A0A087YKU5_POEFO Loading...

Inhibitor of nuclear factor kappa-B kinase subunit alpha

AlphaFold DB , UniProt , Accession A0A087YKU5, Species POEFO (Poecilia formosa, Amazon molly), Gene CHUK, Length 763 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
1M34.9Very low49.6Very low233 Ų233132.6 Ų132.6100%1.14869%0.687SS**  0117.30-82.6175.6170.900106.7K3M1-K3 PolarHBondContact O-N 3.44Å
2E27.4Very low52.6Low194 Ų194123.3 Ų123.391%0.90764%0.637SS**PPolyproline II helixtrans-63.8124.6163.2-76.2176.516000107.2A4E2-A4 PolarHBondContact O-N 3.44Å
3K36.1Very low55.4Low139 Ų139117.8 Ų117.860%0.60463%0.63SS**PPolyproline II helixtrans-64.3122.3178.9-71.3-178.1179.9-1770107.5M1 R20M1-K3 PolarHBondContact O-N 3.44Å; K3-R20 PolarHBondContact NZ-O 3.09Å
4A33.1Very low57.9Low85 Ų85115.3 Ų115.370%0.70262%0.616SS**PPolyproline II helixtrans-54138168.600000109.4E2 F6E2-A4 PolarHBondContact O-N 3.44Å; A4-F6 PolarHBondContact O-N 3.43Å
5P37.4Very low60.2Low104 Ų104108.9 Ų108.968%0.67558%0.58SS**PPolyproline II helixtrans-61.2125.3-175.422.4-31000110.1K7P5-K7 PolarHBondContact O-N 3.44Å
6F47Very low62.3Low90 Ų90105.2 Ų105.240%0.39556%0.558SS.*  trans-68.497.8172.2-159.9-97.9000107.7A4 Q8 L17 Y30A4-F6 PolarHBondContact O-N 3.43Å; F6-Q8 PolarHBondContact O-N 3.23Å; F6-L17 HydrophobicContact CE1-CD2 3.77Å; F6-L17 HydrophobicContact CE1-CG 4.06Å; F6-L17 HydrophobicContact CZ-CD2 3.8Å; F6-L17 HydrophobicContact CZ-CG 4.39Å; F6-Y30 AromaticContact CE2-CE1 3.84Å; F6-Y30 HydrophobicContact CE2-CE1 3.84Å; F6-Y30 HydrophobicContact CZ-CD1 4.5Å; F6-Y30 HydrophobicContact CZ-CE1 4.01Å
7K45.1Very low64Low181 Ų18199.4 Ų99.479%0.78753%0.527SS*.  trans-8976.8-176.8-76.4-175.4175.8-178.10110.5P5P5-K7 PolarHBondContact O-N 3.44Å
8Q55Low65.6Low160 Ų16097.7 Ų97.775%0.74852%0.515SS*.  trans156.2118.5147.7-91.9167.4-15.100109.8F6 Q10F6-Q8 PolarHBondContact O-N 3.23Å; Q8-Q10 PolarHBondContact O-N 3.03Å
9T64.1Low66.8Low94 Ų9496.8 Ų96.858%0.57751%0.507SS*.  trans-65.8112.7163.3-40.80000107E16T9-E16 HydrophobicContact CG2-CB 4.24Å
10Q80.8Confident68Low104 Ų10496.4 Ų96.449%0.48650%0.499SS..EExtended strand (participates in β ladder)trans-102.5125.5176.3-169.2175.5-0.800108.1Q8 F12 L17Q8-Q10 PolarHBondContact O-N 3.03Å; Q10-F12 HydrophobicContact CB-CE2 3.86Å; Q10-F12 HydrophobicContact CB-CZ 4.33Å; Q10-F12 HydrophobicContact CG-CD2 4.37Å; Q10-F12 HydrophobicContact CG-CE1 4.46Å; Q10-F12 HydrophobicContact CG-CE2 3.58Å; Q10-F12 HydrophobicContact CG-CZ 3.64Å; Q10-F12 VanDerWaalsContact NE2-CZ 3.35Å; Q10-L17 HydrophobicContact CB-CB 4.41Å; Q10-L17 HydrophobicContact CB-CD2 4.38Å; Q10-L17 VanDerWaalsContact O-CB 3.3Å; Q10-L17 WeakPolarHBondContact O-CB 3.46Å; Q10-L17 PolarHBondContact O-N 3.06Å
11S84.6Confident69Low75 Ų7594.4 Ų94.452%0.52449%0.489SS..EExtended strand (participates in β ladder)trans-94.7142.7176.5-59.10000110.8W15S11-W15 WeakPolarHBondContact CA-O 3.48Å
12F86.3Confident71.2Confident20 Ų2084.6 Ų84.69%0.08845%0.447CS..EExtended strand (participates in β ladder)trans-133.194.2178.4-64-90.1000106.3Q10 D14 W15 L17 F32 D82 I86Q10-F12 HydrophobicContact CB-CE2 3.86Å; Q10-F12 HydrophobicContact CB-CZ 4.33Å; Q10-F12 HydrophobicContact CG-CD2 4.37Å; Q10-F12 HydrophobicContact CG-CE1 4.46Å; Q10-F12 HydrophobicContact CG-CE2 3.58Å; Q10-F12 HydrophobicContact CG-CZ 3.64Å; Q10-F12 VanDerWaalsContact NE2-CZ 3.35Å; F12-D14 PolarHBondContact O-N 2.74Å; F12-W15 PolarHBondContact N-O 3.32Å; F12-W15 WeakPolarHBondContact O-CB 3.32Å; F12-W15 PolarHBondContact O-N 2.66Å; F12-L17 HydrophobicContact CE2-CB 4.22Å; F12-F32 AromaticContact CD2-CE1 3.79Å; F12-F32 HydrophobicContact CD2-CE1 3.79Å; F12-F32 HydrophobicContact CE2-CE1 4.1Å; F12-D82 VanDerWaalsContact O-CB 3.23Å; F12-D82 WeakPolarHBondContact O-CB 3.29Å; F12-I86 HydrophobicContact CE1-CB 4.07Å; F12-I86 HydrophobicContact CE1-CD1 4.18Å; F12-I86 HydrophobicContact CE1-CG1 4.02Å; F12-I86 HydrophobicContact CE2-CD1 3.8Å; F12-I86 HydrophobicContact CZ-CB 4.25Å; F12-I86 HydrophobicContact CZ-CD1 3.47Å; F12-I86 VanDerWaalsContact CZ-CD1 3.47Å; F12-I86 HydrophobicContact CZ-CG1 3.75Å
13G88.7Confident73.7Confident53 Ų5380.5 Ų80.555%0.54643%0.431SS..THydrogen-bonded Turntrans54.5-126.4-166.800000111W15G13-W15 PolarHBondContact O-N 3.03Å
14D90.2Very high75.3Confident82 Ų8275.9 Ų75.944%0.43942%0.422SS..THydrogen-bonded Turntrans-81.22.6179.4-63.2-27000113.9F12 Q34 S35F12-D14 PolarHBondContact O-N 2.74Å; D14-Q34 HydrophobicContact CB-CG 4.32Å; D14-Q34 CarbonylContact O-C 3.59Å; D14-Q34 WeakPolarHBondContact O-CA 3.46Å; D14-S35 PolarHBondContact O-N 3.18Å; D14-S35 PolarHBondContact O-OG 3.26Å
15W92.9Very high76.9Confident19 Ų1975.3 Ų75.37%0.07242%0.424CS..EExtended strand (participates in β ladder)trans-109.2126.1-176.3-69.287.7000112.5S11 F12 G13 F32 Q34 E39 I41 P80 I83S11-W15 WeakPolarHBondContact CA-O 3.48Å; F12-W15 PolarHBondContact N-O 3.32Å; F12-W15 WeakPolarHBondContact O-CB 3.32Å; F12-W15 PolarHBondContact O-N 2.66Å; G13-W15 PolarHBondContact O-N 3.03Å; W15-F32 HydrophobicContact CB-CD1 4.32Å; W15-F32 HydrophobicContact CE3-CB 3.93Å; W15-Q34 HydrophobicContact CD2-CB 4.06Å; W15-Q34 HydrophobicContact CD2-CG 4.38Å; W15-Q34 HydrophobicContact CE3-CB 3.95Å; W15-Q34 HydrophobicContact CH2-CB 3.94Å; W15-Q34 HydrophobicContact CZ2-CB 4.04Å; W15-Q34 HydrophobicContact CZ2-CG 4.29Å; W15-Q34 HydrophobicContact CZ3-CB 3.88Å; W15-E39 HydrophobicContact CH2-CB 4.43Å; W15-E39 HydrophobicContact CH2-CG 4.25Å; W15-I41 HydrophobicContact CE3-CD1 4.05Å; W15-I41 HydrophobicContact CE3-CG1 4.14Å; W15-I41 HydrophobicContact CH2-CD1 3.9Å; W15-I41 HydrophobicContact CH2-CG1 4.14Å; W15-I41 HydrophobicContact CH2-CG2 3.79Å; W15-I41 HydrophobicContact CZ2-CD1 4.41Å; W15-I41 HydrophobicContact CZ3-CB 4.33Å; W15-I41 HydrophobicContact CZ3-CD1 3.7Å; W15-I41 HydrophobicContact CZ3-CG1 3.61Å; W15-I41 HydrophobicContact CZ3-CG2 3.95Å; W15-P80 HydrophobicContact CD2-CG 4.24Å; W15-P80 HydrophobicContact CZ2-CB 4.5Å; W15-P80 HydrophobicContact CZ2-CG 3.72Å; W15-I83 HydrophobicContact CB-CD1 3.72Å; W15-I83 HydrophobicContact CB-CG1 3.85Å; W15-I83 HydrophobicContact CD2-CD1 3.83Å; W15-I83 HydrophobicContact CE3-CD1 4.2Å; W15-I83 HydrophobicContact CG-CD1 3.63Å; W15-I83 HydrophobicContact CG-CG1 4.01Å
16E92.7Very high78.7Confident50 Ų5074.6 Ų74.623%0.23441%0.411CS..EExtended strand (participates in β ladder)trans-102.3126.1177.7-69.5175.1-154.700111.4T9 K18 F32 Q33 S35T9-E16 HydrophobicContact CG2-CB 4.24Å; E16-K18 HydrophobicContact CB-CD 4.47Å; E16-K18 PolarHBondContact O-N 3.5Å; E16-K18 IonicContact OE2-NZ 3.01Å; E16-K18 PolarHBondContact OE2-NZ 3.33Å; E16-F32 WeakPolarHBondContact O-CA 3.4Å; E16-Q33 PolarHBondContact N-O 3.17Å; E16-Q33 PolarHBondContact O-N 3.18Å; E16-S35 WeakPolarHBondContact CG-OG 3.37Å; E16-S35 PolarHBondContact OE1-OG 3.43Å
17L92.3Very high80.4Confident6 Ų670.6 Ų70.63%0.03139%0.394CS..EExtended strand (participates in β ladder)trans-71.6117.1169177.562.3000109.8F6 Q10 F12 Y30 F32F6-L17 HydrophobicContact CE1-CD2 3.77Å; F6-L17 HydrophobicContact CE1-CG 4.06Å; F6-L17 HydrophobicContact CZ-CD2 3.8Å; F6-L17 HydrophobicContact CZ-CG 4.39Å; Q10-L17 HydrophobicContact CB-CB 4.41Å; Q10-L17 HydrophobicContact CB-CD2 4.38Å; Q10-L17 VanDerWaalsContact O-CB 3.3Å; Q10-L17 WeakPolarHBondContact O-CB 3.46Å; Q10-L17 PolarHBondContact O-N 3.06Å; F12-L17 HydrophobicContact CE2-CB 4.22Å; L17-Y30 HydrophobicContact CD1-CD1 3.77Å; L17-Y30 HydrophobicContact CD1-CG 3.95Å; L17-F32 HydrophobicContact CB-CD1 4.32Å; L17-F32 HydrophobicContact CB-CE1 3.94Å; L17-F32 HydrophobicContact CB-CZ 4.32Å; L17-F32 HydrophobicContact CD1-CD2 4.28Å; L17-F32 HydrophobicContact CD1-CE1 4.15Å; L17-F32 HydrophobicContact CD1-CE2 3.79Å; L17-F32 HydrophobicContact CD1-CZ 3.73Å
18K91.6Very high82.4Confident70 Ų7062.1 Ų62.130%0.30436%0.358SS..EExtended strand (participates in β ladder)trans-96.2-70-176.5-62.3-59.3-172.1-178.60112.8E16 L31 Q33E16-K18 HydrophobicContact CB-CD 4.47Å; E16-K18 PolarHBondContact O-N 3.5Å; E16-K18 IonicContact OE2-NZ 3.01Å; E16-K18 PolarHBondContact OE2-NZ 3.33Å; K18-L31 HydrophobicContact CB-CB 4.34Å; K18-L31 HydrophobicContact CB-CD2 4.06Å; K18-L31 HydrophobicContact CB-CG 4.06Å; K18-L31 HydrophobicContact CG-CG 4.46Å; K18-L31 PolarHBondContact N-O 3.06Å; K18-Q33 HydrophobicContact CD-CB 4.47Å; K18-Q33 VanDerWaalsContact CE-OE1 3.27Å; K18-Q33 HydrophobicContact CG-CB 3.96Å
19E89.6Confident84.1Confident80 Ų8056 Ų5637%0.37433%0.331SS..EExtended strand (participates in β ladder)trans-145.6163.3-175.967.4168169.400112.6L21 Y30 L31E19-L21 HydrophobicContact CG-CD2 4.15Å; E19-Y30 WeakPolarHBondContact O-CA 3.39Å; E19-L31 HydrophobicContact CG-CB 4.1Å; E19-L31 HydrophobicContact CG-CD2 4.13Å; E19-L31 PolarHBondContact O-N 3.41Å
20R89.9Confident85.4Confident89 Ų8952.4 Ų52.434%0.33631%0.307SS..EExtended strand (participates in β ladder)trans-85.6117.4170.8-174.4171.460.1-154.15.4110.2K3 H28 Y30K3-R20 PolarHBondContact NZ-O 3.09Å; R20-H28 VanDerWaalsContact CD-CE1 3.4Å; R20-H28 WeakPolarHBondContact CD-CE1 3.32Å; R20-H28 WeakPolarHBondContact CD-ND1 3.46Å; R20-H28 PolarHBondContact NH1-CE1 3.47Å; R20-Y30 HydrophobicContact CB-CD1 3.89Å; R20-Y30 HydrophobicContact CB-CE1 3.78Å; R20-Y30 HydrophobicContact CG-CD1 4.2Å; R20-Y30 HydrophobicContact CG-CE1 3.95Å
21L88.9Confident86.1Confident54 Ų5447.9 Ų47.928%0.28329%0.286SS..EExtended strand (participates in β ladder)trans-77.2-47.3179.3-62.3179.8000111.3E19 V29 L31 A42 Y98E19-L21 HydrophobicContact CG-CD2 4.15Å; L21-V29 HydrophobicContact CB-CB 4.26Å; L21-V29 HydrophobicContact CB-CG1 4.13Å; L21-V29 HydrophobicContact CD1-CG1 4.16Å; L21-V29 PolarHBondContact N-O 2.87Å; L21-L31 HydrophobicContact CD1-CB 4.05Å; L21-L31 HydrophobicContact CD2-CB 3.98Å; L21-L31 HydrophobicContact CG-CB 3.95Å; L21-A42 HydrophobicContact CD1-CB 3.84Å; L21-Y98 HydrophobicContact CD1-CD2 3.75Å; L21-Y98 HydrophobicContact CD1-CE2 3.84Å; L21-Y98 HydrophobicContact CD2-CD2 4.49Å; L21-Y98 HydrophobicContact CD2-CE2 3.74Å; L21-Y98 HydrophobicContact CG-CE2 4.47Å
22G82.4Confident86.6Confident27 Ų2744.3 Ų44.328%0.27826%0.261SS..EExtended strand (participates in β ladder)trans-154162.3-175.300000114.5V29G22-V29 PolarHBondContact N-O 3.25Å; G22-V29 PolarHBondContact O-N 3Å
23I79.2Confident87Confident109 Ų10944.8 Ų44.856%0.55926%0.264SS*.EExtended strand (participates in β ladder)trans-126.6113.6175-56.6-176.4000107.4H28I23-H28 VanDerWaalsContact CG1-NE2 3.35Å; I23-H28 WeakPolarHBondContact CG1-NE2 3.47Å; I23-H28 VanDerWaalsContact CG2-NE2 3.27Å; I23-H28 WeakPolarHBondContact CG2-NE2 3.41Å
24G69.4Low87.3Confident42 Ų4244 Ų4443%0.43325%0.245SC..  trans-97.5176.616900000111.6F26 A27G24-F26 VanDerWaalsContact C-N 3.27Å; G24-F26 PolarHBondContact O-N 3.04Å; G24-A27 WeakPolarHBondContact CA-O 3.45Å; G24-A27 PolarHBondContact N-O 3.25Å
25G67.6Low87.3Confident72 Ų7242.5 Ų42.574%0.74224%0.242SC*.SBendtrans-60-31.7-177.200000114.8
26F73.9Confident87.2Confident89 Ų8948.9 Ų48.939%0.3927%0.272SS..SBendtrans-128.70.7-178.9-49.8-81.2000114G24 C46 R47 L48 L50G24-F26 VanDerWaalsContact C-N 3.27Å; G24-F26 PolarHBondContact O-N 3.04Å; F26-C46 PolarHBondContact O-SG 3.36Å; F26-C46 VanDerWaalsContact O-SG 3.39Å; F26-R47 PolarHBondContact O-N 3.45Å; F26-L48 HydrophobicContact CB-CD1 4.5Å; F26-L48 HydrophobicContact CD1-CD1 3.66Å; F26-L48 HydrophobicContact CE1-CD1 4.4Å; F26-L50 HydrophobicContact CB-CD2 3.93Å; F26-L50 HydrophobicContact CD1-CD2 4.04Å; F26-L50 HydrophobicContact CG-CD2 4.13Å
27A82.8Confident87.3Confident6 Ų650.5 Ų50.55%0.0529%0.285CS..EExtended strand (participates in β ladder)trans-147.9153-16900000112.5G24 K44 M45 W58G24-A27 WeakPolarHBondContact CA-O 3.45Å; G24-A27 PolarHBondContact N-O 3.25Å; A27-K44 HydrophobicContact CB-CG 4.08Å; A27-M45 CarbonylContact C-O 3.57Å; A27-M45 WeakPolarHBondContact CA-O 3.44Å; A27-M45 WeakPolarHBondContact CB-O 3.48Å; A27-W58 HydrophobicContact CB-CH2 3.81Å; A27-W58 HydrophobicContact CB-CZ3 3.51Å
28H86.9Confident87.3Confident4 Ų455 Ų552%0.01931%0.309CS..EExtended strand (participates in β ladder)trans-114.6151.5169.3-88.7-157.4000111.3R20 I23 Y30 K44 M45 R47R20-H28 VanDerWaalsContact CD-CE1 3.4Å; R20-H28 WeakPolarHBondContact CD-CE1 3.32Å; R20-H28 WeakPolarHBondContact CD-ND1 3.46Å; R20-H28 PolarHBondContact NH1-CE1 3.47Å; I23-H28 VanDerWaalsContact CG1-NE2 3.35Å; I23-H28 WeakPolarHBondContact CG1-NE2 3.47Å; I23-H28 VanDerWaalsContact CG2-NE2 3.27Å; I23-H28 WeakPolarHBondContact CG2-NE2 3.41Å; H28-Y30 HydrophobicContact CB-CD2 3.99Å; H28-Y30 HydrophobicContact CB-CE2 3.32Å; H28-Y30 AromaticContact ND1-CE2 3.96Å; H28-Y30 AromaticContact ND1-CZ 3.68Å; H28-Y30 PolarHBondContact ND1-OH 2.95Å; H28-Y30 VanDerWaalsContact ND1-OH 3.12Å; H28-K44 CarbonylContact O-C 3.6Å; H28-K44 VanDerWaalsContact O-CA 3.31Å; H28-K44 WeakPolarHBondContact O-CA 3.22Å; H28-M45 HydrophobicContact CB-CG 4.36Å; H28-M45 PolarHBondContact N-O 3.46Å; H28-M45 PolarHBondContact O-N 3.02Å; H28-R47 WeakPolarHBondContact CD2-CD 3.28Å; H28-R47 PolarHBondContact CD2-NE 2.95Å; H28-R47 PolarHBondContact CE1-NE 3.14Å; H28-R47 VanDerWaalsContact CE1-NE 3.34Å; H28-R47 PolarHBondContact CE1-NH1 3.33Å; H28-R47 PolarHBondContact CE1-NH2 2.75Å; H28-R47 PolarHBondContact ND1-NE 3.16Å; H28-R47 VanDerWaalsContact ND1-NE 3.13Å; H28-R47 PolarHBondContact ND1-NH2 3.19Å; H28-R47 PolarHBondContact NE2-NE 3.26Å; H28-R47 PolarHBondContact NE2-NH1 2.91Å
29V90.9Very high87.4Confident30 Ų3055.6 Ų55.618%0.18231%0.313CS..EExtended strand (participates in β ladder)trans-114.2128.1173.7-169.70000108.8L21 G22 A42 V43 K44L21-V29 HydrophobicContact CB-CB 4.26Å; L21-V29 HydrophobicContact CB-CG1 4.13Å; L21-V29 HydrophobicContact CD1-CG1 4.16Å; L21-V29 PolarHBondContact N-O 2.87Å; G22-V29 PolarHBondContact N-O 3.25Å; G22-V29 PolarHBondContact O-N 3Å; V29-A42 HydrophobicContact CG1-CB 4.07Å; V29-V43 WeakPolarHBondContact CA-O 3.26Å; V29-K44 HydrophobicContact CG2-CB 4.2Å; V29-K44 HydrophobicContact CG2-CG 3.91Å
30Y92.1Very high87.7Confident20 Ų2055.9 Ų55.98%0.07831%0.313CS..EExtended strand (participates in β ladder)trans-122.5146.6-179.5-68.2-87.7000111.3F6 L17 E19 R20 H28 A42 V43 M45 R47F6-Y30 AromaticContact CE2-CE1 3.84Å; F6-Y30 HydrophobicContact CE2-CE1 3.84Å; F6-Y30 HydrophobicContact CZ-CD1 4.5Å; F6-Y30 HydrophobicContact CZ-CE1 4.01Å; L17-Y30 HydrophobicContact CD1-CD1 3.77Å; L17-Y30 HydrophobicContact CD1-CG 3.95Å; E19-Y30 WeakPolarHBondContact O-CA 3.39Å; R20-Y30 HydrophobicContact CB-CD1 3.89Å; R20-Y30 HydrophobicContact CB-CE1 3.78Å; R20-Y30 HydrophobicContact CG-CD1 4.2Å; R20-Y30 HydrophobicContact CG-CE1 3.95Å; H28-Y30 HydrophobicContact CB-CD2 3.99Å; H28-Y30 HydrophobicContact CB-CE2 3.32Å; H28-Y30 AromaticContact ND1-CE2 3.96Å; H28-Y30 AromaticContact ND1-CZ 3.68Å; H28-Y30 PolarHBondContact ND1-OH 2.95Å; H28-Y30 VanDerWaalsContact ND1-OH 3.12Å; Y30-A42 CarbonylContact O-C 3.59Å; Y30-A42 WeakPolarHBondContact O-CA 3.48Å; Y30-V43 PolarHBondContact N-O 3.4Å; Y30-V43 PolarHBondContact O-N 3.08Å; Y30-M45 HydrophobicContact CD2-CE 3.39Å; Y30-M45 HydrophobicContact CD2-CG 4.03Å; Y30-M45 HydrophobicContact CD2-SD 3.53Å; Y30-M45 VanDerWaalsContact CD2-SD 3.53Å; Y30-M45 HydrophobicContact CE2-CE 3.87Å; Y30-M45 HydrophobicContact CE2-CG 3.92Å; Y30-M45 HydrophobicContact CE2-SD 3.33Å; Y30-M45 WeakPolarHBondContact CE2-SD 3.39Å; Y30-M45 HydrophobicContact CG-CE 4.22Å; Y30-R47 PolarHBondContact OH-NH2 3.38Å; Y30-R47 VanDerWaalsContact OH-NH2 3.15Å
31L94.9Very high88Confident8 Ų851.8 Ų51.84%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-87.6125.1171.7176.759.5000109.5K18 E19 L21 K40 Y98K18-L31 HydrophobicContact CB-CB 4.34Å; K18-L31 HydrophobicContact CB-CD2 4.06Å; K18-L31 HydrophobicContact CB-CG 4.06Å; K18-L31 HydrophobicContact CG-CG 4.46Å; K18-L31 PolarHBondContact N-O 3.06Å; E19-L31 HydrophobicContact CG-CB 4.1Å; E19-L31 HydrophobicContact CG-CD2 4.13Å; E19-L31 PolarHBondContact O-N 3.41Å; L21-L31 HydrophobicContact CD1-CB 4.05Å; L21-L31 HydrophobicContact CD2-CB 3.98Å; L21-L31 HydrophobicContact CG-CB 3.95Å; L31-K40 HydrophobicContact CD1-CB 3.99Å; L31-K40 HydrophobicContact CD1-CD 4.35Å; L31-K40 HydrophobicContact CD1-CG 4.3Å; L31-Y98 HydrophobicContact CD1-CD1 3.85Å; L31-Y98 HydrophobicContact CD1-CD2 3.62Å; L31-Y98 HydrophobicContact CD1-CE1 4.12Å; L31-Y98 HydrophobicContact CD1-CE2 3.92Å; L31-Y98 HydrophobicContact CD1-CG 3.57Å; L31-Y98 HydrophobicContact CD2-CE1 4.37Å; L31-Y98 HydrophobicContact CD2-CE2 4.29Å
32F94.7Very high88.3Confident0 Ų049.6 Ų49.60%029%0.288CS..EExtended strand (participates in β ladder)trans-112.6146.1168-73.8-100.2000109.9F12 W15 E16 L17 K40 I41 V43 M45 I83 I86F12-F32 AromaticContact CD2-CE1 3.79Å; F12-F32 HydrophobicContact CD2-CE1 3.79Å; F12-F32 HydrophobicContact CE2-CE1 4.1Å; W15-F32 HydrophobicContact CB-CD1 4.32Å; W15-F32 HydrophobicContact CE3-CB 3.93Å; E16-F32 WeakPolarHBondContact O-CA 3.4Å; L17-F32 HydrophobicContact CB-CD1 4.32Å; L17-F32 HydrophobicContact CB-CE1 3.94Å; L17-F32 HydrophobicContact CB-CZ 4.32Å; L17-F32 HydrophobicContact CD1-CD2 4.28Å; L17-F32 HydrophobicContact CD1-CE1 4.15Å; L17-F32 HydrophobicContact CD1-CE2 3.79Å; L17-F32 HydrophobicContact CD1-CZ 3.73Å; F32-K40 WeakPolarHBondContact O-CA 3.44Å; F32-I41 HydrophobicContact CB-CD1 4.35Å; F32-I41 HydrophobicContact CB-CG1 3.78Å; F32-I41 PolarHBondContact N-O 3.09Å; F32-I41 PolarHBondContact O-N 2.96Å; F32-V43 HydrophobicContact CD2-CB 3.87Å; F32-V43 HydrophobicContact CD2-CG2 3.53Å; F32-V43 HydrophobicContact CE2-CB 3.82Å; F32-V43 HydrophobicContact CE2-CG1 4.47Å; F32-V43 HydrophobicContact CE2-CG2 3.9Å; F32-V43 HydrophobicContact CG-CG2 4.32Å; F32-M45 HydrophobicContact CE2-CE 4.48Å; F32-I83 HydrophobicContact CB-CD1 4.18Å; F32-I83 HydrophobicContact CD1-CD1 3.73Å; F32-I83 HydrophobicContact CD1-CG1 4.21Å; F32-I83 HydrophobicContact CE1-CD1 4.19Å; F32-I83 HydrophobicContact CE1-CG1 4.25Å; F32-I83 HydrophobicContact CE1-CG2 4.07Å; F32-I83 HydrophobicContact CE2-CG2 4.37Å; F32-I83 HydrophobicContact CG-CD1 3.93Å; F32-I83 HydrophobicContact CZ-CG2 3.95Å; F32-I86 HydrophobicContact CZ-CD1 3.78Å
33Q95.2Very high88.8Confident31 Ų3148.3 Ų48.315%0.14527%0.274CS..EExtended strand (participates in β ladder)trans-131.6129.5175.6179.6176.5-19.600109.7E16 K18 N38 E39 K40E16-Q33 PolarHBondContact N-O 3.17Å; E16-Q33 PolarHBondContact O-N 3.18Å; K18-Q33 HydrophobicContact CD-CB 4.47Å; K18-Q33 VanDerWaalsContact CE-OE1 3.27Å; K18-Q33 HydrophobicContact CG-CB 3.96Å; Q33-N38 PolarHBondContact NE2-OD1 2.77Å; Q33-E39 CarbonylContact C-O 3.57Å; Q33-E39 VanDerWaalsContact CA-O 3.24Å; Q33-E39 WeakPolarHBondContact CA-O 3.39Å; Q33-K40 HydrophobicContact CB-CG 4.15Å; Q33-K40 HydrophobicContact CG-CG 4.07Å
34Q94.6Very high89.4Confident35 Ų3544.1 Ų44.116%0.16425%0.252CS..EExtended strand (participates in β ladder)trans-73.7131.7174-163.9-176.222.100109.7D14 W15 E36 T37 N38 E39D14-Q34 HydrophobicContact CB-CG 4.32Å; D14-Q34 CarbonylContact O-C 3.59Å; D14-Q34 WeakPolarHBondContact O-CA 3.46Å; W15-Q34 HydrophobicContact CD2-CB 4.06Å; W15-Q34 HydrophobicContact CD2-CG 4.38Å; W15-Q34 HydrophobicContact CE3-CB 3.95Å; W15-Q34 HydrophobicContact CH2-CB 3.94Å; W15-Q34 HydrophobicContact CZ2-CB 4.04Å; W15-Q34 HydrophobicContact CZ2-CG 4.29Å; W15-Q34 HydrophobicContact CZ3-CB 3.88Å; Q34-E36 PolarHBondContact O-N 3.31Å; Q34-T37 PolarHBondContact OE1-OG1 3.4Å; Q34-N38 VanDerWaalsContact O-CA 3.29Å; Q34-N38 WeakPolarHBondContact O-CA 3.37Å; Q34-N38 PolarHBondContact O-N 2.92Å; Q34-N38 VanDerWaalsContact O-N 3.11Å; Q34-E39 HydrophobicContact CB-CB 4.34Å; Q34-E39 PolarHBondContact N-O 3.12Å
35S90.8Very high90.4Very high51 Ų5142.4 Ų42.436%0.35723%0.233SC..THydrogen-bonded Turntrans-66.1-36.5-171.5-600000113.3D14 E16D14-S35 PolarHBondContact O-N 3.18Å; D14-S35 PolarHBondContact O-OG 3.26Å; E16-S35 WeakPolarHBondContact CG-OG 3.37Å; E16-S35 PolarHBondContact OE1-OG 3.43Å
36E91.5Very high91.2Very high154 Ų15439.2 Ų39.272%0.7220%0.199SC*.THydrogen-bonded Turntrans-84.6-50.5-176.6-61.2-168.3159.200113.6Q34Q34-E36 PolarHBondContact O-N 3.31Å
37T93.3Very high91.1Very high83 Ų8339.9 Ų39.951%0.50920%0.199SC..THydrogen-bonded Turntrans-85.7-14.4-173.667.50000113.1Q34 E39Q34-T37 PolarHBondContact OE1-OG1 3.4Å; T37-E39 PolarHBondContact O-N 3.17Å; T37-E39 VanDerWaalsContact OG1-CB 3.22Å; T37-E39 WeakPolarHBondContact OG1-CB 3.4Å; T37-E39 PolarHBondContact OG1-N 3.04Å
38N92.7Very high90.6Very high100 Ų10043.7 Ų43.754%0.53522%0.218SC..  trans57.618-165.4-63.7-72.3000114.3Q33 Q34 K40Q33-N38 PolarHBondContact NE2-OD1 2.77Å; Q34-N38 VanDerWaalsContact O-CA 3.29Å; Q34-N38 WeakPolarHBondContact O-CA 3.37Å; Q34-N38 PolarHBondContact O-N 2.92Å; Q34-N38 VanDerWaalsContact O-N 3.11Å; N38-K40 PolarHBondContact O-N 3.42Å
39E93.8Very high89.8Confident83 Ų8350.7 Ų50.739%0.38826%0.256SS..  trans-60.3137.4172.6-177.8174.5-179.500110.2W15 Q33 Q34 T37 K77W15-E39 HydrophobicContact CH2-CB 4.43Å; W15-E39 HydrophobicContact CH2-CG 4.25Å; Q33-E39 CarbonylContact C-O 3.57Å; Q33-E39 VanDerWaalsContact CA-O 3.24Å; Q33-E39 WeakPolarHBondContact CA-O 3.39Å; Q34-E39 HydrophobicContact CB-CB 4.34Å; Q34-E39 PolarHBondContact N-O 3.12Å; T37-E39 PolarHBondContact O-N 3.17Å; T37-E39 VanDerWaalsContact OG1-CB 3.22Å; T37-E39 WeakPolarHBondContact OG1-CB 3.4Å; T37-E39 PolarHBondContact OG1-N 3.04Å; E39-K77 IonicContact OE1-NZ 2.72Å; E39-K77 PolarHBondContact OE1-NZ 3.35Å
40K95.4Very high89.1Confident86 Ų8650.2 Ų50.237%0.37425%0.252SS..EExtended strand (participates in β ladder)trans-116.1137.8179-69179.1-176.3179.90111.3L31 F32 Q33 N38 Y98L31-K40 HydrophobicContact CD1-CB 3.99Å; L31-K40 HydrophobicContact CD1-CD 4.35Å; L31-K40 HydrophobicContact CD1-CG 4.3Å; F32-K40 WeakPolarHBondContact O-CA 3.44Å; Q33-K40 HydrophobicContact CB-CG 4.15Å; Q33-K40 HydrophobicContact CG-CG 4.07Å; N38-K40 PolarHBondContact O-N 3.42Å; K40-Y98 HydrophobicContact CB-CD1 3.69Å; K40-Y98 HydrophobicContact CB-CG 4.13Å; K40-Y98 HydrophobicContact CD-CD1 3.75Å; K40-Y98 HydrophobicContact CD-CE1 3.86Å; K40-Y98 HydrophobicContact CG-CD1 4.35Å
41I95.9Very high88.5Confident4 Ų452.9 Ų52.92%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-133.5150.7174.867.8177000110.8W15 F32 V43 K77 P80 I83 A95 M96W15-I41 HydrophobicContact CE3-CD1 4.05Å; W15-I41 HydrophobicContact CE3-CG1 4.14Å; W15-I41 HydrophobicContact CH2-CD1 3.9Å; W15-I41 HydrophobicContact CH2-CG1 4.14Å; W15-I41 HydrophobicContact CH2-CG2 3.79Å; W15-I41 HydrophobicContact CZ2-CD1 4.41Å; W15-I41 HydrophobicContact CZ3-CB 4.33Å; W15-I41 HydrophobicContact CZ3-CD1 3.7Å; W15-I41 HydrophobicContact CZ3-CG1 3.61Å; W15-I41 HydrophobicContact CZ3-CG2 3.95Å; F32-I41 HydrophobicContact CB-CD1 4.35Å; F32-I41 HydrophobicContact CB-CG1 3.78Å; F32-I41 PolarHBondContact N-O 3.09Å; F32-I41 PolarHBondContact O-N 2.96Å; I41-V43 HydrophobicContact CD1-CG2 3.87Å; I41-V43 HydrophobicContact CG1-CG2 4.02Å; I41-K77 HydrophobicContact CG2-CD 3.6Å; I41-P80 HydrophobicContact CD1-CG 3.92Å; I41-I83 HydrophobicContact CD1-CD1 3.88Å; I41-A95 HydrophobicContact CD1-CB 4.5Å; I41-M96 WeakPolarHBondContact CA-O 3.36Å
42A95.9Very high87.8Confident7 Ų757.4 Ų57.46%0.05830%0.3CS..EExtended strand (participates in β ladder)trans-101.7124.8170.400000109.2L21 V29 Y30 A95 M96L21-A42 HydrophobicContact CD1-CB 3.84Å; V29-A42 HydrophobicContact CG1-CB 4.07Å; Y30-A42 CarbonylContact O-C 3.59Å; Y30-A42 WeakPolarHBondContact O-CA 3.48Å; A42-A95 CarbonylContact O-C 3.56Å; A42-A95 WeakPolarHBondContact O-CA 3.44Å; A42-M96 PolarHBondContact N-O 3.22Å; A42-M96 PolarHBondContact O-N 2.7Å
43V93.9Very high87Confident0 Ų066.5 Ų66.50%034%0.335CS..EExtended strand (participates in β ladder)trans-113.8116.5-179.6-176.90000109.5V29 Y30 F32 I41 L93 L94 A95V29-V43 WeakPolarHBondContact CA-O 3.26Å; Y30-V43 PolarHBondContact N-O 3.4Å; Y30-V43 PolarHBondContact O-N 3.08Å; F32-V43 HydrophobicContact CD2-CB 3.87Å; F32-V43 HydrophobicContact CD2-CG2 3.53Å; F32-V43 HydrophobicContact CE2-CB 3.82Å; F32-V43 HydrophobicContact CE2-CG1 4.47Å; F32-V43 HydrophobicContact CE2-CG2 3.9Å; F32-V43 HydrophobicContact CG-CG2 4.32Å; I41-V43 HydrophobicContact CD1-CG2 3.87Å; I41-V43 HydrophobicContact CG1-CG2 4.02Å; V43-L93 HydrophobicContact CG1-CB 4.23Å; V43-L93 HydrophobicContact CG1-CD1 4.33Å; V43-L93 HydrophobicContact CG1-CD2 4.5Å; V43-L94 WeakPolarHBondContact CA-O 3.44Å; V43-A95 HydrophobicContact CG2-CB 4.43Å
44K91.5Very high86.2Confident22 Ų2266.9 Ų66.910%0.09634%0.338CS..EExtended strand (participates in β ladder)trans-90.9124.3173.8-164.6-172.1-166.8-177.80108.6A27 H28 V29 W58 E61 L94 M96 D166A27-K44 HydrophobicContact CB-CG 4.08Å; H28-K44 CarbonylContact O-C 3.6Å; H28-K44 VanDerWaalsContact O-CA 3.31Å; H28-K44 WeakPolarHBondContact O-CA 3.22Å; V29-K44 HydrophobicContact CG2-CB 4.2Å; V29-K44 HydrophobicContact CG2-CG 3.91Å; K44-W58 HydrophobicContact CB-CH2 4.38Å; K44-W58 HydrophobicContact CD-CH2 4.06Å; K44-W58 HydrophobicContact CD-CZ3 4.06Å; K44-W58 HydrophobicContact CG-CH2 3.8Å; K44-W58 HydrophobicContact CG-CZ3 4.21Å; K44-E61 IonicContact NZ-OE1 3.71Å; K44-E61 PolarHBondContact NZ-OE1 2.84Å; K44-E61 IonicContact NZ-OE2 3.55Å; K44-E61 PolarHBondContact NZ-OE2 3.18Å; K44-L94 HydrophobicContact CB-CB 4.19Å; K44-L94 HydrophobicContact CD-CD2 4.37Å; K44-L94 PolarHBondContact N-O 3.34Å; K44-L94 PolarHBondContact O-N 2.86Å; K44-L94 VanDerWaalsContact O-N 3.11Å; K44-M96 HydrophobicContact CB-CE 4.02Å; K44-D166 IonicContact NZ-OD1 3.89Å; K44-D166 PolarHBondContact NZ-OD1 3.48Å
45M89.2Confident85.6Confident6 Ų669.2 Ų69.23%0.0335%0.345CS..EExtended strand (participates in β ladder)trans-125.9133.3-178.861.8-174.663.900111A27 H28 Y30 F32 I86 L93A27-M45 CarbonylContact C-O 3.57Å; A27-M45 WeakPolarHBondContact CA-O 3.44Å; A27-M45 WeakPolarHBondContact CB-O 3.48Å; H28-M45 HydrophobicContact CB-CG 4.36Å; H28-M45 PolarHBondContact N-O 3.46Å; H28-M45 PolarHBondContact O-N 3.02Å; Y30-M45 HydrophobicContact CD2-CE 3.39Å; Y30-M45 HydrophobicContact CD2-CG 4.03Å; Y30-M45 HydrophobicContact CD2-SD 3.53Å; Y30-M45 VanDerWaalsContact CD2-SD 3.53Å; Y30-M45 HydrophobicContact CE2-CE 3.87Å; Y30-M45 HydrophobicContact CE2-CG 3.92Å; Y30-M45 HydrophobicContact CE2-SD 3.33Å; Y30-M45 WeakPolarHBondContact CE2-SD 3.39Å; Y30-M45 HydrophobicContact CG-CE 4.22Å; F32-M45 HydrophobicContact CE2-CE 4.48Å; M45-I86 HydrophobicContact CE-CD1 3.9Å; M45-I86 HydrophobicContact CE-CG1 4.4Å; M45-I86 HydrophobicContact CE-CG2 3.9Å; M45-L93 HydrophobicContact CB-CD2 3.72Å
46C84.3Confident85.2Confident4 Ų471.7 Ų71.73%0.02735%0.354CS..EExtended strand (participates in β ladder)trans-75.7145.7175.5-170.90000110.8F26 L50 W58 L91F26-C46 PolarHBondContact O-SG 3.36Å; F26-C46 VanDerWaalsContact O-SG 3.39Å; C46-L50 VanDerWaalsContact SG-CD1 3.58Å; C46-L50 VanDerWaalsContact SG-CG 3.56Å; C46-W58 HydrophobicContact CB-CD2 4.22Å; C46-W58 HydrophobicContact CB-CE3 4.33Å; C46-W58 HydrophobicContact CB-CH2 4Å; C46-W58 HydrophobicContact CB-CZ2 3.91Å; C46-W58 HydrophobicContact CB-CZ3 4.23Å; C46-L91 HydrophobicContact CB-CB 4.49Å; C46-L91 HydrophobicContact CB-CD1 3.77Å
47R72.6Confident84.6Confident104 Ų10467.8 Ų67.839%0.39233%0.333SS..  trans-117-18.6-171.4-62.4-179.8135.6-129.8-16.4115.2F26 H28 Y30 L88F26-R47 PolarHBondContact O-N 3.45Å; H28-R47 WeakPolarHBondContact CD2-CD 3.28Å; H28-R47 PolarHBondContact CD2-NE 2.95Å; H28-R47 PolarHBondContact CE1-NE 3.14Å; H28-R47 VanDerWaalsContact CE1-NE 3.34Å; H28-R47 PolarHBondContact CE1-NH1 3.33Å; H28-R47 PolarHBondContact CE1-NH2 2.75Å; H28-R47 PolarHBondContact ND1-NE 3.16Å; H28-R47 VanDerWaalsContact ND1-NE 3.13Å; H28-R47 PolarHBondContact ND1-NH2 3.19Å; H28-R47 PolarHBondContact NE2-NE 3.26Å; H28-R47 PolarHBondContact NE2-NH1 2.91Å; Y30-R47 PolarHBondContact OH-NH2 3.38Å; Y30-R47 VanDerWaalsContact OH-NH2 3.15Å; R47-L88 HydrophobicContact CG-CD1 4.2Å
48L72.4Confident84.2Confident86 Ų8664.5 Ų64.545%0.4531%0.311SS..SBendtrans-116.5148.2-169.3-66.1175.1000108.3F26 L50 N89F26-L48 HydrophobicContact CB-CD1 4.5Å; F26-L48 HydrophobicContact CD1-CD1 3.66Å; F26-L48 HydrophobicContact CE1-CD1 4.4Å; L48-L50 HydrophobicContact CB-CD2 4.3Å; L48-L50 PolarHBondContact O-N 3.26Å; L48-N89 PolarHBondContact O-ND2 3.02Å
49D70.4Confident83.9Confident150 Ų15061.7 Ų61.780%0.80230%0.299SS*.  trans-64.2104161.7-71-36.6000107.8
50L74.9Confident83.4Confident20 Ų2062.2 Ų62.211%0.10530%0.297CS..  trans-75.3139.9-176.5-63.2-172.9000110F26 C46 L48 N54 R55 W58 L91F26-L50 HydrophobicContact CB-CD2 3.93Å; F26-L50 HydrophobicContact CD1-CD2 4.04Å; F26-L50 HydrophobicContact CG-CD2 4.13Å; C46-L50 VanDerWaalsContact SG-CD1 3.58Å; C46-L50 VanDerWaalsContact SG-CG 3.56Å; L48-L50 HydrophobicContact CB-CD2 4.3Å; L48-L50 PolarHBondContact O-N 3.26Å; L50-N54 HydrophobicContact CB-CB 3.87Å; L50-N54 HydrophobicContact CD1-CB 4.23Å; L50-N54 WeakPolarHBondContact CD1-O 3.17Å; L50-N54 HydrophobicContact CD2-CB 4.09Å; L50-N54 HydrophobicContact CG-CB 4.29Å; L50-R55 HydrophobicContact CB-CB 4.27Å; L50-W58 HydrophobicContact CD1-CB 3.99Å; L50-W58 HydrophobicContact CD1-CG 4.48Å; L50-L91 HydrophobicContact CB-CD1 4.44Å; L50-L91 HydrophobicContact CD1-CD1 3.5Å; L50-L91 VanDerWaalsContact CD1-CD1 3.5Å; L50-L91 HydrophobicContact CG-CD1 3.8Å
51T79.8Confident83.1Confident76 Ų7658.7 Ų58.747%0.46628%0.282SS..  trans-55154162.263.60000109.7R53 N54 R55T51-R53 PolarHBondContact O-N 3.31Å; T51-R53 VanDerWaalsContact O-N 3.11Å; T51-N54 PolarHBondContact O-N 2.98Å; T51-N54 PolarHBondContact OG1-N 3.24Å; T51-N54 PolarHBondContact OG1-ND2 2.93Å; T51-R55 PolarHBondContact O-N 3.43Å
52P81.2Confident82.7Confident103 Ų10359.2 Ų59.267%0.66929%0.285SS*.Hα-helixtrans-50-42.7179.6-29.235.1000112.9N54 R55 D56P52-N54 PolarHBondContact O-N 3.27Å; P52-R55 WeakPolarHBondContact O-CB 3.42Å; P52-R55 PolarHBondContact O-N 3.32Å; P52-D56 PolarHBondContact O-N 3.49Å
53R77.8Confident82.4Confident192 Ų19264.5 Ų64.573%0.72531%0.308SS*.Hα-helixtrans-60.4-40.2176-174.2179.7179.9-175.40.6113.5T51 R57T51-R53 PolarHBondContact O-N 3.31Å; T51-R53 VanDerWaalsContact O-N 3.11Å; R53-R57 WeakPolarHBondContact O-CB 3.36Å; R53-R57 PolarHBondContact O-N 3.48Å
54N78Confident82.2Confident38 Ų3865.1 Ų65.120%0.20331%0.311CS..Hα-helixtrans-76.8-31.7179-74.2-14.7000111.7L50 T51 P52 R57 W58L50-N54 HydrophobicContact CB-CB 3.87Å; L50-N54 HydrophobicContact CD1-CB 4.23Å; L50-N54 WeakPolarHBondContact CD1-O 3.17Å; L50-N54 HydrophobicContact CD2-CB 4.09Å; L50-N54 HydrophobicContact CG-CB 4.29Å; T51-N54 PolarHBondContact O-N 2.98Å; T51-N54 PolarHBondContact OG1-N 3.24Å; T51-N54 PolarHBondContact OG1-ND2 2.93Å; P52-N54 PolarHBondContact O-N 3.27Å; N54-R57 WeakPolarHBondContact O-CB 3.47Å; N54-R57 PolarHBondContact O-N 2.9Å; N54-W58 PolarHBondContact O-N 3.35Å
55R83Confident82.2Confident85 Ų8564.1 Ų64.132%0.32131%0.307SS..Hα-helixtrans-61.9-48.7170.9172.2175.5-62.1-110.68.7111.1L50 T51 P52 R57 W58 C59 L91L50-R55 HydrophobicContact CB-CB 4.27Å; T51-R55 PolarHBondContact O-N 3.43Å; P52-R55 WeakPolarHBondContact O-CB 3.42Å; P52-R55 PolarHBondContact O-N 3.32Å; R55-R57 PolarHBondContact O-N 3.35Å; R55-W58 WeakPolarHBondContact O-CB 3.42Å; R55-W58 PolarHBondContact O-N 3.01Å; R55-W58 VanDerWaalsContact O-N 3.16Å; R55-C59 PolarHBondContact O-N 3.38Å; R55-C59 PolarHBondContact O-SG 3.01Å; R55-L91 HydrophobicContact CB-CD2 4.3Å; R55-L91 HydrophobicContact CG-CD2 3.63Å
56D81.7Confident82.3Confident103 Ų10368.3 Ų68.355%0.55133%0.325SS*.Hα-helixtrans-58.3-38.8176.1-69-18.1000111.6P52 R60P52-D56 PolarHBondContact O-N 3.49Å; D56-R60 WeakPolarHBondContact O-CB 3.28Å; D56-R60 PolarHBondContact O-N 2.89Å
57R79.3Confident82.6Confident71 Ų7175 Ų7527%0.26835%0.354SS..Hα-helixtrans-66.1-41.8177.8-171.5172.8178.1-152.9-31.9112.6R53 N54 R55 R60 E61 G168 Y169R53-R57 WeakPolarHBondContact O-CB 3.36Å; R53-R57 PolarHBondContact O-N 3.48Å; N54-R57 WeakPolarHBondContact O-CB 3.47Å; N54-R57 PolarHBondContact O-N 2.9Å; R55-R57 PolarHBondContact O-N 3.35Å; R57-R60 PolarHBondContact O-N 3.17Å; R57-E61 PolarHBondContact O-N 3.1Å; R57-G168 PolarHBondContact NE-O 3.28Å; R57-G168 PolarHBondContact NH2-O 3.48Å; R57-Y169 VanDerWaalsContact CZ-CD1 3.43Å; R57-Y169 VanDerWaalsContact CZ-CE1 3.45Å; R57-Y169 VanDerWaalsContact NH2-CZ 3.27Å
58W84.4Confident83.7Confident15 Ų1570.2 Ų70.26%0.05734%0.336CS..Hα-helixtrans-62.9-50.1174.9-179.6-94.3000111.9A27 K44 C46 L50 N54 R55 R60 E61 I62 P92A27-W58 HydrophobicContact CB-CH2 3.81Å; A27-W58 HydrophobicContact CB-CZ3 3.51Å; K44-W58 HydrophobicContact CB-CH2 4.38Å; K44-W58 HydrophobicContact CD-CH2 4.06Å; K44-W58 HydrophobicContact CD-CZ3 4.06Å; K44-W58 HydrophobicContact CG-CH2 3.8Å; K44-W58 HydrophobicContact CG-CZ3 4.21Å; C46-W58 HydrophobicContact CB-CD2 4.22Å; C46-W58 HydrophobicContact CB-CE3 4.33Å; C46-W58 HydrophobicContact CB-CH2 4Å; C46-W58 HydrophobicContact CB-CZ2 3.91Å; C46-W58 HydrophobicContact CB-CZ3 4.23Å; L50-W58 HydrophobicContact CD1-CB 3.99Å; L50-W58 HydrophobicContact CD1-CG 4.48Å; N54-W58 PolarHBondContact O-N 3.35Å; R55-W58 WeakPolarHBondContact O-CB 3.42Å; R55-W58 PolarHBondContact O-N 3.01Å; R55-W58 VanDerWaalsContact O-N 3.16Å; W58-R60 VanDerWaalsContact C-N 3.26Å; W58-R60 PolarHBondContact O-N 3.1Å; W58-E61 WeakPolarHBondContact O-CB 3.34Å; W58-E61 PolarHBondContact O-N 3.37Å; W58-I62 PolarHBondContact O-N 2.98Å; W58-P92 PolarHBondContact NE1-O 3.32Å
59C85.9Confident84.7Confident41 Ų4172.2 Ų72.228%0.27734%0.343SS..Hα-helixtrans-60.2-39.1177-66.60000111.6R55 I62 Q63R55-C59 PolarHBondContact O-N 3.38Å; R55-C59 PolarHBondContact O-SG 3.01Å; C59-I62 PolarHBondContact O-N 3.14Å; C59-Q63 VanDerWaalsContact O-CG 3.27Å; C59-Q63 WeakPolarHBondContact O-CG 3.26Å; C59-Q63 PolarHBondContact O-N 3.49Å
60R84.4Confident86Confident93 Ų9367.2 Ų67.235%0.35131%0.314SS..Hα-helixtrans-65.3-42.1176.6-172.6177.2-60.7-164.5-2112.6D56 R57 W58 I62 Q63 I64D56-R60 WeakPolarHBondContact O-CB 3.28Å; D56-R60 PolarHBondContact O-N 2.89Å; R57-R60 PolarHBondContact O-N 3.17Å; W58-R60 VanDerWaalsContact C-N 3.26Å; W58-R60 PolarHBondContact O-N 3.1Å; R60-I62 VanDerWaalsContact C-N 3.3Å; R60-I62 PolarHBondContact O-N 3.39Å; R60-Q63 PolarHBondContact O-N 3.2Å; R60-I64 HydrophobicContact CG-CD1 3.92Å; R60-I64 HydrophobicContact CG-CG1 4.38Å; R60-I64 VanDerWaalsContact O-CG1 3.32Å; R60-I64 WeakPolarHBondContact O-CG1 3.47Å; R60-I64 PolarHBondContact O-N 3.03Å
61E87.7Confident87Confident12 Ų1272.3 Ų72.36%0.05634%0.342CS..Hα-helixtrans-55.1-49175-178.5-179.9175.300110.5K44 R57 W58 Q63 I64 M65 L94 G168K44-E61 IonicContact NZ-OE1 3.71Å; K44-E61 PolarHBondContact NZ-OE1 2.84Å; K44-E61 IonicContact NZ-OE2 3.55Å; K44-E61 PolarHBondContact NZ-OE2 3.18Å; R57-E61 PolarHBondContact O-N 3.1Å; W58-E61 WeakPolarHBondContact O-CB 3.34Å; W58-E61 PolarHBondContact O-N 3.37Å; E61-Q63 PolarHBondContact O-N 3.45Å; E61-I64 PolarHBondContact O-N 2.93Å; E61-M65 HydrophobicContact CG-CG 4.37Å; E61-M65 WeakPolarHBondContact O-CB 3.35Å; E61-M65 VanDerWaalsContact O-CG 3.24Å; E61-M65 WeakPolarHBondContact O-CG 3.49Å; E61-M65 PolarHBondContact O-N 3.44Å; E61-L94 HydrophobicContact CG-CD2 4.49Å; E61-G168 VanDerWaalsContact OE2-CA 3.23Å; E61-G168 WeakPolarHBondContact OE2-CA 3.38Å
62I89.2Confident87.8Confident15 Ų1569.1 Ų69.18%0.07732%0.322CS..Hα-helixtrans-62.4-44.7179.1-67.1168.1000111.3W58 C59 R60 I64 M65 K66 P92 L94W58-I62 PolarHBondContact O-N 2.98Å; C59-I62 PolarHBondContact O-N 3.14Å; R60-I62 VanDerWaalsContact C-N 3.3Å; R60-I62 PolarHBondContact O-N 3.39Å; I62-I64 VanDerWaalsContact C-N 3.33Å; I62-I64 PolarHBondContact O-N 2.95Å; I62-M65 PolarHBondContact O-N 3.39Å; I62-K66 HydrophobicContact CG2-CG 4.5Å; I62-K66 WeakPolarHBondContact O-CB 3.43Å; I62-K66 WeakPolarHBondContact O-CG 3.04Å; I62-K66 PolarHBondContact O-N 3.36Å; I62-P92 HydrophobicContact CD1-CB 4.03Å; I62-P92 HydrophobicContact CD1-CG 3.64Å; I62-P92 WeakPolarHBondContact CD1-O 3.41Å; I62-L94 HydrophobicContact CD1-CB 4.37Å; I62-L94 HydrophobicContact CG1-CB 3.98Å; I62-L94 HydrophobicContact CG1-CD1 4.24Å; I62-L94 HydrophobicContact CG1-CD2 4.4Å; I62-L94 HydrophobicContact CG1-CG 4.43Å
63Q89.4Confident88.6Confident118 Ų11864.3 Ų64.355%0.55129%0.291SS*.Hα-helixtrans-61.9-39.1177.9-75.5173.7-9.900112.7C59 R60 E61 K67C59-Q63 VanDerWaalsContact O-CG 3.27Å; C59-Q63 WeakPolarHBondContact O-CG 3.26Å; C59-Q63 PolarHBondContact O-N 3.49Å; R60-Q63 PolarHBondContact O-N 3.2Å; E61-Q63 PolarHBondContact O-N 3.45Å; Q63-K67 WeakPolarHBondContact O-CG 3.44Å
64I89.8Confident89.5Confident13 Ų1355.3 Ų55.37%0.06726%0.257CS..Hα-helixtrans-67.4-52.4175.7-69.8170.2000109.2R60 E61 I62 K66 K67 L68 I141 L167 A170R60-I64 HydrophobicContact CG-CD1 3.92Å; R60-I64 HydrophobicContact CG-CG1 4.38Å; R60-I64 VanDerWaalsContact O-CG1 3.32Å; R60-I64 WeakPolarHBondContact O-CG1 3.47Å; R60-I64 PolarHBondContact O-N 3.03Å; E61-I64 PolarHBondContact O-N 2.93Å; I62-I64 VanDerWaalsContact C-N 3.33Å; I62-I64 PolarHBondContact O-N 2.95Å; I64-K66 VanDerWaalsContact C-N 3.29Å; I64-K66 PolarHBondContact O-N 3.14Å; I64-K67 WeakPolarHBondContact O-CB 3.35Å; I64-K67 PolarHBondContact O-N 2.99Å; I64-L68 HydrophobicContact CG2-CD1 3.8Å; I64-L68 HydrophobicContact CG2-CG 4.4Å; I64-L68 WeakPolarHBondContact O-CG 3.1Å; I64-L68 PolarHBondContact O-N 2.88Å; I64-I141 HydrophobicContact CG2-CD1 3.67Å; I64-I141 HydrophobicContact CG2-CG1 4.22Å; I64-I141 HydrophobicContact CG2-CG2 4.39Å; I64-L167 HydrophobicContact CG2-CD1 3.59Å; I64-A170 HydrophobicContact CD1-CB 4.36Å
65M91.7Very high90.3Very high1 Ų155.5 Ų55.51%0.00526%0.26CS..Hα-helixtrans-56.9-40-178-72-67.6-60.900112.6E61 I62 K67 L68 V74 A76 L94 M96 L167E61-M65 HydrophobicContact CG-CG 4.37Å; E61-M65 WeakPolarHBondContact O-CB 3.35Å; E61-M65 VanDerWaalsContact O-CG 3.24Å; E61-M65 WeakPolarHBondContact O-CG 3.49Å; E61-M65 PolarHBondContact O-N 3.44Å; I62-M65 PolarHBondContact O-N 3.39Å; M65-K67 PolarHBondContact O-N 3.07Å; M65-L68 PolarHBondContact O-N 3.4Å; M65-V74 HydrophobicContact CE-CG1 4.4Å; M65-V74 WeakPolarHBondContact CE-O 3.4Å; M65-A76 HydrophobicContact CB-CB 4.15Å; M65-L94 HydrophobicContact CB-CD1 4.17Å; M65-L94 HydrophobicContact CG-CD2 4.22Å; M65-M96 HydrophobicContact CE-CG 4.33Å; M65-M96 HydrophobicContact CE-SD 4.02Å; M65-L167 HydrophobicContact CG-CD1 4.34Å; M65-L167 HydrophobicContact SD-CB 4.14Å; M65-L167 HydrophobicContact SD-CD1 3.49Å; M65-L167 WeakPolarHBondContact SD-CD1 3.42Å; M65-L167 HydrophobicContact SD-CG 3.79Å
66K90.4Very high90.9Very high95 Ų9552.3 Ų52.341%0.41325%0.252SS..THydrogen-bonded Turntrans-65.9-18.9176.8-77.2-161.9170.4-137.80114.3I62 I64 A76 E78I62-K66 HydrophobicContact CG2-CG 4.5Å; I62-K66 WeakPolarHBondContact O-CB 3.43Å; I62-K66 WeakPolarHBondContact O-CG 3.04Å; I62-K66 PolarHBondContact O-N 3.36Å; I64-K66 VanDerWaalsContact C-N 3.29Å; I64-K66 PolarHBondContact O-N 3.14Å; K66-A76 HydrophobicContact CG-CB 4.3Å; K66-E78 VanDerWaalsContact NZ-CD 3.35Å; K66-E78 IonicContact NZ-OE1 2.9Å; K66-E78 PolarHBondContact NZ-OE1 3.4Å; K66-E78 IonicContact NZ-OE2 3.97Å; K66-E78 PolarHBondContact NZ-OE2 2.87Å
67K91.5Very high91.5Very high145 Ų14550.3 Ų50.363%0.6324%0.238SC*.THydrogen-bonded Turntrans-89-19.9178-67.5172.3-176.2-1770112.8Q63 I64 M65 H69Q63-K67 WeakPolarHBondContact O-CG 3.44Å; I64-K67 WeakPolarHBondContact O-CB 3.35Å; I64-K67 PolarHBondContact O-N 2.99Å; M65-K67 PolarHBondContact O-N 3.07Å; K67-H69 PolarHBondContact O-ND1 3.29Å
68L94.1Very high92.1Very high3 Ų353.5 Ų53.52%0.01626%0.256CS..  trans-91.9133.4-170.3-63173.6000112.2I64 M65 V73 Y135 L136 N139 I141 L167I64-L68 HydrophobicContact CG2-CD1 3.8Å; I64-L68 HydrophobicContact CG2-CG 4.4Å; I64-L68 WeakPolarHBondContact O-CG 3.1Å; I64-L68 PolarHBondContact O-N 2.88Å; M65-L68 PolarHBondContact O-N 3.4Å; L68-V73 HydrophobicContact CD1-CG1 4.28Å; L68-Y135 HydrophobicContact CB-CE1 4.14Å; L68-Y135 HydrophobicContact CD2-CD1 4.44Å; L68-Y135 HydrophobicContact CD2-CE1 3.59Å; L68-Y135 HydrophobicContact CG-CE1 4.41Å; L68-L136 HydrophobicContact CD1-CD2 3.65Å; L68-L136 HydrophobicContact CD2-CD2 4.3Å; L68-N139 HydrophobicContact CD2-CB 4.2Å; L68-I141 HydrophobicContact CD1-CD1 4.22Å; L68-I141 HydrophobicContact CD2-CD1 3.64Å; L68-I141 HydrophobicContact CG-CD1 4.3Å; L68-L167 HydrophobicContact CD1-CD1 3.21Å
69H94.5Very high92.5Very high127 Ų12754.2 Ų54.259%0.58826%0.262SS*.  trans-143.396-179.5-65.280.9000108.8K67 Y135K67-H69 PolarHBondContact O-ND1 3.29Å; H69-Y135 PolarHBondContact N-OH 2.73Å; H69-Y135 PolarHBondContact O-OH 2.66Å
70H97.1Very high92.7Very high45 Ų4553.4 Ų53.421%0.20826%0.256CS..  trans-153.9145.1-179.3-173.7-102.7000111.2N72 V73 S131 Y135H70-N72 PolarHBondContact CE1-OD1 3.41Å; H70-N72 PolarHBondContact ND1-N 2.93Å; H70-N72 VanDerWaalsContact ND1-N 3.1Å; H70-N72 PolarHBondContact O-N 3.14Å; H70-N72 VanDerWaalsContact O-N 3.16Å; H70-V73 HydrophobicContact CB-CB 4.29Å; H70-V73 HydrophobicContact CB-CG2 4.21Å; H70-V73 PolarHBondContact O-N 3.43Å; H70-V73 VanDerWaalsContact O-N 3.17Å; H70-S131 PolarHBondContact CE1-OG 2.87Å; H70-S131 PolarHBondContact NE2-OG 3.2Å; H70-Y135 HydrophobicContact CB-CD1 3.47Å; H70-Y135 VanDerWaalsContact CB-CD1 3.47Å; H70-Y135 HydrophobicContact CB-CD2 4.03Å; H70-Y135 HydrophobicContact CB-CE1 3.56Å; H70-Y135 HydrophobicContact CB-CE2 4.11Å; H70-Y135 HydrophobicContact CB-CG 3.72Å; H70-Y135 AromaticContact CD2-CD2 3.81Å; H70-Y135 AromaticContact CD2-CG 3.81Å; H70-Y135 AromaticContact CG-CD1 3.88Å; H70-Y135 AromaticContact CG-CG 3.67Å
71N95.6Very high92.9Very high128 Ų12857.1 Ų57.168%0.68428%0.278SS*.THydrogen-bonded Turntrans-60.5-30.7-176.9-79.1-9.6000113.3K163N71-K163 WeakPolarHBondContact O-CE 3.27Å; N71-K163 VanDerWaalsContact O-CG 3.26Å; N71-K163 WeakPolarHBondContact O-CG 3.35Å; N71-K163 PolarHBondContact O-NZ 3.47Å
72N97.8Very high92.8Very high8 Ų860 Ų604%0.04329%0.293CS..THydrogen-bonded Turntrans-10316.1-178.4-51.1103.6000114.2H70 D128 H162 K163 I164H70-N72 PolarHBondContact CE1-OD1 3.41Å; H70-N72 PolarHBondContact ND1-N 2.93Å; H70-N72 VanDerWaalsContact ND1-N 3.1Å; H70-N72 PolarHBondContact O-N 3.14Å; H70-N72 VanDerWaalsContact O-N 3.16Å; N72-D128 WeakPolarHBondContact CB-O 3.29Å; N72-D128 VanDerWaalsContact ND2-CA 3.33Å; N72-D128 WeakPolarHBondContact ND2-CA 3.43Å; N72-D128 WeakPolarHBondContact ND2-CB 3.23Å; N72-D128 PolarHBondContact ND2-OD1 3.04Å; N72-H162 PolarHBondContact ND2-O 3.16Å; N72-H162 VanDerWaalsContact ND2-O 3.1Å; N72-K163 WeakPolarHBondContact O-CA 3.28Å; N72-I164 PolarHBondContact O-N 3.37Å
73V97.7Very high92.7Very high2 Ų259.2 Ų59.21%0.01229%0.289CS..BIsolated β-bridgetrans-125.1137.5168.4-178.70000107.3L68 H70 T75 Y135 L136L68-V73 HydrophobicContact CD1-CG1 4.28Å; H70-V73 HydrophobicContact CB-CB 4.29Å; H70-V73 HydrophobicContact CB-CG2 4.21Å; H70-V73 PolarHBondContact O-N 3.43Å; H70-V73 VanDerWaalsContact O-N 3.17Å; V73-T75 PolarHBondContact O-N 2.93Å; V73-Y135 HydrophobicContact CG2-CD1 4.04Å; V73-L136 HydrophobicContact CG2-CD2 4.27Å; V73-L136 HydrophobicContact CG2-CG 4.3Å
74V96.6Very high92.4Very high4 Ų457.4 Ų57.42%0.02428%0.284CS..PPolyproline II helixtrans-64.6130.5178.3162.20000110.6M65 M96 E97 V152 K163 I164 I165M65-V74 HydrophobicContact CE-CG1 4.4Å; M65-V74 WeakPolarHBondContact CE-O 3.4Å; V74-M96 HydrophobicContact CG1-CB 3.72Å; V74-M96 HydrophobicContact CG1-CG 4.07Å; V74-M96 HydrophobicContact CG1-SD 4.07Å; V74-E97 WeakPolarHBondContact CA-OE1 3.3Å; V74-E97 HydrophobicContact CB-CG 4.47Å; V74-E97 HydrophobicContact CG1-CG 3.87Å; V74-V152 HydrophobicContact CG2-CG2 3.65Å; V74-K163 HydrophobicContact CG2-CB 3.79Å; V74-K163 HydrophobicContact CG2-CD 4.24Å; V74-I164 PolarHBondContact N-O 2.83Å; V74-I165 HydrophobicContact CB-CG2 3.65Å; V74-I165 HydrophobicContact CG1-CG2 4.23Å; V74-I165 HydrophobicContact CG2-CG2 3.19Å
75T95.3Very high92Very high41 Ų4161.4 Ų61.425%0.25231%0.312SS..PPolyproline II helixtrans-82.6130.3-176.6-48.10000110.5V73 M96 E97V73-T75 PolarHBondContact O-N 2.93Å; T75-M96 WeakPolarHBondContact O-CA 3.39Å; T75-E97 PolarHBondContact N-OE1 3.46Å; T75-E97 PolarHBondContact O-N 3.31Å; T75-E97 PolarHBondContact OG1-OE1 3.19Å
76A95.4Very high91.6Very high19 Ų1962.5 Ų62.516%0.15732%0.318CS..EExtended strand (participates in β ladder)trans-68.3139.1168.100000110.2M65 K66 L94 A95M65-A76 HydrophobicContact CB-CB 4.15Å; K66-A76 HydrophobicContact CG-CB 4.3Å; A76-L94 HydrophobicContact CB-CD1 4.32Å; A76-A95 WeakPolarHBondContact CA-O 3.23Å
77K94.1Very high91.1Very high60 Ų6059.8 Ų59.826%0.26131%0.313SS..EExtended strand (participates in β ladder)trans-110.3159.1173.6-70.7-172.1168.9-168.70109.8E39 I41 A95E39-K77 IonicContact OE1-NZ 2.72Å; E39-K77 PolarHBondContact OE1-NZ 3.35Å; I41-K77 HydrophobicContact CG2-CD 3.6Å; K77-A95 HydrophobicContact CB-CB 4.19Å; K77-A95 PolarHBondContact N-O 3.47Å
78E92.4Very high90.5Very high139 Ų13958.1 Ų58.165%0.6531%0.31SS*.PPolyproline II helixtrans-66.1143.6167-71-55.1144.500110.1K66 P80K66-E78 VanDerWaalsContact NZ-CD 3.35Å; K66-E78 IonicContact NZ-OE1 2.9Å; K66-E78 PolarHBondContact NZ-OE1 3.4Å; K66-E78 IonicContact NZ-OE2 3.97Å; K66-E78 PolarHBondContact NZ-OE2 2.87Å; E78-P80 WeakPolarHBondContact O-CD 3.31Å
79V91.5Very high89.8Confident29 Ų2959.5 Ų59.518%0.17632%0.318CS..PPolyproline II helixtrans-82.2119.6-179.6-176.80000107.7N84 L93 A95V79-N84 WeakPolarHBondContact CG1-OD1 3.4Å; V79-L93 HydrophobicContact CG1-CB 4.09Å; V79-L93 HydrophobicContact CG1-CD1 3.98Å; V79-L93 HydrophobicContact CG2-CB 4.1Å; V79-A95 HydrophobicContact CG2-CB 3.91Å
80P91Very high89.3Confident25 Ų2561.9 Ų61.916%0.16233%0.329CS..PPolyproline II helixtrans-59139.4176.7-23.834.6000111.5W15 I41 E78 D82 I83 N84W15-P80 HydrophobicContact CD2-CG 4.24Å; W15-P80 HydrophobicContact CZ2-CB 4.5Å; W15-P80 HydrophobicContact CZ2-CG 3.72Å; I41-P80 HydrophobicContact CD1-CG 3.92Å; E78-P80 WeakPolarHBondContact O-CD 3.31Å; P80-D82 VanDerWaalsContact C-N 3.26Å; P80-D82 PolarHBondContact O-N 3.45Å; P80-I83 HydrophobicContact CB-CD1 4.08Å; P80-I83 HydrophobicContact CB-CG1 4.15Å; P80-I83 HydrophobicContact CG-CD1 3.8Å; P80-I83 HydrophobicContact CG-CG1 4.41Å; P80-I83 PolarHBondContact O-N 3.03Å; P80-N84 PolarHBondContact O-N 3.48Å
81E87.9Confident88.7Confident171 Ų17160 Ų6080%0.79932%0.321SS*.Hα-helixtrans-55.9-42.4-177.3-69-175.1176.400112I83 N84E81-I83 PolarHBondContact O-N 2.95Å; E81-N84 WeakPolarHBondContact O-CB 3.44Å; E81-N84 PolarHBondContact O-N 3.4Å; E81-N84 VanDerWaalsContact O-N 3.13Å
82D86.8Confident88.4Confident71 Ų7156.9 Ų56.938%0.3831%0.308SS..Hα-helixtrans-60.2-29.6179.1-59.6-40.9000113.4F12 P80 S85F12-D82 VanDerWaalsContact O-CB 3.23Å; F12-D82 WeakPolarHBondContact O-CB 3.29Å; P80-D82 VanDerWaalsContact C-N 3.26Å; P80-D82 PolarHBondContact O-N 3.45Å; D82-S85 PolarHBondContact O-OG 2.98Å
83I86.9Confident88.1Confident0 Ų057 Ų570%031%0.308CS..Hα-helixtrans-85.9-20.3-177.9-57.9178.2000111.2W15 F32 I41 P80 E81 S85 I86 L93W15-I83 HydrophobicContact CB-CD1 3.72Å; W15-I83 HydrophobicContact CB-CG1 3.85Å; W15-I83 HydrophobicContact CD2-CD1 3.83Å; W15-I83 HydrophobicContact CE3-CD1 4.2Å; W15-I83 HydrophobicContact CG-CD1 3.63Å; W15-I83 HydrophobicContact CG-CG1 4.01Å; F32-I83 HydrophobicContact CB-CD1 4.18Å; F32-I83 HydrophobicContact CD1-CD1 3.73Å; F32-I83 HydrophobicContact CD1-CG1 4.21Å; F32-I83 HydrophobicContact CE1-CD1 4.19Å; F32-I83 HydrophobicContact CE1-CG1 4.25Å; F32-I83 HydrophobicContact CE1-CG2 4.07Å; F32-I83 HydrophobicContact CE2-CG2 4.37Å; F32-I83 HydrophobicContact CG-CD1 3.93Å; F32-I83 HydrophobicContact CZ-CG2 3.95Å; I41-I83 HydrophobicContact CD1-CD1 3.88Å; P80-I83 HydrophobicContact CB-CD1 4.08Å; P80-I83 HydrophobicContact CB-CG1 4.15Å; P80-I83 HydrophobicContact CG-CD1 3.8Å; P80-I83 HydrophobicContact CG-CG1 4.41Å; P80-I83 PolarHBondContact O-N 3.03Å; E81-I83 PolarHBondContact O-N 2.95Å; I83-S85 PolarHBondContact O-N 3.22Å; I83-I86 HydrophobicContact CG2-CG2 3.9Å; I83-I86 WeakPolarHBondContact O-CB 3.41Å; I83-I86 WeakPolarHBondContact O-CG2 3.43Å; I83-I86 PolarHBondContact O-N 3.17Å; I83-L93 HydrophobicContact CG2-CD1 4.22Å
84N82.9Confident87.8Confident80 Ų8057 Ų5743%0.42831%0.308SS..Hα-helixtrans-56.3-31.2-177.7-83.3-35000113.2V79 P80 E81 I86 A87V79-N84 WeakPolarHBondContact CG1-OD1 3.4Å; P80-N84 PolarHBondContact O-N 3.48Å; E81-N84 WeakPolarHBondContact O-CB 3.44Å; E81-N84 PolarHBondContact O-N 3.4Å; E81-N84 VanDerWaalsContact O-N 3.13Å; N84-I86 PolarHBondContact O-N 3.36Å; N84-I86 VanDerWaalsContact O-N 3.14Å; N84-A87 WeakPolarHBondContact O-CB 3.42Å; N84-A87 PolarHBondContact O-N 2.94Å
85S81.1Confident87.7Confident96 Ų9656.9 Ų56.967%0.67131%0.308SS*.THydrogen-bonded Turntrans-65.8-12.3178.964.30000114.4D82 I83 A87D82-S85 PolarHBondContact O-OG 2.98Å; I83-S85 PolarHBondContact O-N 3.22Å; S85-A87 VanDerWaalsContact C-N 3.3Å
86I82.5Confident87.8Confident25 Ų2555.7 Ų55.713%0.12830%0.299CS..THydrogen-bonded Turntrans-81.2-8.9177.1-151.6176.7000113.2F12 F32 M45 I83 N84 L88 L93F12-I86 HydrophobicContact CE1-CB 4.07Å; F12-I86 HydrophobicContact CE1-CD1 4.18Å; F12-I86 HydrophobicContact CE1-CG1 4.02Å; F12-I86 HydrophobicContact CE2-CD1 3.8Å; F12-I86 HydrophobicContact CZ-CB 4.25Å; F12-I86 HydrophobicContact CZ-CD1 3.47Å; F12-I86 VanDerWaalsContact CZ-CD1 3.47Å; F12-I86 HydrophobicContact CZ-CG1 3.75Å; F32-I86 HydrophobicContact CZ-CD1 3.78Å; M45-I86 HydrophobicContact CE-CD1 3.9Å; M45-I86 HydrophobicContact CE-CG1 4.4Å; M45-I86 HydrophobicContact CE-CG2 3.9Å; I83-I86 HydrophobicContact CG2-CG2 3.9Å; I83-I86 WeakPolarHBondContact O-CB 3.41Å; I83-I86 WeakPolarHBondContact O-CG2 3.43Å; I83-I86 PolarHBondContact O-N 3.17Å; N84-I86 PolarHBondContact O-N 3.36Å; N84-I86 VanDerWaalsContact O-N 3.14Å; I86-L88 PolarHBondContact O-N 2.73Å; I86-L93 HydrophobicContact CG2-CD1 3.84Å; I86-L93 HydrophobicContact CG2-CD2 4.46Å
87A80.6Confident87.8Confident37 Ų3756.5 Ų56.531%0.30630%0.3SS..  trans-56.5123.817800000110.2N84 S85 N89 L93N84-A87 WeakPolarHBondContact O-CB 3.42Å; N84-A87 PolarHBondContact O-N 2.94Å; S85-A87 VanDerWaalsContact C-N 3.3Å; A87-N89 PolarHBondContact O-N 2.68Å; A87-L93 HydrophobicContact CB-CD2 4.15Å; A87-L93 HydrophobicContact CB-CG 4.29Å
88L78.1Confident87.8Confident110 Ų11055.6 Ų55.658%0.57630%0.295SS*.SBendtrans-77.7-12.2-177-63.1174.5000112.7R47 I86R47-L88 HydrophobicContact CG-CD1 4.2Å; I86-L88 PolarHBondContact O-N 2.73Å
89N81.1Confident88Confident33 Ų3349.6 Ų49.618%0.17627%0.268CS..SBendtrans-157.7-178.6-179.454.932000109.5L48 A87 L91L48-N89 PolarHBondContact O-ND2 3.02Å; A87-N89 PolarHBondContact O-N 2.68Å; N89-L91 PolarHBondContact O-N 3.38Å; N89-L91 WeakPolarHBondContact OD1-CB 3.17Å; N89-L91 WeakPolarHBondContact OD1-CG 3.46Å; N89-L91 PolarHBondContact OD1-N 2.72Å; N89-L91 VanDerWaalsContact OD1-N 3.12Å
90E82.8Confident88.1Confident176 Ų17650.9 Ų50.982%0.82228%0.279SS*.SBendtrans-68.94.8179.8-59-178.8162.800114.5
91L85.2Confident88.3Confident5 Ų554.8 Ų54.83%0.02629%0.293CS..SBendtrans-81.9138.4179.5-59.3171.1000110.5C46 L50 R55 N89C46-L91 HydrophobicContact CB-CB 4.49Å; C46-L91 HydrophobicContact CB-CD1 3.77Å; L50-L91 HydrophobicContact CB-CD1 4.44Å; L50-L91 HydrophobicContact CD1-CD1 3.5Å; L50-L91 VanDerWaalsContact CD1-CD1 3.5Å; L50-L91 HydrophobicContact CG-CD1 3.8Å; R55-L91 HydrophobicContact CB-CD2 4.3Å; R55-L91 HydrophobicContact CG-CD2 3.63Å; N89-L91 PolarHBondContact O-N 3.38Å; N89-L91 WeakPolarHBondContact OD1-CB 3.17Å; N89-L91 WeakPolarHBondContact OD1-CG 3.46Å; N89-L91 PolarHBondContact OD1-N 2.72Å; N89-L91 VanDerWaalsContact OD1-N 3.12Å
92P87.8Confident88.6Confident63 Ų6348 Ų4841%0.40927%0.268SS..PPolyproline II helixtrans-64.6146.3179.923.9-32000111.9W58 I62W58-P92 PolarHBondContact NE1-O 3.32Å; I62-P92 HydrophobicContact CD1-CB 4.03Å; I62-P92 HydrophobicContact CD1-CG 3.64Å; I62-P92 WeakPolarHBondContact CD1-O 3.41Å
93L91.6Very high89Confident10 Ų1046.3 Ų46.35%0.05226%0.259CS..PPolyproline II helixtrans-75.4153.3170.4-59.2177.4000110.6V43 M45 V79 I83 I86 A87V43-L93 HydrophobicContact CG1-CB 4.23Å; V43-L93 HydrophobicContact CG1-CD1 4.33Å; V43-L93 HydrophobicContact CG1-CD2 4.5Å; M45-L93 HydrophobicContact CB-CD2 3.72Å; V79-L93 HydrophobicContact CG1-CB 4.09Å; V79-L93 HydrophobicContact CG1-CD1 3.98Å; V79-L93 HydrophobicContact CG2-CB 4.1Å; I83-L93 HydrophobicContact CG2-CD1 4.22Å; I86-L93 HydrophobicContact CG2-CD1 3.84Å; I86-L93 HydrophobicContact CG2-CD2 4.46Å; A87-L93 HydrophobicContact CB-CD2 4.15Å; A87-L93 HydrophobicContact CB-CG 4.29Å
94L92.4Very high89.5Confident4 Ų446.3 Ų46.32%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-115.5103170177.158.9000109.3V43 K44 E61 I62 M65 A76 M96V43-L94 WeakPolarHBondContact CA-O 3.44Å; K44-L94 HydrophobicContact CB-CB 4.19Å; K44-L94 HydrophobicContact CD-CD2 4.37Å; K44-L94 PolarHBondContact N-O 3.34Å; K44-L94 PolarHBondContact O-N 2.86Å; K44-L94 VanDerWaalsContact O-N 3.11Å; E61-L94 HydrophobicContact CG-CD2 4.49Å; I62-L94 HydrophobicContact CD1-CB 4.37Å; I62-L94 HydrophobicContact CG1-CB 3.98Å; I62-L94 HydrophobicContact CG1-CD1 4.24Å; I62-L94 HydrophobicContact CG1-CD2 4.4Å; I62-L94 HydrophobicContact CG1-CG 4.43Å; M65-L94 HydrophobicContact CB-CD1 4.17Å; M65-L94 HydrophobicContact CG-CD2 4.22Å; A76-L94 HydrophobicContact CB-CD1 4.32Å; L94-M96 HydrophobicContact CD1-CG 4.28Å; L94-M96 HydrophobicContact CD2-CE 4.44Å; L94-M96 HydrophobicContact CD2-CG 4.45Å; L94-M96 HydrophobicContact CD2-SD 3.97Å; L94-M96 HydrophobicContact CG-CE 4.4Å; L94-M96 HydrophobicContact CG-CG 3.98Å; L94-M96 HydrophobicContact CG-SD 4.1Å
95A94.8Very high90.1Very high1 Ų145.4 Ų45.41%0.00825%0.25CS..EExtended strand (participates in β ladder)trans-84.3141.1169.100000110.1I41 A42 V43 A76 K77 V79I41-A95 HydrophobicContact CD1-CB 4.5Å; A42-A95 CarbonylContact O-C 3.56Å; A42-A95 WeakPolarHBondContact O-CA 3.44Å; V43-A95 HydrophobicContact CG2-CB 4.43Å; A76-A95 WeakPolarHBondContact CA-O 3.23Å; K77-A95 HydrophobicContact CB-CB 4.19Å; K77-A95 PolarHBondContact N-O 3.47Å; V79-A95 HydrophobicContact CG2-CB 3.91Å
96M96Very high90.8Very high16 Ų1644.8 Ų44.88%0.07924%0.239CC..EExtended strand (participates in β ladder)trans-142.6160-177-66.2172.2-67.700110.2I41 A42 K44 M65 V74 T75 L94I41-M96 WeakPolarHBondContact CA-O 3.36Å; A42-M96 PolarHBondContact N-O 3.22Å; A42-M96 PolarHBondContact O-N 2.7Å; K44-M96 HydrophobicContact CB-CE 4.02Å; M65-M96 HydrophobicContact CE-CG 4.33Å; M65-M96 HydrophobicContact CE-SD 4.02Å; V74-M96 HydrophobicContact CG1-CB 3.72Å; V74-M96 HydrophobicContact CG1-CG 4.07Å; V74-M96 HydrophobicContact CG1-SD 4.07Å; T75-M96 WeakPolarHBondContact O-CA 3.39Å; L94-M96 HydrophobicContact CD1-CG 4.28Å; L94-M96 HydrophobicContact CD2-CE 4.44Å; L94-M96 HydrophobicContact CD2-CG 4.45Å; L94-M96 HydrophobicContact CD2-SD 3.97Å; L94-M96 HydrophobicContact CG-CE 4.4Å; L94-M96 HydrophobicContact CG-CG 3.98Å; L94-M96 HydrophobicContact CG-SD 4.1Å
97E95.4Very high91.4Very high36 Ų3644.2 Ų44.217%0.16824%0.237CC..EExtended strand (participates in β ladder)trans-57.1142.5165.764.2177140.500111.6V74 T75 K163V74-E97 WeakPolarHBondContact CA-OE1 3.3Å; V74-E97 HydrophobicContact CB-CG 4.47Å; V74-E97 HydrophobicContact CG1-CG 3.87Å; T75-E97 PolarHBondContact N-OE1 3.46Å; T75-E97 PolarHBondContact O-N 3.31Å; T75-E97 PolarHBondContact OG1-OE1 3.19Å; E97-K163 IonicContact OE1-NZ 2.79Å; E97-K163 PolarHBondContact OE1-NZ 3.03Å; E97-K163 IonicContact OE2-NZ 2.61Å; E97-K163 PolarHBondContact OE2-NZ 3.17Å
98Y95.7Very high92.1Very high41 Ų4143.2 Ų43.216%0.16123%0.227CC..  trans-90.2126.2176.1170.5-115.5000111.1L21 L31 K40L21-Y98 HydrophobicContact CD1-CD2 3.75Å; L21-Y98 HydrophobicContact CD1-CE2 3.84Å; L21-Y98 HydrophobicContact CD2-CD2 4.49Å; L21-Y98 HydrophobicContact CD2-CE2 3.74Å; L21-Y98 HydrophobicContact CG-CE2 4.47Å; L31-Y98 HydrophobicContact CD1-CD1 3.85Å; L31-Y98 HydrophobicContact CD1-CD2 3.62Å; L31-Y98 HydrophobicContact CD1-CE1 4.12Å; L31-Y98 HydrophobicContact CD1-CE2 3.92Å; L31-Y98 HydrophobicContact CD1-CG 3.57Å; L31-Y98 HydrophobicContact CD2-CE1 4.37Å; L31-Y98 HydrophobicContact CD2-CE2 4.29Å; K40-Y98 HydrophobicContact CB-CD1 3.69Å; K40-Y98 HydrophobicContact CB-CG 4.13Å; K40-Y98 HydrophobicContact CD-CD1 3.75Å; K40-Y98 HydrophobicContact CD-CE1 3.86Å; K40-Y98 HydrophobicContact CG-CD1 4.35Å
99C96Very high92.8Very high13 Ų1340.6 Ų40.69%0.08822%0.217CC..  trans-98.9113.6175.1-66.30000110.7V152 L153 Q154C99-V152 HydrophobicContact CB-CB 3.76Å; C99-V152 HydrophobicContact CB-CG2 3.63Å; C99-V152 WeakPolarHBondContact SG-CG2 3.23Å; C99-L153 CarbonylContact C-O 3.5Å; C99-L153 WeakPolarHBondContact CB-O 3.5Å; C99-Q154 HydrophobicContact CB-CB 4.29Å
100S94.2Very high93.3Very high56 Ų5643.5 Ų43.539%0.39223%0.228SC..THydrogen-bonded Turntrans-81-15.7-164.557.20000115.8Q154S100-Q154 PolarHBondContact OG-OE1 3.48Å
101K95.3Very high93.7Very high107 Ų10735.2 Ų35.247%0.46519%0.19SC..THydrogen-bonded Turntrans-95.87.3-177.4-59.2-80.3179.9166.40113.1L153 D155K101-L153 HydrophobicContact CB-CB 3.67Å; K101-L153 WeakPolarHBondContact CB-O 3.46Å; K101-L153 PolarHBondContact N-O 3.1Å; K101-D155 WeakPolarHBondContact CE-OD2 3.39Å; K101-D155 IonicContact NZ-OD2 3.99Å; K101-D155 PolarHBondContact NZ-OD2 3.41Å
102G94.3Very high94Very high27 Ų2738.5 Ų38.528%0.27821%0.205SC..  trans74.8-161.4-179.600000112.8V152 L153G102-V152 CarbonylContact O-C 3.58Å; G102-V152 WeakPolarHBondContact O-CA 3.4Å; G102-L153 WeakPolarHBondContact O-CD1 3.49Å; G102-L153 PolarHBondContact O-N 3.31Å
103D95.3Very high94.3Very high36 Ų3635.9 Ų35.919%0.19319%0.188CC..BIsolated β-bridgetrans-96.2160.7179.661.576.9000113.9R105 N106 V107 I151 V152 L153D103-R105 VanDerWaalsContact C-N 3.27Å; D103-R105 PolarHBondContact O-N 2.98Å; D103-R105 WeakPolarHBondContact OD1-CA 3.43Å; D103-R105 VanDerWaalsContact OD1-CB 3.22Å; D103-R105 WeakPolarHBondContact OD1-CB 3.01Å; D103-R105 PolarHBondContact OD1-N 3.41Å; D103-R105 VanDerWaalsContact OD1-N 3.12Å; D103-N106 VanDerWaalsContact CG-ND2 3.33Å; D103-N106 WeakPolarHBondContact O-CB 3.48Å; D103-N106 PolarHBondContact O-N 3.48Å; D103-N106 VanDerWaalsContact O-N 3.15Å; D103-N106 PolarHBondContact OD1-N 3.29Å; D103-N106 PolarHBondContact OD1-ND2 2.8Å; D103-N106 PolarHBondContact OD2-ND2 2.91Å; D103-V107 PolarHBondContact O-N 3.42Å; D103-I151 CarbonylContact C-O 3.32Å; D103-I151 VanDerWaalsContact CA-O 3.27Å; D103-I151 WeakPolarHBondContact CA-O 3.4Å; D103-V152 HydrophobicContact CB-CG1 4.46Å; D103-L153 VanDerWaalsContact C-CD1 3.47Å
104L97.4Very high94.2Very high1 Ų136.6 Ų36.61%0.00519%0.193CC..Hα-helixtrans-65.2-28.9-179.3179.467000111.9N106 V107 L108 L117 L125 P148 I151 L153 M211L104-N106 VanDerWaalsContact C-N 3.29Å; L104-N106 PolarHBondContact O-N 3.32Å; L104-V107 HydrophobicContact CD1-CB 4.36Å; L104-V107 WeakPolarHBondContact O-CB 3.44Å; L104-V107 PolarHBondContact O-N 2.97Å; L104-V107 VanDerWaalsContact O-N 3.15Å; L104-L108 HydrophobicContact CD1-CG 4.47Å; L104-L108 HydrophobicContact CG-CD1 4.19Å; L104-L108 HydrophobicContact CG-CG 4.33Å; L104-L108 WeakPolarHBondContact O-CG 3.22Å; L104-L108 PolarHBondContact O-N 2.92Å; L104-L117 HydrophobicContact CD1-CD1 4.26Å; L104-L125 HydrophobicContact CD1-CD1 4.27Å; L104-L125 HydrophobicContact CD2-CD1 3.55Å; L104-L125 HydrophobicContact CD2-CD2 4.43Å; L104-P148 HydrophobicContact CB-CB 4.2Å; L104-P148 WeakPolarHBondContact CB-O 3.43Å; L104-P148 HydrophobicContact CD2-CB 4.24Å; L104-P148 HydrophobicContact CG-CB 4.15Å; L104-P148 PolarHBondContact N-O 3.24Å; L104-I151 HydrophobicContact CB-CB 3.93Å; L104-I151 HydrophobicContact CB-CG2 4.25Å; L104-I151 HydrophobicContact CD2-CB 4.16Å; L104-I151 HydrophobicContact CD2-CG1 4.33Å; L104-I151 HydrophobicContact CD2-CG2 4.32Å; L104-I151 PolarHBondContact N-O 3.05Å; L104-L153 HydrophobicContact CB-CD1 4.11Å; L104-L153 VanDerWaalsContact N-CD1 3.34Å; L104-M211 HydrophobicContact CD2-CG 4.13Å; L104-M211 HydrophobicContact CD2-SD 3.8Å
105R95.3Very high94.3Very high61 Ų6136.9 Ų36.923%0.2320%0.195CC..Hα-helixtrans-60-42.4173.1170.659.867-153.4-3.8110.8D103 V107 L108 S109 P148 E149 Y188 E214D103-R105 VanDerWaalsContact C-N 3.27Å; D103-R105 PolarHBondContact O-N 2.98Å; D103-R105 WeakPolarHBondContact OD1-CA 3.43Å; D103-R105 VanDerWaalsContact OD1-CB 3.22Å; D103-R105 WeakPolarHBondContact OD1-CB 3.01Å; D103-R105 PolarHBondContact OD1-N 3.41Å; D103-R105 VanDerWaalsContact OD1-N 3.12Å; R105-V107 VanDerWaalsContact C-N 3.3Å; R105-V107 PolarHBondContact O-N 3.49Å; R105-L108 PolarHBondContact O-N 2.71Å; R105-S109 VanDerWaalsContact O-CB 3.31Å; R105-S109 WeakPolarHBondContact O-CB 3.24Å; R105-S109 PolarHBondContact O-N 2.97Å; R105-P148 HydrophobicContact CB-CB 3.96Å; R105-P148 PolarHBondContact N-O 3.26Å; R105-E149 HydrophobicContact CB-CG 3.85Å; R105-E149 HydrophobicContact CG-CG 4.17Å; R105-E149 IonicContact CZ-OE1 2.76Å; R105-E149 IonicContact NE-OE1 3.87Å; R105-E149 PolarHBondContact NE-OE1 3.45Å; R105-E149 IonicContact NH2-OE1 2.73Å; R105-E149 PolarHBondContact NH2-OE1 3.35Å; R105-E149 VanDerWaalsContact NH2-OE1 3.12Å; R105-E149 IonicContact NH2-OE2 3.12Å; R105-Y188 PolarHBondContact NH2-OH 3.24Å; R105-E214 IonicContact CZ-OE1 2.74Å; R105-E214 IonicContact NH1-OE1 3.42Å; R105-E214 PolarHBondContact NH1-OE1 3.1Å; R105-E214 IonicContact NH1-OE2 2.75Å; R105-E214 IonicContact NH2-OE1 3.79Å
106N94.5Very high94.3Very high82 Ų8236.8 Ų36.844%0.43920%0.195SC..Hα-helixtrans-61.4-41.1176-65.9-33.6000111.2D103 L104 S109 K110D103-N106 VanDerWaalsContact CG-ND2 3.33Å; D103-N106 WeakPolarHBondContact O-CB 3.48Å; D103-N106 PolarHBondContact O-N 3.48Å; D103-N106 VanDerWaalsContact O-N 3.15Å; D103-N106 PolarHBondContact OD1-N 3.29Å; D103-N106 PolarHBondContact OD1-ND2 2.8Å; D103-N106 PolarHBondContact OD2-ND2 2.91Å; L104-N106 VanDerWaalsContact C-N 3.29Å; L104-N106 PolarHBondContact O-N 3.32Å; N106-S109 PolarHBondContact O-N 3.31Å; N106-S109 PolarHBondContact O-OG 2.99Å; N106-K110 WeakPolarHBondContact O-CG 3.41Å
107V96.1Very high94.3Very high13 Ų1336.1 Ų36.18%0.07919%0.192CC..Hα-helixtrans-62.2-48.1176.2-177.90000111.7D103 L104 R105 S109 K110 N113 L117 L153D103-V107 PolarHBondContact O-N 3.42Å; L104-V107 HydrophobicContact CD1-CB 4.36Å; L104-V107 WeakPolarHBondContact O-CB 3.44Å; L104-V107 PolarHBondContact O-N 2.97Å; L104-V107 VanDerWaalsContact O-N 3.15Å; R105-V107 VanDerWaalsContact C-N 3.3Å; R105-V107 PolarHBondContact O-N 3.49Å; V107-S109 PolarHBondContact O-N 2.85Å; V107-K110 WeakPolarHBondContact O-CB 3.42Å; V107-K110 WeakPolarHBondContact O-CG 3.2Å; V107-K110 PolarHBondContact O-N 3.48Å; V107-N113 PolarHBondContact O-ND2 3.39Å; V107-L117 HydrophobicContact CG1-CD2 3.86Å; V107-L153 HydrophobicContact CG2-CD1 4.11Å; V107-L153 HydrophobicContact CG2-CD2 4.01Å
108L95.2Very high94.3Very high17 Ų1738.3 Ų38.39%0.08920%0.2CC..Hα-helixtrans-65.7-25.5177.1-68.6172.4000113.1L104 R105 K110 L117 P148 E214 C215L104-L108 HydrophobicContact CD1-CG 4.47Å; L104-L108 HydrophobicContact CG-CD1 4.19Å; L104-L108 HydrophobicContact CG-CG 4.33Å; L104-L108 WeakPolarHBondContact O-CG 3.22Å; L104-L108 PolarHBondContact O-N 2.92Å; R105-L108 PolarHBondContact O-N 2.71Å; L108-K110 VanDerWaalsContact C-N 3.25Å; L108-K110 PolarHBondContact O-N 3.4Å; L108-L117 HydrophobicContact CD2-CD1 4.18Å; L108-L117 HydrophobicContact CD2-CD2 3.88Å; L108-L117 HydrophobicContact CD2-CG 3.91Å; L108-P148 HydrophobicContact CD1-CB 3.82Å; L108-P148 HydrophobicContact CD1-CG 3.7Å; L108-E214 HydrophobicContact CD1-CG 4.23Å; L108-C215 HydrophobicContact CD2-CB 4.44Å
109S91.9Very high94.2Very high55 Ų5536.5 Ų36.539%0.38519%0.194SC..THydrogen-bonded Turntrans-76.7-14-179.680.40000113.8R105 N106 V107 K574R105-S109 VanDerWaalsContact O-CB 3.31Å; R105-S109 WeakPolarHBondContact O-CB 3.24Å; R105-S109 PolarHBondContact O-N 2.97Å; N106-S109 PolarHBondContact O-N 3.31Å; N106-S109 PolarHBondContact O-OG 2.99Å; V107-S109 PolarHBondContact O-N 2.85Å; S109-K574 PolarHBondContact O-NZ 3.48Å
110K92.9Very high94Very high93 Ų9336.7 Ų36.740%0.40420%0.195SC..SBendtrans-64.6136.3179.7-64.7-173.5-176.6177.40110.9N106 V107 L108 E112 N113N106-K110 WeakPolarHBondContact O-CG 3.41Å; V107-K110 WeakPolarHBondContact O-CB 3.42Å; V107-K110 WeakPolarHBondContact O-CG 3.2Å; V107-K110 PolarHBondContact O-N 3.48Å; L108-K110 VanDerWaalsContact C-N 3.25Å; L108-K110 PolarHBondContact O-N 3.4Å; K110-E112 VanDerWaalsContact C-N 3.31Å; K110-E112 HydrophobicContact CB-CG 4.22Å; K110-E112 WeakPolarHBondContact CB-OE2 3.48Å; K110-E112 WeakPolarHBondContact CD-OE1 3.45Å; K110-E112 PolarHBondContact O-N 3.19Å; K110-N113 HydrophobicContact CB-CB 4.49Å; K110-N113 PolarHBondContact O-N 2.98Å
111P90.8Very high94Very high3 Ų337 Ų372%0.01919%0.19CC..G310 helixtrans-51-44.2179.4-36.143.2000115N113 C114 I567 Y570 M571P111-N113 PolarHBondContact O-N 3.43Å; P111-N113 VanDerWaalsContact O-N 3.16Å; P111-C114 WeakPolarHBondContact O-CB 3.26Å; P111-C114 PolarHBondContact O-N 3.04Å; P111-C114 VanDerWaalsContact O-N 3.15Å; P111-C114 PolarHBondContact O-SG 3.33Å; P111-I567 HydrophobicContact CB-CB 4.38Å; P111-I567 HydrophobicContact CB-CG1 4.17Å; P111-I567 HydrophobicContact CB-CG2 3.81Å; P111-I567 HydrophobicContact CG-CG2 3.87Å; P111-Y570 HydrophobicContact CB-CD1 3.97Å; P111-Y570 HydrophobicContact CB-CE1 4.44Å; P111-Y570 HydrophobicContact CG-CD1 4.44Å; P111-M571 HydrophobicContact CG-CE 3.27Å; P111-M571 HydrophobicContact CG-CG 3.48Å; P111-M571 VanDerWaalsContact CG-CG 3.48Å; P111-M571 HydrophobicContact CG-SD 3.38Å; P111-M571 WeakPolarHBondContact CG-SD 3.36Å
112E90.3Very high94.1Very high73 Ų7332 Ų3234%0.34117%0.168SC..G310 helixtrans-61.5-21.7179.359.5-92.1-145.500112.9K110K110-E112 VanDerWaalsContact C-N 3.31Å; K110-E112 HydrophobicContact CB-CG 4.22Å; K110-E112 WeakPolarHBondContact CB-OE2 3.48Å; K110-E112 WeakPolarHBondContact CD-OE1 3.45Å; K110-E112 PolarHBondContact O-N 3.19Å
113N94.3Very high94.1Very high9 Ų931.7 Ų31.75%0.04816%0.16CC..G310 helixtrans-103.211.2-178.1-67.4-20.3000113.1V107 K110 P111 C115 G116 L117V107-N113 PolarHBondContact O-ND2 3.39Å; K110-N113 HydrophobicContact CB-CB 4.49Å; K110-N113 PolarHBondContact O-N 2.98Å; P111-N113 PolarHBondContact O-N 3.43Å; P111-N113 VanDerWaalsContact O-N 3.16Å; N113-C115 PolarHBondContact O-N 3.12Å; N113-G116 PolarHBondContact O-N 2.94Å; N113-L117 HydrophobicContact CB-CD2 3.91Å; N113-L117 WeakPolarHBondContact ND2-CD2 3.39Å
114C91.3Very high94Very high25 Ų2531.1 Ų31.117%0.16916%0.159CC..THydrogen-bonded Turntrans-65.9-18.3-175.465.10000114.5P111 G430 Y570P111-C114 WeakPolarHBondContact O-CB 3.26Å; P111-C114 PolarHBondContact O-N 3.04Å; P111-C114 VanDerWaalsContact O-N 3.15Å; P111-C114 PolarHBondContact O-SG 3.33Å; C114-G430 WeakPolarHBondContact SG-CA 3.5Å; C114-G430 PolarHBondContact SG-O 2.91Å; C114-Y570 HydrophobicContact CB-CE1 4.09Å
115C93.3Very high94Very high9 Ų931.1 Ų31.16%0.06116%0.159CC..THydrogen-bonded Turntrans-114.327.8174-62.40000112.1N113 P262 N434N113-C115 PolarHBondContact O-N 3.12Å; C115-P262 HydrophobicContact CB-CG 4.06Å; C115-N434 HydrophobicContact CB-CB 3.85Å
116G95.6Very high94Very high0 Ų028.2 Ų28.20%015%0.148CC..  trans104.4159.6-17900000113.6N113 C215 C216 N264N113-G116 PolarHBondContact O-N 2.94Å; G116-C215 CarbonylContact C-O 3.35Å; G116-C215 WeakPolarHBondContact CA-O 3.44Å; G116-C216 WeakPolarHBondContact CA-O 3.5Å; G116-N264 PolarHBondContact O-ND2 3.47Å; G116-N264 VanDerWaalsContact O-ND2 3.13Å
117L96.3Very high94.1Very high2 Ų227.7 Ų27.71%0.0114%0.143CC..  trans-73.4168.1174.6-58-177.9000111L104 V107 L108 N113 E121 V122 C215 N264L104-L117 HydrophobicContact CD1-CD1 4.26Å; V107-L117 HydrophobicContact CG1-CD2 3.86Å; L108-L117 HydrophobicContact CD2-CD1 4.18Å; L108-L117 HydrophobicContact CD2-CD2 3.88Å; L108-L117 HydrophobicContact CD2-CG 3.91Å; N113-L117 HydrophobicContact CB-CD2 3.91Å; N113-L117 WeakPolarHBondContact ND2-CD2 3.39Å; L117-E121 HydrophobicContact CB-CB 4.02Å; L117-E121 HydrophobicContact CD1-CB 4.3Å; L117-V122 HydrophobicContact CB-CG2 3.97Å; L117-C215 HydrophobicContact CD1-CB 3.89Å; L117-C215 HydrophobicContact CG-CB 4.32Å; L117-C215 PolarHBondContact N-O 3.27Å; L117-N264 WeakPolarHBondContact O-CB 3.45Å; L117-N264 PolarHBondContact O-ND2 3.2Å
118K94.3Very high94.2Very high81 Ų8127.3 Ų27.335%0.35214%0.141SC..  trans-68156.4170.4-63.2-175.4175.1-167.50111S120 E121 V122 D382 D441K118-S120 VanDerWaalsContact C-N 3.33Å; K118-S120 PolarHBondContact O-N 2.99Å; K118-E121 HydrophobicContact CB-CG 4.34Å; K118-E121 PolarHBondContact N-OE2 3.09Å; K118-E121 VanDerWaalsContact N-OE2 3.12Å; K118-E121 WeakPolarHBondContact O-CB 3.34Å; K118-E121 PolarHBondContact O-N 2.95Å; K118-E121 VanDerWaalsContact O-N 3.12Å; K118-V122 WeakPolarHBondContact O-CG2 3.34Å; K118-V122 PolarHBondContact O-N 3.41Å; K118-D382 WeakPolarHBondContact CB-OD2 3.41Å; K118-D382 HydrophobicContact CD-CB 4.47Å; K118-D441 IonicContact NZ-OD2 3.96Å
119E93.9Very high94.3Very high4 Ų426.5 Ų26.52%0.01914%0.136CC..Hα-helixtrans-57.2-45-179.7-178.3172.389.400112.3E121 V122 L123 L265 S266 L269 H315 G380 W381E119-E121 VanDerWaalsContact C-N 3.29Å; E119-E121 PolarHBondContact O-N 3.35Å; E119-V122 PolarHBondContact O-N 3.36Å; E119-L123 HydrophobicContact CG-CD1 4.02Å; E119-L123 HydrophobicContact CG-CG 4.31Å; E119-L123 WeakPolarHBondContact O-CG 3.4Å; E119-L123 PolarHBondContact O-N 2.81Å; E119-L265 HydrophobicContact CB-CD2 4.3Å; E119-L265 HydrophobicContact CG-CD2 4.34Å; E119-S266 WeakPolarHBondContact OE2-CA 3.35Å; E119-S266 WeakPolarHBondContact OE2-CB 3.4Å; E119-S266 PolarHBondContact OE2-N 3.48Å; E119-S266 PolarHBondContact OE2-OG 3.13Å; E119-L269 HydrophobicContact CG-CD2 3.6Å; E119-L269 WeakPolarHBondContact OE2-CD2 3.43Å; E119-H315 IonicContact OE1-CE1 2.67Å; E119-H315 IonicContact OE1-NE2 2.83Å; E119-G380 VanDerWaalsContact OE1-CA 3.3Å; E119-G380 WeakPolarHBondContact OE1-CA 3.3Å; E119-W381 PolarHBondContact OE1-N 3.3Å
120S92.1Very high94.6Very high16 Ų1624 Ų2411%0.11212%0.119CC..Hα-helixtrans-55.1-41.7175.462.20000113.3K118 S124 D382K118-S120 VanDerWaalsContact C-N 3.33Å; K118-S120 PolarHBondContact O-N 2.99Å; S120-S124 WeakPolarHBondContact O-CB 3.08Å; S120-S124 PolarHBondContact O-N 3.29Å; S120-D382 WeakPolarHBondContact CB-OD1 3.28Å; S120-D382 WeakPolarHBondContact CB-OD2 3.48Å; S120-D382 PolarHBondContact N-OD1 2.91Å; S120-D382 VanDerWaalsContact N-OD1 3.1Å; S120-D382 PolarHBondContact OG-OD1 3.01Å; S120-D382 PolarHBondContact OG-OD2 3.28Å
121E94.3Very high94.8Very high63 Ų6321.3 Ų21.329%0.29411%0.112SC..Hα-helixtrans-69.8-39.4178.2-64.5179.1115.100111.6L117 K118 E119 S124 L125L117-E121 HydrophobicContact CB-CB 4.02Å; L117-E121 HydrophobicContact CD1-CB 4.3Å; K118-E121 HydrophobicContact CB-CG 4.34Å; K118-E121 PolarHBondContact N-OE2 3.09Å; K118-E121 VanDerWaalsContact N-OE2 3.12Å; K118-E121 WeakPolarHBondContact O-CB 3.34Å; K118-E121 PolarHBondContact O-N 2.95Å; K118-E121 VanDerWaalsContact O-N 3.12Å; E119-E121 VanDerWaalsContact C-N 3.29Å; E119-E121 PolarHBondContact O-N 3.35Å; E121-S124 PolarHBondContact O-N 2.83Å; E121-L125 WeakPolarHBondContact O-CB 3.25Å; E121-L125 PolarHBondContact O-N 3.01Å
122V96.1Very high95.1Very high1 Ų121.2 Ų21.21%0.00611%0.111CC..Hα-helixtrans-64.1-47174.9174.10000110.9L117 K118 E119 S124 L125 L126 L265 L273L117-V122 HydrophobicContact CB-CG2 3.97Å; K118-V122 WeakPolarHBondContact O-CG2 3.34Å; K118-V122 PolarHBondContact O-N 3.41Å; E119-V122 PolarHBondContact O-N 3.36Å; V122-S124 VanDerWaalsContact C-N 3.35Å; V122-S124 PolarHBondContact O-N 3.48Å; V122-L125 PolarHBondContact O-N 3.43Å; V122-L126 HydrophobicContact CG1-CD1 3.98Å; V122-L126 HydrophobicContact CG1-CG 4.35Å; V122-L126 WeakPolarHBondContact O-CB 3.45Å; V122-L126 VanDerWaalsContact O-CG 3.26Å; V122-L126 WeakPolarHBondContact O-CG 3.31Å; V122-L126 PolarHBondContact O-N 2.98Å; V122-L265 HydrophobicContact CB-CD2 4.23Å; V122-L265 HydrophobicContact CG1-CD2 4.28Å; V122-L265 HydrophobicContact CG2-CD2 4.14Å; V122-L273 HydrophobicContact CG1-CD2 4.4Å
123L94.4Very high95.5Very high21 Ų2117.8 Ų17.811%0.1110%0.095CC..Hα-helixtrans-61.7-42.8177.2-70.4173000111.6E119 L126 H127 L269 L308 L309E119-L123 HydrophobicContact CG-CD1 4.02Å; E119-L123 HydrophobicContact CG-CG 4.31Å; E119-L123 WeakPolarHBondContact O-CG 3.4Å; E119-L123 PolarHBondContact O-N 2.81Å; L123-L126 PolarHBondContact O-N 3.42Å; L123-H127 WeakPolarHBondContact O-CB 3.49Å; L123-H127 PolarHBondContact O-N 2.88Å; L123-L269 HydrophobicContact CD2-CD1 4.02Å; L123-L269 HydrophobicContact CD2-CD2 3.93Å; L123-L269 HydrophobicContact CG-CD2 4.22Å; L123-L308 HydrophobicContact CD2-CD2 3.94Å; L123-L309 HydrophobicContact CD2-CD2 4.08Å
124S93.8Very high95.5Very high24 Ų2418.8 Ų18.817%0.16810%0.099CC..Hα-helixtrans-61.8-45.2175.9-177.20000111.9S120 E121 V122 H127 D128 V160 H162S120-S124 WeakPolarHBondContact O-CB 3.08Å; S120-S124 PolarHBondContact O-N 3.29Å; E121-S124 PolarHBondContact O-N 2.83Å; V122-S124 VanDerWaalsContact C-N 3.35Å; V122-S124 PolarHBondContact O-N 3.48Å; S124-H127 PolarHBondContact O-N 3.15Å; S124-D128 VanDerWaalsContact O-CB 3.23Å; S124-D128 WeakPolarHBondContact O-CB 3.29Å; S124-D128 VanDerWaalsContact O-CG 3.3Å; S124-D128 PolarHBondContact O-N 3.43Å; S124-V160 PolarHBondContact OG-O 3.37Å; S124-H162 PolarHBondContact OG-CE1 3.42Å; S124-H162 PolarHBondContact OG-ND1 3.06Å
125L96.4Very high95.8Very high1 Ų119.4 Ų19.41%0.00510%0.099CC..Hα-helixtrans-60.4-47.2175.6-179.882.2000111.8L104 E121 V122 D128 V129 I151 C215L104-L125 HydrophobicContact CD1-CD1 4.27Å; L104-L125 HydrophobicContact CD2-CD1 3.55Å; L104-L125 HydrophobicContact CD2-CD2 4.43Å; E121-L125 WeakPolarHBondContact O-CB 3.25Å; E121-L125 PolarHBondContact O-N 3.01Å; V122-L125 PolarHBondContact O-N 3.43Å; L125-D128 PolarHBondContact O-N 3.4Å; L125-V129 HydrophobicContact CD1-CG2 3.63Å; L125-V129 HydrophobicContact CG-CG2 4.18Å; L125-V129 VanDerWaalsContact O-CB 3.27Å; L125-V129 WeakPolarHBondContact O-CB 3.38Å; L125-V129 WeakPolarHBondContact O-CG2 3.48Å; L125-V129 PolarHBondContact O-N 3.1Å; L125-I151 HydrophobicContact CD1-CG2 4.41Å; L125-C215 HydrophobicContact CD2-CB 3.78Å; L125-C215 WeakPolarHBondContact CD2-SG 3.39Å
126L97Very high95.9Very high1 Ų119 Ų191%0.00510%0.096CC..Hα-helixtrans-58.2-49.3179.7-80.3175.6000111.5V122 L123 G130 F208 V212 L273 L305 L308 L309V122-L126 HydrophobicContact CG1-CD1 3.98Å; V122-L126 HydrophobicContact CG1-CG 4.35Å; V122-L126 WeakPolarHBondContact O-CB 3.45Å; V122-L126 VanDerWaalsContact O-CG 3.26Å; V122-L126 WeakPolarHBondContact O-CG 3.31Å; V122-L126 PolarHBondContact O-N 2.98Å; L123-L126 PolarHBondContact O-N 3.42Å; L126-G130 WeakPolarHBondContact O-CA 3.27Å; L126-G130 PolarHBondContact O-N 2.96Å; L126-F208 HydrophobicContact CD2-CZ 4.15Å; L126-V212 HydrophobicContact CD2-CB 4.31Å; L126-V212 HydrophobicContact CD2-CG1 3.72Å; L126-V212 HydrophobicContact CD2-CG2 3.53Å; L126-L273 HydrophobicContact CD1-CD1 3.83Å; L126-L273 HydrophobicContact CD2-CD1 4.29Å; L126-L305 HydrophobicContact CB-CD1 4.03Å; L126-L305 HydrophobicContact CD1-CD1 4.31Å; L126-L305 HydrophobicContact CD2-CD1 3.81Å; L126-L305 HydrophobicContact CG-CD1 4.26Å; L126-L308 HydrophobicContact CD1-CD2 4.26Å; L126-L309 HydrophobicContact CB-CD2 4.11Å
127H95.8Very high95.8Very high71 Ų7120.4 Ų20.433%0.32910%0.102SC..Hα-helixtrans-59.8-57176.1172.3-85000111.5L123 S124 S131 L309L123-H127 WeakPolarHBondContact O-CB 3.49Å; L123-H127 PolarHBondContact O-N 2.88Å; S124-H127 PolarHBondContact O-N 3.15Å; H127-S131 WeakPolarHBondContact O-CB 3.49Å; H127-S131 PolarHBondContact O-N 3.39Å; H127-L309 HydrophobicContact CB-CD1 3.97Å; H127-L309 HydrophobicContact CB-CD2 4.21Å
128D97.2Very high95.7Very high5 Ų526.7 Ų26.73%0.02713%0.132CC..Hα-helixtrans-69-51.7-170-76.5-10.3000112.3N72 S124 L125 S131 G132 V161 H162N72-D128 WeakPolarHBondContact CB-O 3.29Å; N72-D128 VanDerWaalsContact ND2-CA 3.33Å; N72-D128 WeakPolarHBondContact ND2-CA 3.43Å; N72-D128 WeakPolarHBondContact ND2-CB 3.23Å; N72-D128 PolarHBondContact ND2-OD1 3.04Å; S124-D128 VanDerWaalsContact O-CB 3.23Å; S124-D128 WeakPolarHBondContact O-CB 3.29Å; S124-D128 VanDerWaalsContact O-CG 3.3Å; S124-D128 PolarHBondContact O-N 3.43Å; L125-D128 PolarHBondContact O-N 3.4Å; D128-S131 PolarHBondContact O-N 2.89Å; D128-G132 PolarHBondContact O-N 2.95Å; D128-V161 WeakPolarHBondContact OD2-CA 3.44Å; D128-H162 HydrophobicContact CB-CB 3.71Å; D128-H162 IonicContact OD2-CG 2.91Å; D128-H162 PolarHBondContact OD2-N 2.98Å; D128-H162 IonicContact OD2-ND1 3.28Å; D128-H162 PolarHBondContact OD2-ND1 2.72Å
129V98.2Very high95.6Very high0 Ų026.1 Ų26.10%013%0.132CC..Hα-helixtrans-71.9-37.4-178.3-178.40000110.5L125 S131 G132 I133 I151 H162 I164 F208 M211L125-V129 HydrophobicContact CD1-CG2 3.63Å; L125-V129 HydrophobicContact CG-CG2 4.18Å; L125-V129 VanDerWaalsContact O-CB 3.27Å; L125-V129 WeakPolarHBondContact O-CB 3.38Å; L125-V129 WeakPolarHBondContact O-CG2 3.48Å; L125-V129 PolarHBondContact O-N 3.1Å; V129-S131 VanDerWaalsContact C-N 3.34Å; V129-S131 PolarHBondContact O-N 3.38Å; V129-G132 PolarHBondContact O-N 3.43Å; V129-I133 HydrophobicContact CG1-CD1 3.85Å; V129-I133 HydrophobicContact CG1-CG1 4.24Å; V129-I133 VanDerWaalsContact O-CG1 3.27Å; V129-I133 WeakPolarHBondContact O-CG1 3.32Å; V129-I133 PolarHBondContact O-N 3.29Å; V129-I151 HydrophobicContact CG1-CD1 4.02Å; V129-I151 HydrophobicContact CG2-CD1 4.07Å; V129-I151 HydrophobicContact CG2-CG1 4.45Å; V129-I151 HydrophobicContact CG2-CG2 3.97Å; V129-H162 HydrophobicContact CG2-CB 3.92Å; V129-I164 HydrophobicContact CG1-CD1 4.4Å; V129-I164 HydrophobicContact CG1-CG1 4.46Å; V129-F208 HydrophobicContact CB-CE2 3.83Å; V129-F208 HydrophobicContact CB-CZ 4.43Å; V129-F208 HydrophobicContact CG1-CD2 3.86Å; V129-F208 HydrophobicContact CG1-CE2 3.68Å; V129-M211 HydrophobicContact CG1-CE 3.85Å
130G97.6Very high95.4Very high1 Ų130 Ų301%0.0115%0.149CC..Hα-helixtrans-57.8-47.1173.900000111.9L126 I133 Q134L126-G130 WeakPolarHBondContact O-CA 3.27Å; L126-G130 PolarHBondContact O-N 2.96Å; G130-I133 PolarHBondContact O-N 3.48Å; G130-Q134 WeakPolarHBondContact O-CG 3.36Å; G130-Q134 PolarHBondContact O-N 3.41Å; G130-Q134 VanDerWaalsContact O-N 3.1Å
131S97.4Very high95.4Very high38 Ų3829.8 Ų29.827%0.26615%0.147SC..Hα-helixtrans-61.5-45.5175-176.40000112.2H70 H127 D128 V129 I133 Q134 Y135H70-S131 PolarHBondContact CE1-OG 2.87Å; H70-S131 PolarHBondContact NE2-OG 3.2Å; H127-S131 WeakPolarHBondContact O-CB 3.49Å; H127-S131 PolarHBondContact O-N 3.39Å; D128-S131 PolarHBondContact O-N 2.89Å; V129-S131 VanDerWaalsContact C-N 3.34Å; V129-S131 PolarHBondContact O-N 3.38Å; S131-I133 PolarHBondContact O-N 3.18Å; S131-Q134 PolarHBondContact O-N 3.2Å; S131-Y135 PolarHBondContact O-N 3.49Å
132G97.9Very high95.2Very high0 Ų026.8 Ų26.80%013%0.133CC..Hα-helixtrans-59.9-42.1176.400000113.7D128 V129 Y135 L136D128-G132 PolarHBondContact O-N 2.95Å; V129-G132 PolarHBondContact O-N 3.43Å; G132-Y135 PolarHBondContact O-N 3.13Å; G132-L136 WeakPolarHBondContact O-CG 3.49Å; G132-L136 PolarHBondContact O-N 3.06Å; G132-L136 VanDerWaalsContact O-N 3.1Å
133I97.6Very high95.1Very high2 Ų226.7 Ų26.71%0.0113%0.132CC..Hα-helixtrans-65.5-45.4178-67.7167.5000110.7V129 G130 S131 Y135 L136 H137 L146 I164 D204 F208 F302V129-I133 HydrophobicContact CG1-CD1 3.85Å; V129-I133 HydrophobicContact CG1-CG1 4.24Å; V129-I133 VanDerWaalsContact O-CG1 3.27Å; V129-I133 WeakPolarHBondContact O-CG1 3.32Å; V129-I133 PolarHBondContact O-N 3.29Å; G130-I133 PolarHBondContact O-N 3.48Å; S131-I133 PolarHBondContact O-N 3.18Å; I133-Y135 VanDerWaalsContact C-N 3.34Å; I133-Y135 PolarHBondContact O-N 3.11Å; I133-L136 PolarHBondContact O-N 2.65Å; I133-H137 PolarHBondContact O-CD2 3.15Å; I133-H137 PolarHBondContact O-N 3.28Å; I133-L146 HydrophobicContact CD1-CD1 3.63Å; I133-L146 HydrophobicContact CG1-CD1 3.84Å; I133-I164 HydrophobicContact CG1-CD1 3.9Å; I133-D204 HydrophobicContact CG2-CB 4.5Å; I133-F208 HydrophobicContact CD1-CB 3.68Å; I133-F208 HydrophobicContact CD1-CD1 3.85Å; I133-F208 HydrophobicContact CD1-CD2 3.84Å; I133-F208 HydrophobicContact CD1-CE1 4.43Å; I133-F208 HydrophobicContact CD1-CE2 4.44Å; I133-F208 HydrophobicContact CD1-CG 3.52Å; I133-F302 HydrophobicContact CB-CZ 4.48Å; I133-F302 HydrophobicContact CG2-CZ 3.91Å
134Q95.9Very high94.9Very high29 Ų2926.7 Ų26.714%0.13613%0.131CC..Hα-helixtrans-59.1-46.7177.7-71.1173.535.500111.3G130 S131 L136 H137 E138 F302G130-Q134 WeakPolarHBondContact O-CG 3.36Å; G130-Q134 PolarHBondContact O-N 3.41Å; G130-Q134 VanDerWaalsContact O-N 3.1Å; S131-Q134 PolarHBondContact O-N 3.2Å; Q134-L136 VanDerWaalsContact C-N 3.33Å; Q134-L136 PolarHBondContact O-N 2.94Å; Q134-H137 PolarHBondContact O-N 2.99Å; Q134-H137 VanDerWaalsContact O-N 3.11Å; Q134-E138 WeakPolarHBondContact O-CG 3.49Å; Q134-E138 PolarHBondContact O-N 3.4Å; Q134-F302 HydrophobicContact CG-CD1 3.87Å; Q134-F302 HydrophobicContact CG-CD2 4.09Å; Q134-F302 HydrophobicContact CG-CE1 3.88Å; Q134-F302 HydrophobicContact CG-CE2 4.1Å; Q134-F302 HydrophobicContact CG-CG 3.95Å; Q134-F302 HydrophobicContact CG-CZ 4Å; Q134-F302 VanDerWaalsContact NE2-CG 3.33Å
135Y96.7Very high94.7Very high38 Ų3825.8 Ų25.815%0.14912%0.124CC..Hα-helixtrans-57.3-43.5176.5175.4-100000112.6L68 H69 H70 V73 S131 G132 I133 N139L68-Y135 HydrophobicContact CB-CE1 4.14Å; L68-Y135 HydrophobicContact CD2-CD1 4.44Å; L68-Y135 HydrophobicContact CD2-CE1 3.59Å; L68-Y135 HydrophobicContact CG-CE1 4.41Å; H69-Y135 PolarHBondContact N-OH 2.73Å; H69-Y135 PolarHBondContact O-OH 2.66Å; H70-Y135 HydrophobicContact CB-CD1 3.47Å; H70-Y135 VanDerWaalsContact CB-CD1 3.47Å; H70-Y135 HydrophobicContact CB-CD2 4.03Å; H70-Y135 HydrophobicContact CB-CE1 3.56Å; H70-Y135 HydrophobicContact CB-CE2 4.11Å; H70-Y135 HydrophobicContact CB-CG 3.72Å; H70-Y135 AromaticContact CD2-CD2 3.81Å; H70-Y135 AromaticContact CD2-CG 3.81Å; H70-Y135 AromaticContact CG-CD1 3.88Å; H70-Y135 AromaticContact CG-CG 3.67Å; V73-Y135 HydrophobicContact CG2-CD1 4.04Å; S131-Y135 PolarHBondContact O-N 3.49Å; G132-Y135 PolarHBondContact O-N 3.13Å; I133-Y135 VanDerWaalsContact C-N 3.34Å; I133-Y135 PolarHBondContact O-N 3.11Å; Y135-N139 VanDerWaalsContact CE2-ND2 3.27Å; Y135-N139 WeakPolarHBondContact CE2-ND2 3.27Å; Y135-N139 PolarHBondContact O-N 3.49Å; Y135-N139 VanDerWaalsContact O-N 3.11Å; Y135-N139 PolarHBondContact O-ND2 3.21Å
136L95.6Very high94.7Very high0 Ų025.8 Ų25.80%012%0.124CC..Hα-helixtrans-61.4-45.3175.8-69.4174.8000111.2L68 V73 G132 I133 Q134 N139 K140 I141 H143 I164 L167L68-L136 HydrophobicContact CD1-CD2 3.65Å; L68-L136 HydrophobicContact CD2-CD2 4.3Å; V73-L136 HydrophobicContact CG2-CD2 4.27Å; V73-L136 HydrophobicContact CG2-CG 4.3Å; G132-L136 WeakPolarHBondContact O-CG 3.49Å; G132-L136 PolarHBondContact O-N 3.06Å; G132-L136 VanDerWaalsContact O-N 3.1Å; I133-L136 PolarHBondContact O-N 2.65Å; Q134-L136 VanDerWaalsContact C-N 3.33Å; Q134-L136 PolarHBondContact O-N 2.94Å; L136-N139 CarbonylContact O-C 3.57Å; L136-N139 PolarHBondContact O-N 3.29Å; L136-K140 PolarHBondContact O-N 2.84Å; L136-I141 CarbonylContact C-O 3.48Å; L136-I141 HydrophobicContact CB-CB 4.44Å; L136-I141 HydrophobicContact CD2-CG2 4.2Å; L136-I141 WeakPolarHBondContact O-CB 3.39Å; L136-I141 PolarHBondContact O-N 3.23Å; L136-H143 HydrophobicContact CD1-CB 4.41Å; L136-I164 HydrophobicContact CD1-CD1 4.13Å; L136-I164 HydrophobicContact CD1-CG2 4.28Å; L136-L167 HydrophobicContact CD1-CD2 4.22Å; L136-L167 HydrophobicContact CD2-CD1 4.25Å; L136-L167 HydrophobicContact CD2-CD2 4.3Å
137H93.8Very high94.5Very high31 Ų3127 Ų2714%0.14413%0.129CC..Hα-helixtrans-67.7-37.1-178.4-68.3-175000112.6I133 Q134 N139 K140 I141 D204 F205I133-H137 PolarHBondContact O-CD2 3.15Å; I133-H137 PolarHBondContact O-N 3.28Å; Q134-H137 PolarHBondContact O-N 2.99Å; Q134-H137 VanDerWaalsContact O-N 3.11Å; H137-N139 VanDerWaalsContact C-N 3.29Å; H137-N139 PolarHBondContact O-N 2.89Å; H137-K140 WeakPolarHBondContact O-CA 3.39Å; H137-K140 PolarHBondContact O-N 3.42Å; H137-I141 PolarHBondContact CD2-O 2.95Å; H137-D204 IonicContact CD2-OD2 2.76Å; H137-D204 IonicContact CE1-OD2 3.95Å; H137-D204 IonicContact NE2-OD2 3.59Å; H137-D204 PolarHBondContact NE2-OD2 3.43Å; H137-F205 AromaticContact CE1-CE1 3.51Å; H137-F205 AromaticContact ND1-CE1 3.64Å
138E92.8Very high94.5Very high133 Ų13323.7 Ų23.762%0.62111%0.114SC*.Hα-helixtrans-62.7-36.7172.4-74.1174.2-178.900112.1Q134 K140Q134-E138 WeakPolarHBondContact O-CG 3.49Å; Q134-E138 PolarHBondContact O-N 3.4Å; E138-K140 PolarHBondContact O-N 3.01Å
139N92.3Very high94.4Very high69 Ų6926.6 Ų26.637%0.36913%0.127SC..THydrogen-bonded Turntrans-82.615171.1-72-84.9000112.9L68 Y135 L136 H137 I141L68-N139 HydrophobicContact CD2-CB 4.2Å; Y135-N139 VanDerWaalsContact CE2-ND2 3.27Å; Y135-N139 WeakPolarHBondContact CE2-ND2 3.27Å; Y135-N139 PolarHBondContact O-N 3.49Å; Y135-N139 VanDerWaalsContact O-N 3.11Å; Y135-N139 PolarHBondContact O-ND2 3.21Å; L136-N139 CarbonylContact O-C 3.57Å; L136-N139 PolarHBondContact O-N 3.29Å; H137-N139 VanDerWaalsContact C-N 3.29Å; H137-N139 PolarHBondContact O-N 2.89Å; N139-I141 HydrophobicContact CB-CD1 4.01Å; N139-I141 WeakPolarHBondContact O-CG1 3.46Å; N139-I141 PolarHBondContact O-N 3.15Å
140K90.9Very high94.3Very high87 Ų8727 Ų2738%0.37813%0.13SC..THydrogen-bonded Turntrans60.429.8175.1-58.2-176.1-171.2173.70114.5L136 H137 E138 D172 L173 D174L136-K140 PolarHBondContact O-N 2.84Å; H137-K140 WeakPolarHBondContact O-CA 3.39Å; H137-K140 PolarHBondContact O-N 3.42Å; E138-K140 PolarHBondContact O-N 3.01Å; K140-D172 CarbonylContact O-C 3.56Å; K140-D172 WeakPolarHBondContact O-CA 3.18Å; K140-L173 HydrophobicContact CB-CB 4.09Å; K140-L173 HydrophobicContact CB-CD1 4.32Å; K140-L173 HydrophobicContact CB-CG 4.5Å; K140-L173 WeakPolarHBondContact O-CG 3.3Å; K140-L173 PolarHBondContact O-N 3.44Å; K140-D174 VanDerWaalsContact CD-CG 3.43Å; K140-D174 WeakPolarHBondContact CD-OD1 3.34Å; K140-D174 VanDerWaalsContact CD-OD2 3.27Å; K140-D174 WeakPolarHBondContact CD-OD2 3.45Å; K140-D174 WeakPolarHBondContact CE-OD1 3.24Å; K140-D174 IonicContact NZ-OD1 3Å; K140-D174 PolarHBondContact NZ-OD1 3.3Å; K140-D174 IonicContact NZ-OD2 3.88Å; K140-D174 PolarHBondContact NZ-OD2 3.5Å
141I91.3Very high94.3Very high10 Ų1027 Ų275%0.05113%0.129CC..EExtended strand (participates in β ladder)trans-110.8120.9-179.1-68.2152.5000109.3I64 L68 L136 H137 N139 A170I64-I141 HydrophobicContact CG2-CD1 3.67Å; I64-I141 HydrophobicContact CG2-CG1 4.22Å; I64-I141 HydrophobicContact CG2-CG2 4.39Å; L68-I141 HydrophobicContact CD1-CD1 4.22Å; L68-I141 HydrophobicContact CD2-CD1 3.64Å; L68-I141 HydrophobicContact CG-CD1 4.3Å; L136-I141 CarbonylContact C-O 3.48Å; L136-I141 HydrophobicContact CB-CB 4.44Å; L136-I141 HydrophobicContact CD2-CG2 4.2Å; L136-I141 WeakPolarHBondContact O-CB 3.39Å; L136-I141 PolarHBondContact O-N 3.23Å; H137-I141 PolarHBondContact CD2-O 2.95Å; N139-I141 HydrophobicContact CB-CD1 4.01Å; N139-I141 WeakPolarHBondContact O-CG1 3.46Å; N139-I141 PolarHBondContact O-N 3.15Å; I141-A170 HydrophobicContact CG2-CB 3.86Å
142I91.3Very high94.3Very high0 Ų026 Ų260%012%0.122CC..EExtended strand (participates in β ladder)trans-92.7132168.4-41.8-179.1000108.8R144 A170 K171 L173 V201 V203 D204I142-R144 HydrophobicContact CB-CG 4.02Å; I142-R144 HydrophobicContact CG2-CG 3.57Å; I142-A170 CarbonylContact O-C 3.57Å; I142-A170 WeakPolarHBondContact O-CA 3.09Å; I142-A170 WeakPolarHBondContact O-CB 3.47Å; I142-K171 PolarHBondContact N-O 3.42Å; I142-K171 PolarHBondContact O-N 3.26Å; I142-K171 VanDerWaalsContact O-N 3.09Å; I142-L173 HydrophobicContact CD1-CD2 3.62Å; I142-L173 HydrophobicContact CD1-CG 4.48Å; I142-L173 HydrophobicContact CG1-CD2 3.85Å; I142-L173 HydrophobicContact CG1-CG 4.17Å; I142-V201 HydrophobicContact CD1-CG1 4.41Å; I142-V201 HydrophobicContact CG1-CG1 4.02Å; I142-V203 HydrophobicContact CG2-CG2 3.71Å; I142-D204 VanDerWaalsContact CG2-OD2 3.29Å; I142-D204 WeakPolarHBondContact CG2-OD2 3.43Å
143H92.8Very high94.3Very high0 Ų026.5 Ų26.50%012%0.124CC..  trans-75.4-50.7-178.3-173.4-76.3000112.9L136 D145 L146 I164 I165 L167 Y169 D204L136-H143 HydrophobicContact CD1-CB 4.41Å; H143-D145 PolarHBondContact CE1-O 3.44Å; H143-D145 VanDerWaalsContact CE1-O 3.26Å; H143-D145 PolarHBondContact ND1-N 3.47Å; H143-D145 VanDerWaalsContact ND1-N 3.16Å; H143-D145 PolarHBondContact O-N 2.97Å; H143-D145 VanDerWaalsContact O-N 3.14Å; H143-L146 HydrophobicContact CB-CD1 4.4Å; H143-L146 HydrophobicContact CB-CD2 4.11Å; H143-L146 HydrophobicContact CB-CG 3.89Å; H143-L146 PolarHBondContact ND1-N 3Å; H143-L146 VanDerWaalsContact ND1-N 3.18Å; H143-I164 VanDerWaalsContact CD2-CG2 3.46Å; H143-I164 WeakPolarHBondContact CD2-CG2 3.35Å; H143-I165 PolarHBondContact NE2-O 3.46Å; H143-L167 VanDerWaalsContact CD2-CD2 3.44Å; H143-L167 WeakPolarHBondContact CD2-CD2 3.36Å; H143-Y169 CarbonylContact O-C 3.52Å; H143-D204 PolarHBondContact N-OD2 3.19Å
144R90.1Very high94.2Very high20 Ų2028.4 Ų28.48%0.07513%0.133CC..  trans69.7-9.3176.1-50-171.9-67.9171.8-2.6117.9I142 Y169 A170 S181 V183 Y199 V203 D204I142-R144 HydrophobicContact CB-CG 4.02Å; I142-R144 HydrophobicContact CG2-CG 3.57Å; R144-Y169 PolarHBondContact NE-O 3.01Å; R144-Y169 PolarHBondContact NH2-O 3.5Å; R144-A170 PolarHBondContact NH2-O 2.93Å; R144-S181 PolarHBondContact NH1-OG 3.11Å; R144-V183 HydrophobicContact CB-CG2 4.47Å; R144-Y199 HydrophobicContact CG-CE2 4.3Å; R144-Y199 PolarHBondContact NH1-OH 3.41Å; R144-V203 HydrophobicContact CG-CG2 4.26Å; R144-D204 PolarHBondContact N-OD1 2.84Å
145D90.3Very high94Very high5 Ų529.9 Ų29.93%0.02714%0.142CC..  trans-133.342.4173.4-166.640.2000112.3H143 K147 N150 Y169 G184 T185H143-D145 PolarHBondContact CE1-O 3.44Å; H143-D145 VanDerWaalsContact CE1-O 3.26Å; H143-D145 PolarHBondContact ND1-N 3.47Å; H143-D145 VanDerWaalsContact ND1-N 3.16Å; H143-D145 PolarHBondContact O-N 2.97Å; H143-D145 VanDerWaalsContact O-N 3.14Å; D145-K147 PolarHBondContact O-N 3.03Å; D145-K147 IonicContact OD1-NZ 3.83Å; D145-K147 IonicContact OD2-NZ 3.79Å; D145-K147 PolarHBondContact OD2-NZ 3.48Å; D145-N150 PolarHBondContact O-ND2 2.87Å; D145-N150 PolarHBondContact OD2-ND2 3.3Å; D145-Y169 HydrophobicContact CB-CD2 3.92Å; D145-Y169 HydrophobicContact CB-CG 4.18Å; D145-G184 WeakPolarHBondContact OD1-CA 3.41Å; D145-T185 WeakPolarHBondContact OD1-CB 3.5Å; D145-T185 PolarHBondContact OD1-N 3.07Å; D145-T185 PolarHBondContact OD1-OG1 3.42Å
146L95.5Very high93.6Very high1 Ų131.1 Ų31.11%0.00516%0.155CC..  trans-68.9127.2176.1-72171.9000109.8I133 H143 I164 D204 S207I133-L146 HydrophobicContact CD1-CD1 3.63Å; I133-L146 HydrophobicContact CG1-CD1 3.84Å; H143-L146 HydrophobicContact CB-CD1 4.4Å; H143-L146 HydrophobicContact CB-CD2 4.11Å; H143-L146 HydrophobicContact CB-CG 3.89Å; H143-L146 PolarHBondContact ND1-N 3Å; H143-L146 VanDerWaalsContact ND1-N 3.18Å; L146-I164 HydrophobicContact CD2-CD1 4.42Å; L146-I164 HydrophobicContact CD2-CG2 4.07Å; L146-D204 HydrophobicContact CD1-CB 3.73Å; L146-S207 WeakPolarHBondContact O-CB 3.45Å
147K94Very high93.1Very high28 Ų2835.5 Ų35.512%0.12220%0.2CC..SBendtrans-165.6162.9-178.664-168.5-172.6-149.10109.7D145 E149 N150 T185 Y188D145-K147 PolarHBondContact O-N 3.03Å; D145-K147 IonicContact OD1-NZ 3.83Å; D145-K147 IonicContact OD2-NZ 3.79Å; D145-K147 PolarHBondContact OD2-NZ 3.48Å; K147-E149 WeakPolarHBondContact CB-OE2 3.39Å; K147-E149 HydrophobicContact CD-CB 4.4Å; K147-E149 WeakPolarHBondContact CD-OE2 3.35Å; K147-E149 HydrophobicContact CG-CB 4.19Å; K147-E149 VanDerWaalsContact CG-OE2 3.25Å; K147-E149 WeakPolarHBondContact CG-OE2 3.49Å; K147-E149 PolarHBondContact O-N 3.36Å; K147-E149 VanDerWaalsContact O-N 3.13Å; K147-N150 WeakPolarHBondContact CE-ND2 3.43Å; K147-N150 HydrophobicContact CG-CB 4.09Å; K147-N150 PolarHBondContact O-N 2.96Å; K147-T185 HydrophobicContact CD-CG2 4.14Å; K147-T185 WeakPolarHBondContact CD-OG1 3.32Å; K147-T185 PolarHBondContact NZ-OG1 3.35Å; K147-Y188 HydrophobicContact CB-CD2 3.69Å; K147-Y188 HydrophobicContact CB-CE2 4.04Å; K147-Y188 HydrophobicContact CB-CG 4.01Å
148P96.5Very high92.5Very high0 Ų037.2 Ų37.20%023%0.227CC..G310 helixtrans-55.6-31.7-179.9-28.436.2000115.1L104 R105 L108 N150 I151 Y188 M211L104-P148 HydrophobicContact CB-CB 4.2Å; L104-P148 WeakPolarHBondContact CB-O 3.43Å; L104-P148 HydrophobicContact CD2-CB 4.24Å; L104-P148 HydrophobicContact CG-CB 4.15Å; L104-P148 PolarHBondContact N-O 3.24Å; R105-P148 HydrophobicContact CB-CB 3.96Å; R105-P148 PolarHBondContact N-O 3.26Å; L108-P148 HydrophobicContact CD1-CB 3.82Å; L108-P148 HydrophobicContact CD1-CG 3.7Å; P148-N150 PolarHBondContact O-N 3.28Å; P148-I151 PolarHBondContact O-N 3.11Å; P148-Y188 VanDerWaalsContact CD-CZ 3.42Å; P148-Y188 HydrophobicContact CG-CE1 4.27Å; P148-M211 HydrophobicContact CG-CG 4.08Å; P148-M211 HydrophobicContact CG-SD 4.21Å
149E93.8Very high92.2Very high66 Ų6636 Ų3631%0.30822%0.219SC..G310 helixtrans-67.7-22.7177-60.777.1-172.700113R105 K147R105-E149 HydrophobicContact CB-CG 3.85Å; R105-E149 HydrophobicContact CG-CG 4.17Å; R105-E149 IonicContact CZ-OE1 2.76Å; R105-E149 IonicContact NE-OE1 3.87Å; R105-E149 PolarHBondContact NE-OE1 3.45Å; R105-E149 IonicContact NH2-OE1 2.73Å; R105-E149 PolarHBondContact NH2-OE1 3.35Å; R105-E149 VanDerWaalsContact NH2-OE1 3.12Å; R105-E149 IonicContact NH2-OE2 3.12Å; K147-E149 WeakPolarHBondContact CB-OE2 3.39Å; K147-E149 HydrophobicContact CD-CB 4.4Å; K147-E149 WeakPolarHBondContact CD-OE2 3.35Å; K147-E149 HydrophobicContact CG-CB 4.19Å; K147-E149 VanDerWaalsContact CG-OE2 3.25Å; K147-E149 WeakPolarHBondContact CG-OE2 3.49Å; K147-E149 PolarHBondContact O-N 3.36Å; K147-E149 VanDerWaalsContact O-N 3.13Å
150N95.8Very high92.2Very high9 Ų935.2 Ų35.25%0.04822%0.217CC..G310 helixtrans-100.712.4-178.9-71.2-9.2000113D145 K147 P148 I165D145-N150 PolarHBondContact O-ND2 2.87Å; D145-N150 PolarHBondContact OD2-ND2 3.3Å; K147-N150 WeakPolarHBondContact CE-ND2 3.43Å; K147-N150 HydrophobicContact CG-CB 4.09Å; K147-N150 PolarHBondContact O-N 2.96Å; P148-N150 PolarHBondContact O-N 3.28Å; N150-I165 VanDerWaalsContact C-CG1 3.47Å; N150-I165 HydrophobicContact CB-CG1 4.25Å; N150-I165 WeakPolarHBondContact O-CG1 3.39Å; N150-I165 PolarHBondContact O-N 2.92Å
151I98.1Very high92.4Very high0 Ų032 Ų320%021%0.205CC..EExtended strand (participates in β ladder)trans-115.1113.3170.6-53.3-58.9000107.7D103 L104 L125 V129 P148 H162 K163 I164 M211D103-I151 CarbonylContact C-O 3.32Å; D103-I151 VanDerWaalsContact CA-O 3.27Å; D103-I151 WeakPolarHBondContact CA-O 3.4Å; L104-I151 HydrophobicContact CB-CB 3.93Å; L104-I151 HydrophobicContact CB-CG2 4.25Å; L104-I151 HydrophobicContact CD2-CB 4.16Å; L104-I151 HydrophobicContact CD2-CG1 4.33Å; L104-I151 HydrophobicContact CD2-CG2 4.32Å; L104-I151 PolarHBondContact N-O 3.05Å; L125-I151 HydrophobicContact CD1-CG2 4.41Å; V129-I151 HydrophobicContact CG1-CD1 4.02Å; V129-I151 HydrophobicContact CG2-CD1 4.07Å; V129-I151 HydrophobicContact CG2-CG1 4.45Å; V129-I151 HydrophobicContact CG2-CG2 3.97Å; P148-I151 PolarHBondContact O-N 3.11Å; I151-H162 HydrophobicContact CG2-CB 3.89Å; I151-K163 WeakPolarHBondContact CA-O 3.12Å; I151-I164 HydrophobicContact CD1-CG1 3.87Å; I151-M211 HydrophobicContact CD1-CE 4.09Å; I151-M211 HydrophobicContact CG1-CE 3.76Å; I151-M211 HydrophobicContact CG1-SD 3.72Å
152V97.2Very high92.7Very high19 Ų1931.8 Ų31.812%0.11520%0.204CC..EExtended strand (participates in β ladder)trans-103.2152.2177.2-63.90000111.1V74 C99 G102 D103 K163 I165V74-V152 HydrophobicContact CG2-CG2 3.65Å; C99-V152 HydrophobicContact CB-CB 3.76Å; C99-V152 HydrophobicContact CB-CG2 3.63Å; C99-V152 WeakPolarHBondContact SG-CG2 3.23Å; G102-V152 CarbonylContact O-C 3.58Å; G102-V152 WeakPolarHBondContact O-CA 3.4Å; D103-V152 HydrophobicContact CB-CG1 4.46Å; V152-K163 HydrophobicContact CG2-CB 4.05Å; V152-K163 PolarHBondContact N-O 2.93Å; V152-K163 PolarHBondContact O-N 3.23Å; V152-I165 HydrophobicContact CB-CG2 4.45Å; V152-I165 HydrophobicContact CG1-CD1 3.61Å; V152-I165 HydrophobicContact CG1-CG1 4.04Å; V152-I165 HydrophobicContact CG1-CG2 4.1Å; V152-I165 HydrophobicContact CG2-CG2 3.51Å
153L97.6Very high93Very high10 Ų1032.4 Ų32.45%0.05221%0.206CC..EExtended strand (participates in β ladder)trans-114.5134.8-173.7-64.389.6000109.9C99 K101 G102 D103 L104 V107 V160 V161C99-L153 CarbonylContact C-O 3.5Å; C99-L153 WeakPolarHBondContact CB-O 3.5Å; K101-L153 HydrophobicContact CB-CB 3.67Å; K101-L153 WeakPolarHBondContact CB-O 3.46Å; K101-L153 PolarHBondContact N-O 3.1Å; G102-L153 WeakPolarHBondContact O-CD1 3.49Å; G102-L153 PolarHBondContact O-N 3.31Å; D103-L153 VanDerWaalsContact C-CD1 3.47Å; L104-L153 HydrophobicContact CB-CD1 4.11Å; L104-L153 VanDerWaalsContact N-CD1 3.34Å; V107-L153 HydrophobicContact CG2-CD1 4.11Å; V107-L153 HydrophobicContact CG2-CD2 4.01Å; L153-V160 HydrophobicContact CB-CG1 3.84Å; L153-V160 HydrophobicContact CD2-CG1 3.58Å; L153-V160 HydrophobicContact CG-CG1 4.16Å; L153-V161 WeakPolarHBondContact CA-O 3.41Å
154Q95.3Very high93.3Very high41 Ų4132.4 Ų32.419%0.19221%0.206CC..EExtended strand (participates in β ladder)trans-126.4139.9178.4177.859.5-3.100111.1C99 S100 V160 V161 K163C99-Q154 HydrophobicContact CB-CB 4.29Å; S100-Q154 PolarHBondContact OG-OE1 3.48Å; Q154-V160 WeakPolarHBondContact O-CA 3.5Å; Q154-V161 PolarHBondContact N-O 3.16Å; Q154-V161 PolarHBondContact O-N 3.41Å; Q154-K163 HydrophobicContact CB-CD 4.49Å
155D92.7Very high93.4Very high60 Ų6033.2 Ų33.232%0.32121%0.212SC..EExtended strand (participates in β ladder)trans-82.3114.8170.9-157.3-35.9000109.6K101 G158K101-D155 WeakPolarHBondContact CE-OD2 3.39Å; K101-D155 IonicContact NZ-OD2 3.99Å; K101-D155 PolarHBondContact NZ-OD2 3.41Å; D155-G158 WeakPolarHBondContact OD1-CA 3.49Å; D155-G158 PolarHBondContact OD1-N 3.34Å
156C88.8Confident93.1Very high64 Ų6435 Ų3543%0.43222%0.221SC..EExtended strand (participates in β ladder)trans-118.787.2177.8-66.80000108.5G158 K159 V161C156-G158 VanDerWaalsContact C-N 3.33Å; C156-G158 PolarHBondContact O-N 3.35Å; C156-K159 PolarHBondContact N-O 2.97Å; C156-K159 PolarHBondContact O-N 2.93Å; C156-V161 HydrophobicContact CB-CG2 3.84Å
157G83.7Confident92.3Very high92 Ų9235.1 Ų35.195%0.94822%0.222SC*.THydrogen-bonded Turntrans65.931.8176.600000114
158G82.3Confident91.2Very high68 Ų6834.1 Ų34.170%0.70122%0.219SC*.THydrogen-bonded Turntrans92.6-6.3-178.100000114.6D155 C156D155-G158 WeakPolarHBondContact OD1-CA 3.49Å; D155-G158 PolarHBondContact OD1-N 3.34Å; C156-G158 VanDerWaalsContact C-N 3.33Å; C156-G158 PolarHBondContact O-N 3.35Å
159K85.4Confident89.8Confident106 Ų10637.2 Ų37.246%0.46123%0.232SC..EExtended strand (participates in β ladder)trans-98.6132.2169.2-173.7176.3179.4-179.60109.7C156C156-K159 PolarHBondContact N-O 2.97Å; C156-K159 PolarHBondContact O-N 2.93Å
160V92.2Very high88.6Confident53 Ų5334.5 Ų34.532%0.32122%0.22SC..EExtended strand (participates in β ladder)trans-82.1122.6171.8-178.30000108.8S124 L153 Q154S124-V160 PolarHBondContact OG-O 3.37Å; L153-V160 HydrophobicContact CB-CG1 3.84Å; L153-V160 HydrophobicContact CD2-CG1 3.58Å; L153-V160 HydrophobicContact CG-CG1 4.16Å; Q154-V160 WeakPolarHBondContact O-CA 3.5Å
161V95.4Very high87.5Confident19 Ų1936 Ų3612%0.11523%0.227CC..EExtended strand (participates in β ladder)trans-108.7131178.5179.30000109.6D128 L153 Q154 C156 K163D128-V161 WeakPolarHBondContact OD2-CA 3.44Å; L153-V161 WeakPolarHBondContact CA-O 3.41Å; Q154-V161 PolarHBondContact N-O 3.16Å; Q154-V161 PolarHBondContact O-N 3.41Å; C156-V161 HydrophobicContact CB-CG2 3.84Å; V161-K163 HydrophobicContact CG1-CG 4.41Å
162H97.9Very high85.8Confident7 Ų738.3 Ų38.33%0.03224%0.239CC..EExtended strand (participates in β ladder)trans-89.2132.4175.2-53.581.5000110.5N72 S124 D128 V129 I151N72-H162 PolarHBondContact ND2-O 3.16Å; N72-H162 VanDerWaalsContact ND2-O 3.1Å; S124-H162 PolarHBondContact OG-CE1 3.42Å; S124-H162 PolarHBondContact OG-ND1 3.06Å; D128-H162 HydrophobicContact CB-CB 3.71Å; D128-H162 IonicContact OD2-CG 2.91Å; D128-H162 PolarHBondContact OD2-N 2.98Å; D128-H162 IonicContact OD2-ND1 3.28Å; D128-H162 PolarHBondContact OD2-ND1 2.72Å; V129-H162 HydrophobicContact CG2-CB 3.92Å; I151-H162 HydrophobicContact CG2-CB 3.89Å
163K98.3Very high84Confident12 Ų1239.9 Ų39.95%0.05225%0.247CC..EExtended strand (participates in β ladder)trans-129.7134.8-179.1-72.7169.1171.3-83.60111N71 N72 V74 E97 I151 V152 Q154 V161N71-K163 WeakPolarHBondContact O-CE 3.27Å; N71-K163 VanDerWaalsContact O-CG 3.26Å; N71-K163 WeakPolarHBondContact O-CG 3.35Å; N71-K163 PolarHBondContact O-NZ 3.47Å; N72-K163 WeakPolarHBondContact O-CA 3.28Å; V74-K163 HydrophobicContact CG2-CB 3.79Å; V74-K163 HydrophobicContact CG2-CD 4.24Å; E97-K163 IonicContact OE1-NZ 2.79Å; E97-K163 PolarHBondContact OE1-NZ 3.03Å; E97-K163 IonicContact OE2-NZ 2.61Å; E97-K163 PolarHBondContact OE2-NZ 3.17Å; I151-K163 WeakPolarHBondContact CA-O 3.12Å; V152-K163 HydrophobicContact CG2-CB 4.05Å; V152-K163 PolarHBondContact N-O 2.93Å; V152-K163 PolarHBondContact O-N 3.23Å; Q154-K163 HydrophobicContact CB-CD 4.49Å; V161-K163 HydrophobicContact CG1-CG 4.41Å
164I98.3Very high81.7Confident1 Ų144.4 Ų44.41%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-77.3135.6175.1-58.6171.2000109.5N72 V74 V129 I133 L136 H143 L146 I151N72-I164 PolarHBondContact O-N 3.37Å; V74-I164 PolarHBondContact N-O 2.83Å; V129-I164 HydrophobicContact CG1-CD1 4.4Å; V129-I164 HydrophobicContact CG1-CG1 4.46Å; I133-I164 HydrophobicContact CG1-CD1 3.9Å; L136-I164 HydrophobicContact CD1-CD1 4.13Å; L136-I164 HydrophobicContact CD1-CG2 4.28Å; H143-I164 VanDerWaalsContact CD2-CG2 3.46Å; H143-I164 WeakPolarHBondContact CD2-CG2 3.35Å; L146-I164 HydrophobicContact CD2-CD1 4.42Å; L146-I164 HydrophobicContact CD2-CG2 4.07Å; I151-I164 HydrophobicContact CD1-CG1 3.87Å
165I93.7Very high79.5Confident37 Ų3748.9 Ų48.919%0.1929%0.291CS..  trans-125.717317456.2157.7000111.8V74 H143 N150 V152V74-I165 HydrophobicContact CB-CG2 3.65Å; V74-I165 HydrophobicContact CG1-CG2 4.23Å; V74-I165 HydrophobicContact CG2-CG2 3.19Å; H143-I165 PolarHBondContact NE2-O 3.46Å; N150-I165 VanDerWaalsContact C-CG1 3.47Å; N150-I165 HydrophobicContact CB-CG1 4.25Å; N150-I165 WeakPolarHBondContact O-CG1 3.39Å; N150-I165 PolarHBondContact O-N 2.92Å; V152-I165 HydrophobicContact CB-CG2 4.45Å; V152-I165 HydrophobicContact CG1-CD1 3.61Å; V152-I165 HydrophobicContact CG1-CG1 4.04Å; V152-I165 HydrophobicContact CG1-CG2 4.1Å; V152-I165 HydrophobicContact CG2-CG2 3.51Å
166D82.2Confident77.4Confident42 Ų4249.6 Ų49.623%0.22531%0.313CS..  trans64.265.3168.8-159.718.1000114.9K44 G168K44-D166 IonicContact NZ-OD1 3.89Å; K44-D166 PolarHBondContact NZ-OD1 3.48Å; D166-G168 PolarHBondContact O-N 2.89Å; D166-G168 VanDerWaalsContact O-N 3.09Å
167L80.5Confident75.3Confident3 Ų348 Ų482%0.01630%0.303CS..G310 helixtrans-7616.1170.4-61.1-178.4000113.1I64 M65 L68 L136 H143 Y169 A170I64-L167 HydrophobicContact CG2-CD1 3.59Å; M65-L167 HydrophobicContact CG-CD1 4.34Å; M65-L167 HydrophobicContact SD-CB 4.14Å; M65-L167 HydrophobicContact SD-CD1 3.49Å; M65-L167 WeakPolarHBondContact SD-CD1 3.42Å; M65-L167 HydrophobicContact SD-CG 3.79Å; L68-L167 HydrophobicContact CD1-CD1 3.21Å; L136-L167 HydrophobicContact CD1-CD2 4.22Å; L136-L167 HydrophobicContact CD2-CD1 4.25Å; L136-L167 HydrophobicContact CD2-CD2 4.3Å; H143-L167 VanDerWaalsContact CD2-CD2 3.44Å; H143-L167 WeakPolarHBondContact CD2-CD2 3.36Å; L167-Y169 PolarHBondContact O-N 2.99Å; L167-A170 HydrophobicContact CB-CB 3.76Å; L167-A170 HydrophobicContact CD2-CB 3.99Å; L167-A170 HydrophobicContact CG-CB 4.41Å; L167-A170 WeakPolarHBondContact O-CB 3.37Å; L167-A170 PolarHBondContact O-N 3.25Å
168G69.1Low73.6Confident7 Ų748.7 Ų48.77%0.07228%0.284CS..G310 helixtrans-58.6-30.417700000112R57 E61 D166R57-G168 PolarHBondContact NE-O 3.28Å; R57-G168 PolarHBondContact NH2-O 3.48Å; E61-G168 VanDerWaalsContact OE2-CA 3.23Å; E61-G168 WeakPolarHBondContact OE2-CA 3.38Å; D166-G168 PolarHBondContact O-N 2.89Å; D166-G168 VanDerWaalsContact O-N 3.09Å
169Y67.4Low72.4Confident65 Ų6545.5 Ų45.526%0.25525%0.251SS..G310 helixtrans-93.23.2173.4-71.6-79.6000113.6R57 H143 R144 D145 L167 V183R57-Y169 VanDerWaalsContact CZ-CD1 3.43Å; R57-Y169 VanDerWaalsContact CZ-CE1 3.45Å; R57-Y169 VanDerWaalsContact NH2-CZ 3.27Å; H143-Y169 CarbonylContact O-C 3.52Å; R144-Y169 PolarHBondContact NE-O 3.01Å; R144-Y169 PolarHBondContact NH2-O 3.5Å; D145-Y169 HydrophobicContact CB-CD2 3.92Å; D145-Y169 HydrophobicContact CB-CG 4.18Å; L167-Y169 PolarHBondContact O-N 2.99Å; Y169-V183 HydrophobicContact CD1-CB 3.42Å; Y169-V183 VanDerWaalsContact CD1-CB 3.42Å; Y169-V183 HydrophobicContact CD1-CG1 3.85Å; Y169-V183 HydrophobicContact CD1-CG2 3.9Å; Y169-V183 HydrophobicContact CE1-CB 3.71Å; Y169-V183 HydrophobicContact CE1-CG1 3.93Å
170A69.4Low70.9Confident9 Ų945.1 Ų45.17%0.07426%0.258CS..  trans-71.9159.7-174.700000113.2I64 I141 I142 R144 L167I64-A170 HydrophobicContact CD1-CB 4.36Å; I141-A170 HydrophobicContact CG2-CB 3.86Å; I142-A170 CarbonylContact O-C 3.57Å; I142-A170 WeakPolarHBondContact O-CA 3.09Å; I142-A170 WeakPolarHBondContact O-CB 3.47Å; R144-A170 PolarHBondContact NH2-O 2.93Å; L167-A170 HydrophobicContact CB-CB 3.76Å; L167-A170 HydrophobicContact CD2-CB 3.99Å; L167-A170 HydrophobicContact CG-CB 4.41Å; L167-A170 WeakPolarHBondContact O-CB 3.37Å; L167-A170 PolarHBondContact O-N 3.25Å
171K71.4Confident69.3Low42 Ų4244.1 Ų44.118%0.18325%0.253CS..EExtended strand (participates in β ladder)trans-142.9139.7174.7-176.2174.4166.9-163.40111.4I142 C179I142-K171 PolarHBondContact N-O 3.42Å; I142-K171 PolarHBondContact O-N 3.26Å; I142-K171 VanDerWaalsContact O-N 3.09Å; K171-C179 PolarHBondContact NZ-SG 3.38Å
172D63.5Low67.8Low47 Ų4748.2 Ų48.225%0.25127%0.27SS..EExtended strand (participates in β ladder)trans-79.4131.5173.3-164.7-29.1000110.6K140 D174 S177K140-D172 CarbonylContact O-C 3.56Å; K140-D172 WeakPolarHBondContact O-CA 3.18Å; D172-D174 VanDerWaalsContact C-N 3.32Å; D172-D174 PolarHBondContact OD1-N 3.12Å; D172-S177 PolarHBondContact O-OG 2.97Å
173L59.3Low66Low53 Ų5349 Ų4928%0.27728%0.275SS..THydrogen-bonded Turntrans-73.2-20.8-179.2-67.6169.7000113.2K140 I142 Q175 S177 V201K140-L173 HydrophobicContact CB-CB 4.09Å; K140-L173 HydrophobicContact CB-CD1 4.32Å; K140-L173 HydrophobicContact CB-CG 4.5Å; K140-L173 WeakPolarHBondContact O-CG 3.3Å; K140-L173 PolarHBondContact O-N 3.44Å; I142-L173 HydrophobicContact CD1-CD2 3.62Å; I142-L173 HydrophobicContact CD1-CG 4.48Å; I142-L173 HydrophobicContact CG1-CD2 3.85Å; I142-L173 HydrophobicContact CG1-CG 4.17Å; L173-Q175 PolarHBondContact O-N 3.42Å; L173-Q175 VanDerWaalsContact O-N 3.09Å; L173-S177 VanDerWaalsContact C-OG 3.23Å; L173-S177 WeakPolarHBondContact CA-OG 3.5Å; L173-S177 WeakPolarHBondContact O-CB 3.48Å; L173-S177 PolarHBondContact O-OG 3.49Å; L173-V201 HydrophobicContact CD1-CG1 4.06Å
174D49.7Very low64.3Low105 Ų10549.5 Ų49.556%0.56128%0.283SS*.THydrogen-bonded Turntrans-71.3-5.4-171.9-78.4-22.7000115K140 D172 G176K140-D174 VanDerWaalsContact CD-CG 3.43Å; K140-D174 WeakPolarHBondContact CD-OD1 3.34Å; K140-D174 VanDerWaalsContact CD-OD2 3.27Å; K140-D174 WeakPolarHBondContact CD-OD2 3.45Å; K140-D174 WeakPolarHBondContact CE-OD1 3.24Å; K140-D174 IonicContact NZ-OD1 3Å; K140-D174 PolarHBondContact NZ-OD1 3.3Å; K140-D174 IonicContact NZ-OD2 3.88Å; K140-D174 PolarHBondContact NZ-OD2 3.5Å; D172-D174 VanDerWaalsContact C-N 3.32Å; D172-D174 PolarHBondContact OD1-N 3.12Å; D174-G176 PolarHBondContact O-N 3.36Å
175Q48.9Very low63.2Low134 Ų13451 Ų5163%0.62629%0.293SS*.THydrogen-bonded Turntrans-94.435.9177.4-67.2-176-4.500114.5L173L173-Q175 PolarHBondContact O-N 3.42Å; L173-Q175 VanDerWaalsContact O-N 3.09Å
176G47.9Very low62.6Low76 Ų7652.1 Ų52.178%0.78430%0.299SS*.THydrogen-bonded Turntrans81.242.617100000115.9D174 L178D174-G176 PolarHBondContact O-N 3.36Å; G176-L178 PolarHBondContact O-N 3Å
177S44.4Very low62.8Low30 Ų3053.4 Ų53.421%0.2130%0.303CS..  trans-96.193.2-141.9-53.90000117.7D172 L173D172-S177 PolarHBondContact O-OG 2.97Å; L173-S177 VanDerWaalsContact C-OG 3.23Å; L173-S177 WeakPolarHBondContact CA-OG 3.5Å; L173-S177 WeakPolarHBondContact O-CB 3.48Å; L173-S177 PolarHBondContact O-OG 3.49Å
178L49.3Very low63.3Low107 Ų10753.5 Ų53.556%0.5630%0.304SS*.  trans-87.9131.2135.5-83.7173.9000108.2G176 P198G176-L178 PolarHBondContact O-N 3Å; L178-P198 HydrophobicContact CB-CB 3.8Å; L178-P198 HydrophobicContact CD1-CB 3.64Å; L178-P198 HydrophobicContact CD1-CG 4.07Å; L178-P198 HydrophobicContact CD2-CB 3.42Å; L178-P198 VanDerWaalsContact CD2-CB 3.42Å; L178-P198 HydrophobicContact CG-CB 3.74Å
179C55.6Low64.2Low0 Ų053.3 Ų53.30%030%0.301CS..BIsolated β-bridgetrans-95.4135.4179.2-58.40000110.5K171 P198 Y199K171-C179 PolarHBondContact NZ-SG 3.38Å; C179-P198 CarbonylContact O-C 3.54Å; C179-P198 VanDerWaalsContact O-CA 3.29Å; C179-P198 WeakPolarHBondContact O-CA 3.44Å; C179-Y199 HydrophobicContact CB-CD1 4.03Å; C179-Y199 HydrophobicContact CB-CD2 3.5Å; C179-Y199 VanDerWaalsContact CB-CD2 3.5Å; C179-Y199 HydrophobicContact CB-CE1 3.69Å; C179-Y199 HydrophobicContact CB-CE2 3.08Å; C179-Y199 HydrophobicContact CB-CG 3.94Å; C179-Y199 PolarHBondContact N-O 2.91Å; C179-Y199 WeakPolarHBondContact O-CD1 3.5Å; C179-Y199 VanDerWaalsContact O-CE1 3.26Å; C179-Y199 WeakPolarHBondContact O-CE1 3.3Å; C179-Y199 PolarHBondContact O-N 2.87Å
180T54.2Low65.3Low98 Ų9850.2 Ų50.260%0.60129%0.289SS*.  trans-124.5-1.5-176.253.80000113.8
181S58.9Low66.2Low32 Ų3249.9 Ų49.922%0.22429%0.286CS..  trans-81.6127.3-176.760.70000112.1R144 V183 Y199R144-S181 PolarHBondContact NH1-OG 3.11Å; S181-V183 PolarHBondContact O-N 2.66Å; S181-Y199 PolarHBondContact O-OH 2.79Å; S181-Y199 PolarHBondContact OG-OH 3.25Å
182F64.1Low67Low106 Ų10648.3 Ų48.347%0.46528%0.279SS..  trans-73.5103.3170.2-170.1-97.5000110.8L186 L189 L193 F194F182-L186 HydrophobicContact CE1-CD2 4.04Å; F182-L186 HydrophobicContact CZ-CD2 3.59Å; F182-L189 HydrophobicContact CE2-CD2 3.82Å; F182-L189 HydrophobicContact CZ-CD2 4.04Å; F182-L193 WeakPolarHBondContact CD2-O 3.4Å; F182-L193 WeakPolarHBondContact CE2-O 3.27Å; F182-F194 HydrophobicContact CE2-CD1 4.43Å
183V60.4Low68Low22 Ų2246.2 Ų46.213%0.13327%0.268CS..  trans-148.2154.4-178.6-66.30000111.2R144 Y169 S181 L189R144-V183 HydrophobicContact CB-CG2 4.47Å; Y169-V183 HydrophobicContact CD1-CB 3.42Å; Y169-V183 VanDerWaalsContact CD1-CB 3.42Å; Y169-V183 HydrophobicContact CD1-CG1 3.85Å; Y169-V183 HydrophobicContact CD1-CG2 3.9Å; Y169-V183 HydrophobicContact CE1-CB 3.71Å; Y169-V183 HydrophobicContact CE1-CG1 3.93Å; S181-V183 PolarHBondContact O-N 2.66Å; V183-L189 WeakPolarHBondContact O-CD1 3.25Å
184G62.2Low69Low23 Ų2345.8 Ų45.824%0.23726%0.264CS..SBendtrans114.4178.7177.500000113.3D145D145-G184 WeakPolarHBondContact OD1-CA 3.41Å
185T74.8Confident70.4Confident34 Ų3444.3 Ų44.321%0.20926%0.256CS..  trans-89.7116.6-178.5-55.20000110D145 K147 Q187 Y188 L189D145-T185 WeakPolarHBondContact OD1-CB 3.5Å; D145-T185 PolarHBondContact OD1-N 3.07Å; D145-T185 PolarHBondContact OD1-OG1 3.42Å; K147-T185 HydrophobicContact CD-CG2 4.14Å; K147-T185 WeakPolarHBondContact CD-OG1 3.32Å; K147-T185 PolarHBondContact NZ-OG1 3.35Å; T185-Q187 PolarHBondContact O-N 3.01Å; T185-Y188 HydrophobicContact CG2-CD2 4.4Å; T185-Y188 PolarHBondContact O-N 3.46Å; T185-L189 PolarHBondContact O-N 3.44Å
186L81.8Confident71.6Confident60 Ų6042.7 Ų42.731%0.31425%0.252SS..G310 helixtrans-50.7-31.4-169.6-63.1176.5000114F182 Y188 L189 F194 P228F182-L186 HydrophobicContact CE1-CD2 4.04Å; F182-L186 HydrophobicContact CZ-CD2 3.59Å; L186-Y188 VanDerWaalsContact C-N 3.31Å; L186-Y188 PolarHBondContact O-N 3.01Å; L186-L189 HydrophobicContact CD2-CD2 4.25Å; L186-F194 HydrophobicContact CD2-CE1 4.26Å; L186-P228 HydrophobicContact CB-CB 4.01Å; L186-P228 HydrophobicContact CB-CG 3.71Å; L186-P228 WeakPolarHBondContact O-CB 3.38Å; L186-P228 WeakPolarHBondContact O-CG 3.43Å
187Q85.4Confident73.1Confident68 Ų6843.8 Ų43.832%0.31824%0.235SC..G310 helixtrans-69.7-21.3-177.8-67.580.77.500114.7T185 P228T185-Q187 PolarHBondContact O-N 3.01Å; Q187-P228 HydrophobicContact CG-CG 4.47Å
188Y91.3Very high74.9Confident5 Ų544.9 Ų44.92%0.0224%0.242CC..G310 helixtrans-119.95.6-179.6-61.8-89.5000112.4R105 K147 P148 T185 L186 S207 T210 E214 R220R105-Y188 PolarHBondContact NH2-OH 3.24Å; K147-Y188 HydrophobicContact CB-CD2 3.69Å; K147-Y188 HydrophobicContact CB-CE2 4.04Å; K147-Y188 HydrophobicContact CB-CG 4.01Å; P148-Y188 VanDerWaalsContact CD-CZ 3.42Å; P148-Y188 HydrophobicContact CG-CE1 4.27Å; T185-Y188 HydrophobicContact CG2-CD2 4.4Å; T185-Y188 PolarHBondContact O-N 3.46Å; L186-Y188 VanDerWaalsContact C-N 3.31Å; L186-Y188 PolarHBondContact O-N 3.01Å; Y188-S207 PolarHBondContact O-OG 2.85Å; Y188-T210 HydrophobicContact CD1-CG2 3.6Å; Y188-T210 HydrophobicContact CE1-CG2 3.93Å; Y188-T210 HydrophobicContact CG-CG2 4.49Å; Y188-E214 WeakPolarHBondContact CE1-OE2 3.27Å; Y188-E214 VanDerWaalsContact OH-CD 3.23Å; Y188-E214 PolarHBondContact OH-OE1 2.88Å; Y188-E214 PolarHBondContact OH-OE2 2.78Å; Y188-R220 HydrophobicContact CE1-CG 4.35Å
189L88.1Confident76.4Confident4 Ų439.9 Ų39.92%0.02122%0.215CC..  trans-73.4136.2-172.8-161.773.5000110.8F182 V183 T185 L186 L193 F194 W206F182-L189 HydrophobicContact CE2-CD2 3.82Å; F182-L189 HydrophobicContact CZ-CD2 4.04Å; V183-L189 WeakPolarHBondContact O-CD1 3.25Å; T185-L189 PolarHBondContact O-N 3.44Å; L186-L189 HydrophobicContact CD2-CD2 4.25Å; L189-L193 HydrophobicContact CD1-CB 4.11Å; L189-L193 HydrophobicContact CD1-CD1 3.69Å; L189-L193 HydrophobicContact CD1-CD2 4.21Å; L189-L193 HydrophobicContact CD1-CG 4.21Å; L189-L193 HydrophobicContact CD2-CB 3.67Å; L189-L193 HydrophobicContact CG-CB 3.73Å; L189-L193 HydrophobicContact CG-CD1 3.86Å; L189-L193 HydrophobicContact CG-CG 4.29Å; L189-F194 HydrophobicContact CB-CZ 4.05Å; L189-F194 HydrophobicContact CD2-CD1 4.26Å; L189-F194 HydrophobicContact CD2-CE1 3.9Å; L189-F194 HydrophobicContact CD2-CZ 4.09Å; L189-W206 PolarHBondContact O-NE1 3.5Å; L189-W206 VanDerWaalsContact O-NE1 3.15Å
190A90.8Very high78Confident0 Ų042.6 Ų42.60%023%0.232CC..  trans-70.6147.1177.500000112E192 L193 V203 W206A190-E192 VanDerWaalsContact C-N 3.3Å; A190-E192 WeakPolarHBondContact CB-OE2 3.5Å; A190-E192 PolarHBondContact O-N 2.94Å; A190-E192 VanDerWaalsContact O-N 3.16Å; A190-L193 HydrophobicContact CB-CD1 3.97Å; A190-L193 WeakPolarHBondContact O-CB 3.15Å; A190-L193 PolarHBondContact O-N 3.32Å; A190-L193 VanDerWaalsContact O-N 3.09Å; A190-V203 HydrophobicContact CB-CB 4.07Å; A190-V203 HydrophobicContact CB-CG1 4.08Å; A190-W206 VanDerWaalsContact CA-CD1 3.5Å; A190-W206 HydrophobicContact CB-CB 3.76Å; A190-W206 HydrophobicContact CB-CG 3.85Å
191P89Confident79.7Confident2 Ų239.8 Ų39.81%0.01321%0.214CC..Hα-helixtrans-50.3-41.7-174.9-32.535.6000116L193 F194 W206 W283P191-L193 PolarHBondContact O-N 2.98Å; P191-F194 WeakPolarHBondContact O-CD2 3.46Å; P191-F194 PolarHBondContact O-N 3.08Å; P191-W206 HydrophobicContact CG-CD2 4.31Å; P191-W206 HydrophobicContact CG-CE3 4.1Å; P191-W206 HydrophobicContact CG-CH2 3.72Å; P191-W206 HydrophobicContact CG-CZ2 3.95Å; P191-W206 HydrophobicContact CG-CZ3 3.8Å; P191-W283 HydrophobicContact CB-CD2 3.73Å; P191-W283 HydrophobicContact CB-CE3 3.81Å; P191-W283 HydrophobicContact CB-CG 4.46Å; P191-W283 HydrophobicContact CB-CH2 3.73Å; P191-W283 HydrophobicContact CB-CZ2 3.64Å; P191-W283 HydrophobicContact CB-CZ3 3.81Å; P191-W283 HydrophobicContact CG-CD2 3.77Å; P191-W283 HydrophobicContact CG-CE3 3.46Å; P191-W283 VanDerWaalsContact CG-CE3 3.46Å; P191-W283 HydrophobicContact CG-CG 4.45Å; P191-W283 HydrophobicContact CG-CH2 4.12Å; P191-W283 HydrophobicContact CG-CZ2 4.37Å; P191-W283 HydrophobicContact CG-CZ3 3.66Å
192E88.3Confident81.4Confident8 Ų838.4 Ų38.44%0.03721%0.205CC..Hα-helixtrans-63.8-22.5-176.660.7-88.8-14900113.7A190 D195 N196 K197 V203 Q285 R288A190-E192 VanDerWaalsContact C-N 3.3Å; A190-E192 WeakPolarHBondContact CB-OE2 3.5Å; A190-E192 PolarHBondContact O-N 2.94Å; A190-E192 VanDerWaalsContact O-N 3.16Å; E192-D195 PolarHBondContact O-N 2.93Å; E192-N196 PolarHBondContact O-N 2.88Å; E192-K197 HydrophobicContact CB-CB 4.3Å; E192-K197 PolarHBondContact O-N 3.32Å; E192-K197 VanDerWaalsContact O-N 3.09Å; E192-V203 HydrophobicContact CG-CG1 4.25Å; E192-V203 WeakPolarHBondContact OE1-CG1 3.47Å; E192-Q285 HydrophobicContact CG-CB 4.39Å; E192-R288 IonicContact OE1-CZ 3.63Å; E192-R288 IonicContact OE1-NH1 3.15Å; E192-R288 PolarHBondContact OE1-NH1 3.42Å; E192-R288 IonicContact OE1-NH2 2.68Å; E192-R288 IonicContact OE2-CZ 3.49Å; E192-R288 IonicContact OE2-NH1 3.53Å; E192-R288 PolarHBondContact OE2-NH1 3.28Å; E192-R288 IonicContact OE2-NH2 2.71Å; E192-R288 PolarHBondContact OE2-NH2 3.07Å
193L84.6Confident82.8Confident4 Ų433.4 Ų33.42%0.02118%0.183CC..Hα-helixtrans-72.9-30.9174.7-74.4127.9000111.8F182 L189 A190 P191 D195 N196 Y199 V203F182-L193 WeakPolarHBondContact CD2-O 3.4Å; F182-L193 WeakPolarHBondContact CE2-O 3.27Å; L189-L193 HydrophobicContact CD1-CB 4.11Å; L189-L193 HydrophobicContact CD1-CD1 3.69Å; L189-L193 HydrophobicContact CD1-CD2 4.21Å; L189-L193 HydrophobicContact CD1-CG 4.21Å; L189-L193 HydrophobicContact CD2-CB 3.67Å; L189-L193 HydrophobicContact CG-CB 3.73Å; L189-L193 HydrophobicContact CG-CD1 3.86Å; L189-L193 HydrophobicContact CG-CG 4.29Å; A190-L193 HydrophobicContact CB-CD1 3.97Å; A190-L193 WeakPolarHBondContact O-CB 3.15Å; A190-L193 PolarHBondContact O-N 3.32Å; A190-L193 VanDerWaalsContact O-N 3.09Å; P191-L193 PolarHBondContact O-N 2.98Å; L193-D195 PolarHBondContact O-N 3.26Å; L193-N196 PolarHBondContact O-N 3.2Å; L193-Y199 HydrophobicContact CD2-CD1 3.96Å; L193-Y199 HydrophobicContact CD2-CE1 3.5Å; L193-Y199 VanDerWaalsContact CD2-CE1 3.5Å; L193-Y199 HydrophobicContact CD2-CE2 4.5Å; L193-Y199 HydrophobicContact CG-CD1 4.07Å; L193-Y199 HydrophobicContact CG-CE1 4.13Å; L193-V203 HydrophobicContact CD1-CB 4.19Å; L193-V203 HydrophobicContact CD1-CG1 3.78Å
194F79.2Confident84.5Confident43 Ų4332.4 Ų32.419%0.18918%0.177CC..Hα-helixtrans-65.7-30.6174.7-59.8-68.4000112.3F182 L186 L189 P191 N196 P228 A232F182-F194 HydrophobicContact CE2-CD1 4.43Å; L186-F194 HydrophobicContact CD2-CE1 4.26Å; L189-F194 HydrophobicContact CB-CZ 4.05Å; L189-F194 HydrophobicContact CD2-CD1 4.26Å; L189-F194 HydrophobicContact CD2-CE1 3.9Å; L189-F194 HydrophobicContact CD2-CZ 4.09Å; P191-F194 WeakPolarHBondContact O-CD2 3.46Å; P191-F194 PolarHBondContact O-N 3.08Å; F194-N196 VanDerWaalsContact C-N 3.33Å; F194-P228 HydrophobicContact CE1-CB 4.04Å; F194-P228 HydrophobicContact CZ-CB 3.89Å; F194-A232 HydrophobicContact CD2-CB 4.28Å; F194-A232 HydrophobicContact CE2-CB 4.45Å
195D78.3Confident86.1Confident75 Ų7531.6 Ų31.640%0.40117%0.167SC..THydrogen-bonded Turntrans-88.23.8-180-71.3-17000113.1E192 L193 K197E192-D195 PolarHBondContact O-N 2.93Å; L193-D195 PolarHBondContact O-N 3.26Å; D195-K197 HydrophobicContact CB-CD 3.79Å; D195-K197 HydrophobicContact CB-CG 3.83Å; D195-K197 PolarHBondContact O-N 3.12Å; D195-K197 VanDerWaalsContact O-N 3.09Å; D195-K197 WeakPolarHBondContact OD2-CE 3.37Å; D195-K197 IonicContact OD2-NZ 3.31Å; D195-K197 PolarHBondContact OD2-NZ 3.35Å
196N76Confident87.2Confident100 Ų10030.1 Ų30.154%0.53516%0.158SC..THydrogen-bonded Turntrans49.730.5-171-69.8-43.7000113.6E192 L193 F194E192-N196 PolarHBondContact O-N 2.88Å; L193-N196 PolarHBondContact O-N 3.2Å; F194-N196 VanDerWaalsContact C-N 3.33Å
197K79.5Confident87.9Confident98 Ų9827.5 Ų27.543%0.42614%0.144SC..  trans-76.2151.9179.7-77169.8-179.1157.50110.4E192 D195 Y199E192-K197 HydrophobicContact CB-CB 4.3Å; E192-K197 PolarHBondContact O-N 3.32Å; E192-K197 VanDerWaalsContact O-N 3.09Å; D195-K197 HydrophobicContact CB-CD 3.79Å; D195-K197 HydrophobicContact CB-CG 3.83Å; D195-K197 PolarHBondContact O-N 3.12Å; D195-K197 VanDerWaalsContact O-N 3.09Å; D195-K197 WeakPolarHBondContact OD2-CE 3.37Å; D195-K197 IonicContact OD2-NZ 3.31Å; D195-K197 PolarHBondContact OD2-NZ 3.35Å; K197-Y199 WeakPolarHBondContact O-CD1 3.21Å; K197-Y199 PolarHBondContact O-N 3.24Å
198P80.6Confident88.6Confident54 Ų5424.2 Ų24.235%0.35113%0.129SC..  trans-48128.9161-30.839.4000112.2L178 C179 Q285L178-P198 HydrophobicContact CB-CB 3.8Å; L178-P198 HydrophobicContact CD1-CB 3.64Å; L178-P198 HydrophobicContact CD1-CG 4.07Å; L178-P198 HydrophobicContact CD2-CB 3.42Å; L178-P198 VanDerWaalsContact CD2-CB 3.42Å; L178-P198 HydrophobicContact CG-CB 3.74Å; C179-P198 CarbonylContact O-C 3.54Å; C179-P198 VanDerWaalsContact O-CA 3.29Å; C179-P198 WeakPolarHBondContact O-CA 3.44Å; P198-Q285 PolarHBondContact O-NE2 3.49Å; P198-Q285 PolarHBondContact O-OE1 2.97Å
199Y82.3Confident88.9Confident2 Ų224 Ų241%0.00813%0.128CC..BIsolated β-bridgetrans-130.3160.7-179.362.5-99.7000114.4R144 C179 S181 L193 K197 V203R144-Y199 HydrophobicContact CG-CE2 4.3Å; R144-Y199 PolarHBondContact NH1-OH 3.41Å; C179-Y199 HydrophobicContact CB-CD1 4.03Å; C179-Y199 HydrophobicContact CB-CD2 3.5Å; C179-Y199 VanDerWaalsContact CB-CD2 3.5Å; C179-Y199 HydrophobicContact CB-CE1 3.69Å; C179-Y199 HydrophobicContact CB-CE2 3.08Å; C179-Y199 HydrophobicContact CB-CG 3.94Å; C179-Y199 PolarHBondContact N-O 2.91Å; C179-Y199 WeakPolarHBondContact O-CD1 3.5Å; C179-Y199 VanDerWaalsContact O-CE1 3.26Å; C179-Y199 WeakPolarHBondContact O-CE1 3.3Å; C179-Y199 PolarHBondContact O-N 2.87Å; S181-Y199 PolarHBondContact O-OH 2.79Å; S181-Y199 PolarHBondContact OG-OH 3.25Å; L193-Y199 HydrophobicContact CD2-CD1 3.96Å; L193-Y199 HydrophobicContact CD2-CE1 3.5Å; L193-Y199 VanDerWaalsContact CD2-CE1 3.5Å; L193-Y199 HydrophobicContact CD2-CE2 4.5Å; L193-Y199 HydrophobicContact CG-CD1 4.07Å; L193-Y199 HydrophobicContact CG-CE1 4.13Å; K197-Y199 WeakPolarHBondContact O-CD1 3.21Å; K197-Y199 PolarHBondContact O-N 3.24Å; Y199-V203 HydrophobicContact CD2-CG1 3.62Å; Y199-V203 HydrophobicContact CD2-CG2 4.27Å; Y199-V203 HydrophobicContact CE2-CG1 4.49Å; Y199-V203 HydrophobicContact CG-CG1 3.84Å
200T88Confident89.4Confident57 Ų5724 Ų2435%0.3513%0.128SC..  trans-122.2-170.2-173.470.50000112A202 V203T200-A202 PolarHBondContact O-N 3.18Å; T200-A202 WeakPolarHBondContact OG1-CB 3.4Å; T200-A202 PolarHBondContact OG1-N 3.15Å; T200-V203 WeakPolarHBondContact O-CG2 3.35Å; T200-V203 PolarHBondContact O-N 3.19Å
201V91.1Very high89.7Confident38 Ų3824 Ų2423%0.2313%0.128CC..THydrogen-bonded Turntrans-54.1-20.5171.3-66.10000113.5I142 L173 V203 D204 F205I142-V201 HydrophobicContact CD1-CG1 4.41Å; I142-V201 HydrophobicContact CG1-CG1 4.02Å; L173-V201 HydrophobicContact CD1-CG1 4.06Å; V201-V203 PolarHBondContact O-N 3.01Å; V201-V203 VanDerWaalsContact O-N 3.07Å; V201-D204 PolarHBondContact O-N 2.81Å; V201-F205 HydrophobicContact CB-CZ 4.47Å; V201-F205 HydrophobicContact CG2-CE2 4.39Å; V201-F205 HydrophobicContact CG2-CZ 3.97Å
202A93Very high90.1Very high3 Ų324 Ų243%0.02513%0.128CC..Hα-helixtrans-58.6-20.9178.700000114T200 D204 F205 W206 Q285 R288T200-A202 PolarHBondContact O-N 3.18Å; T200-A202 WeakPolarHBondContact OG1-CB 3.4Å; T200-A202 PolarHBondContact OG1-N 3.15Å; A202-D204 VanDerWaalsContact C-N 3.29Å; A202-D204 PolarHBondContact O-N 3.48Å; A202-F205 HydrophobicContact CB-CD2 4.2Å; A202-F205 PolarHBondContact O-N 3.38Å; A202-W206 PolarHBondContact O-N 3.4Å; A202-Q285 HydrophobicContact CB-CB 4.47Å; A202-Q285 WeakPolarHBondContact CB-O 2.99Å; A202-R288 HydrophobicContact CB-CB 4.36Å; A202-R288 WeakPolarHBondContact O-CD 3.16Å; A202-R288 PolarHBondContact O-NH1 3.38Å
203V93.8Very high90.6Very high2 Ų223.6 Ų23.61%0.01213%0.126CC..Hα-helixtrans-62.1-38.4174.6-59.70000111.8I142 R144 A190 E192 L193 Y199 T200 V201 F205 W206 S207I142-V203 HydrophobicContact CG2-CG2 3.71Å; R144-V203 HydrophobicContact CG-CG2 4.26Å; A190-V203 HydrophobicContact CB-CB 4.07Å; A190-V203 HydrophobicContact CB-CG1 4.08Å; E192-V203 HydrophobicContact CG-CG1 4.25Å; E192-V203 WeakPolarHBondContact OE1-CG1 3.47Å; L193-V203 HydrophobicContact CD1-CB 4.19Å; L193-V203 HydrophobicContact CD1-CG1 3.78Å; Y199-V203 HydrophobicContact CD2-CG1 3.62Å; Y199-V203 HydrophobicContact CD2-CG2 4.27Å; Y199-V203 HydrophobicContact CE2-CG1 4.49Å; Y199-V203 HydrophobicContact CG-CG1 3.84Å; T200-V203 WeakPolarHBondContact O-CG2 3.35Å; T200-V203 PolarHBondContact O-N 3.19Å; V201-V203 PolarHBondContact O-N 3.01Å; V201-V203 VanDerWaalsContact O-N 3.07Å; V203-F205 VanDerWaalsContact C-N 3.3Å; V203-F205 PolarHBondContact O-N 2.97Å; V203-W206 PolarHBondContact O-N 3.28Å; V203-S207 PolarHBondContact O-N 3.01Å; V203-S207 PolarHBondContact O-OG 3.09Å
204D95.8Very high91.2Very high0 Ų023.9 Ų23.90%013%0.128CC..Hα-helixtrans-70.4-30.4179.6-71.2-16.3000110.9I133 H137 I142 H143 R144 L146 V201 A202 S207 F208I133-D204 HydrophobicContact CG2-CB 4.5Å; H137-D204 IonicContact CD2-OD2 2.76Å; H137-D204 IonicContact CE1-OD2 3.95Å; H137-D204 IonicContact NE2-OD2 3.59Å; H137-D204 PolarHBondContact NE2-OD2 3.43Å; I142-D204 VanDerWaalsContact CG2-OD2 3.29Å; I142-D204 WeakPolarHBondContact CG2-OD2 3.43Å; H143-D204 PolarHBondContact N-OD2 3.19Å; R144-D204 PolarHBondContact N-OD1 2.84Å; L146-D204 HydrophobicContact CD1-CB 3.73Å; V201-D204 PolarHBondContact O-N 2.81Å; A202-D204 VanDerWaalsContact C-N 3.29Å; A202-D204 PolarHBondContact O-N 3.48Å; D204-S207 PolarHBondContact O-N 3.4Å; D204-F208 VanDerWaalsContact O-CB 3.23Å; D204-F208 WeakPolarHBondContact O-CB 3.42Å; D204-F208 PolarHBondContact O-N 3.05Å
205F97.5Very high92.1Very high7 Ų721.9 Ų21.93%0.03112%0.119CC..Hα-helixtrans-65.1-40.5175-53.4-19.3000111.5H137 V201 A202 V203 G209 R288 P299 F302H137-F205 AromaticContact CE1-CE1 3.51Å; H137-F205 AromaticContact ND1-CE1 3.64Å; V201-F205 HydrophobicContact CB-CZ 4.47Å; V201-F205 HydrophobicContact CG2-CE2 4.39Å; V201-F205 HydrophobicContact CG2-CZ 3.97Å; A202-F205 HydrophobicContact CB-CD2 4.2Å; A202-F205 PolarHBondContact O-N 3.38Å; V203-F205 VanDerWaalsContact C-N 3.3Å; V203-F205 PolarHBondContact O-N 2.97Å; F205-G209 PolarHBondContact O-N 3.5Å; F205-R288 HydrophobicContact CB-CG 4.26Å; F205-P299 HydrophobicContact CE2-CB 4.47Å; F205-P299 HydrophobicContact CE2-CG 4.26Å; F205-P299 HydrophobicContact CZ-CB 4.48Å; F205-P299 HydrophobicContact CZ-CG 3.9Å; F205-F302 HydrophobicContact CD1-CE2 4.02Å; F205-F302 HydrophobicContact CD1-CZ 4.07Å; F205-F302 AromaticContact CE1-CE2 3.42Å; F205-F302 HydrophobicContact CE1-CE2 3.42Å; F205-F302 VanDerWaalsContact CE1-CE2 3.42Å; F205-F302 AromaticContact CE1-CZ 3.83Å; F205-F302 HydrophobicContact CE1-CZ 3.83Å; F205-F302 HydrophobicContact CZ-CE2 4.01Å
206W97.1Very high93.1Very high2 Ų218.3 Ų18.31%0.00810%0.1CC..Hα-helixtrans-64.7-48.5176.4176.7-84.2000111.4L189 A190 P191 A202 V203 F208 G209 T210 F222 W231 M280 L281 W283L189-W206 PolarHBondContact O-NE1 3.5Å; L189-W206 VanDerWaalsContact O-NE1 3.15Å; A190-W206 VanDerWaalsContact CA-CD1 3.5Å; A190-W206 HydrophobicContact CB-CB 3.76Å; A190-W206 HydrophobicContact CB-CG 3.85Å; P191-W206 HydrophobicContact CG-CD2 4.31Å; P191-W206 HydrophobicContact CG-CE3 4.1Å; P191-W206 HydrophobicContact CG-CH2 3.72Å; P191-W206 HydrophobicContact CG-CZ2 3.95Å; P191-W206 HydrophobicContact CG-CZ3 3.8Å; A202-W206 PolarHBondContact O-N 3.4Å; V203-W206 PolarHBondContact O-N 3.28Å; W206-F208 VanDerWaalsContact C-N 3.32Å; W206-F208 PolarHBondContact O-N 3.36Å; W206-G209 PolarHBondContact O-N 3.14Å; W206-T210 WeakPolarHBondContact O-CB 3.41Å; W206-T210 PolarHBondContact O-N 3.08Å; W206-T210 PolarHBondContact O-OG1 3.08Å; W206-F222 AromaticContact CH2-CD2 3.87Å; W206-F222 HydrophobicContact CH2-CD2 3.87Å; W206-F222 AromaticContact CH2-CE2 3.36Å; W206-F222 HydrophobicContact CH2-CE2 3.36Å; W206-F222 HydrophobicContact CH2-CZ 4.13Å; W206-F222 AromaticContact CZ2-CD2 3.68Å; W206-F222 HydrophobicContact CZ2-CD2 3.68Å; W206-F222 AromaticContact CZ2-CE2 3.55Å; W206-F222 HydrophobicContact CZ2-CE2 3.55Å; W206-F222 HydrophobicContact CZ3-CE2 4.17Å; W206-W231 HydrophobicContact CZ2-CH2 4.03Å; W206-W231 HydrophobicContact CZ2-CZ3 4.48Å; W206-M280 WeakPolarHBondContact CA-O 3.44Å; W206-L281 HydrophobicContact CD2-CD2 4.46Å; W206-L281 HydrophobicContact CE3-CD2 4.46Å; W206-L281 WeakPolarHBondContact CZ3-O 3.25Å; W206-W283 HydrophobicContact CH2-CE3 4.44Å
207S97.4Very high94Very high5 Ų513.7 Ų13.74%0.0358%0.075CC..Hα-helixtrans-61.8-41.6178.9-59.40000111.4L146 Y188 V203 D204 T210 M211L146-S207 WeakPolarHBondContact O-CB 3.45Å; Y188-S207 PolarHBondContact O-OG 2.85Å; V203-S207 PolarHBondContact O-N 3.01Å; V203-S207 PolarHBondContact O-OG 3.09Å; D204-S207 PolarHBondContact O-N 3.4Å; S207-T210 PolarHBondContact O-N 2.89Å; S207-M211 WeakPolarHBondContact O-CB 3.43Å; S207-M211 PolarHBondContact O-N 2.71Å
208F98.4Very high94.7Very high0 Ų010.3 Ų10.30%07%0.068CC..Hα-helixtrans-64.2-49.3175.1-175.3-139.5000112L126 V129 I133 D204 W206 T210 M211 V212 M280 L305L126-F208 HydrophobicContact CD2-CZ 4.15Å; V129-F208 HydrophobicContact CB-CE2 3.83Å; V129-F208 HydrophobicContact CB-CZ 4.43Å; V129-F208 HydrophobicContact CG1-CD2 3.86Å; V129-F208 HydrophobicContact CG1-CE2 3.68Å; I133-F208 HydrophobicContact CD1-CB 3.68Å; I133-F208 HydrophobicContact CD1-CD1 3.85Å; I133-F208 HydrophobicContact CD1-CD2 3.84Å; I133-F208 HydrophobicContact CD1-CE1 4.43Å; I133-F208 HydrophobicContact CD1-CE2 4.44Å; I133-F208 HydrophobicContact CD1-CG 3.52Å; D204-F208 VanDerWaalsContact O-CB 3.23Å; D204-F208 WeakPolarHBondContact O-CB 3.42Å; D204-F208 PolarHBondContact O-N 3.05Å; W206-F208 VanDerWaalsContact C-N 3.32Å; W206-F208 PolarHBondContact O-N 3.36Å; F208-T210 VanDerWaalsContact C-N 3.28Å; F208-T210 PolarHBondContact O-N 3.35Å; F208-M211 HydrophobicContact CD2-CE 3.99Å; F208-M211 HydrophobicContact CE2-CE 4.44Å; F208-M211 PolarHBondContact O-N 3.07Å; F208-M211 VanDerWaalsContact O-N 3.14Å; F208-V212 HydrophobicContact CD2-CG2 3.81Å; F208-V212 HydrophobicContact CE1-CG2 4.42Å; F208-V212 HydrophobicContact CE2-CG2 3.51Å; F208-V212 HydrophobicContact CG-CG2 4.37Å; F208-V212 HydrophobicContact CZ-CG2 3.86Å; F208-V212 WeakPolarHBondContact O-CG2 3.5Å; F208-V212 PolarHBondContact O-N 3.35Å; F208-M280 HydrophobicContact CD1-CE 3.61Å; F208-M280 HydrophobicContact CD1-SD 3.72Å; F208-M280 HydrophobicContact CE1-CE 3.72Å; F208-M280 HydrophobicContact CE1-SD 4.2Å; F208-M280 HydrophobicContact CG-SD 4.49Å; F208-L305 HydrophobicContact CE1-CD2 4.18Å
209G98.3Very high95.3Very high0 Ų010.2 Ų10.20%06%0.062CC..Hα-helixtrans-59.6-37.4176.600000113F205 W206 F213 L277F205-G209 PolarHBondContact O-N 3.5Å; W206-G209 PolarHBondContact O-N 3.14Å; G209-F213 WeakPolarHBondContact O-CB 3.46Å; G209-F213 PolarHBondContact O-N 3.4Å; G209-L277 VanDerWaalsContact O-CD2 3.28Å; G209-L277 WeakPolarHBondContact O-CD2 3.13Å
210T97.8Very high95.9Very high4 Ų412.5 Ų12.53%0.0257%0.071CC..Hα-helixtrans-64.9-43176.8-59.10000110.9Y188 W206 S207 F208 E214 R220 P221Y188-T210 HydrophobicContact CD1-CG2 3.6Å; Y188-T210 HydrophobicContact CE1-CG2 3.93Å; Y188-T210 HydrophobicContact CG-CG2 4.49Å; W206-T210 WeakPolarHBondContact O-CB 3.41Å; W206-T210 PolarHBondContact O-N 3.08Å; W206-T210 PolarHBondContact O-OG1 3.08Å; S207-T210 PolarHBondContact O-N 2.89Å; F208-T210 VanDerWaalsContact C-N 3.28Å; F208-T210 PolarHBondContact O-N 3.35Å; T210-E214 PolarHBondContact O-N 3.22Å; T210-E214 VanDerWaalsContact O-N 3.09Å; T210-R220 HydrophobicContact CG2-CG 4.44Å; T210-P221 HydrophobicContact CG2-CG 3.88Å
211M97.8Very high96.3Very high0 Ų09.8 Ų9.80%06%0.055CC..Hα-helixtrans-68.8-43.6177.5-177.5168.672.700112L104 V129 P148 I151 S207 F208 F213 E214 C215L104-M211 HydrophobicContact CD2-CG 4.13Å; L104-M211 HydrophobicContact CD2-SD 3.8Å; V129-M211 HydrophobicContact CG1-CE 3.85Å; P148-M211 HydrophobicContact CG-CG 4.08Å; P148-M211 HydrophobicContact CG-SD 4.21Å; I151-M211 HydrophobicContact CD1-CE 4.09Å; I151-M211 HydrophobicContact CG1-CE 3.76Å; I151-M211 HydrophobicContact CG1-SD 3.72Å; S207-M211 WeakPolarHBondContact O-CB 3.43Å; S207-M211 PolarHBondContact O-N 2.71Å; F208-M211 HydrophobicContact CD2-CE 3.99Å; F208-M211 HydrophobicContact CE2-CE 4.44Å; F208-M211 PolarHBondContact O-N 3.07Å; F208-M211 VanDerWaalsContact O-N 3.14Å; M211-F213 VanDerWaalsContact C-N 3.34Å; M211-F213 PolarHBondContact O-N 3.33Å; M211-E214 PolarHBondContact O-N 3.22Å; M211-C215 WeakPolarHBondContact O-CB 3.43Å; M211-C215 PolarHBondContact O-N 3.08Å; M211-C215 PolarHBondContact O-SG 2.93Å
212V98.4Very high96.5Very high1 Ų18.3 Ų8.31%0.0065%0.045CC..Hα-helixtrans-58.9-46.7175.5169.20000110.6L126 F208 E214 C215 C216 L273 L277L126-V212 HydrophobicContact CD2-CB 4.31Å; L126-V212 HydrophobicContact CD2-CG1 3.72Å; L126-V212 HydrophobicContact CD2-CG2 3.53Å; F208-V212 HydrophobicContact CD2-CG2 3.81Å; F208-V212 HydrophobicContact CE1-CG2 4.42Å; F208-V212 HydrophobicContact CE2-CG2 3.51Å; F208-V212 HydrophobicContact CG-CG2 4.37Å; F208-V212 HydrophobicContact CZ-CG2 3.86Å; F208-V212 WeakPolarHBondContact O-CG2 3.5Å; F208-V212 PolarHBondContact O-N 3.35Å; V212-E214 VanDerWaalsContact C-N 3.33Å; V212-E214 PolarHBondContact O-N 2.9Å; V212-C215 PolarHBondContact O-N 3.34Å; V212-C216 PolarHBondContact O-N 2.99Å; V212-C216 PolarHBondContact O-SG 2.84Å; V212-L273 HydrophobicContact CG1-CD1 3.97Å; V212-L277 HydrophobicContact CB-CD2 4.05Å; V212-L277 HydrophobicContact CG1-CD2 3.85Å; V212-L277 HydrophobicContact CG1-CG 4.46Å
213F98.4Very high96.4Very high0 Ų08.3 Ų8.30%04%0.044CC..Hα-helixtrans-57.6-46.8175.3-178.1-76.7000111.4G209 M211 C215 C216 C217 F219 P221 M244 L259 L277G209-F213 WeakPolarHBondContact O-CB 3.46Å; G209-F213 PolarHBondContact O-N 3.4Å; M211-F213 VanDerWaalsContact C-N 3.34Å; M211-F213 PolarHBondContact O-N 3.33Å; F213-C215 VanDerWaalsContact C-N 3.31Å; F213-C215 PolarHBondContact O-N 3.14Å; F213-C216 PolarHBondContact O-N 3.4Å; F213-C217 HydrophobicContact CD1-CB 4.32Å; F213-C217 HydrophobicContact CE1-CB 3.83Å; F213-C217 HydrophobicContact CZ-CB 4.25Å; F213-C217 PolarHBondContact O-N 3.41Å; F213-F219 VanDerWaalsContact CD1-O 3.24Å; F213-F219 WeakPolarHBondContact CD1-O 3.49Å; F213-F219 HydrophobicContact CE1-CD2 4.19Å; F213-F219 AromaticContact CE1-CE2 3.83Å; F213-F219 HydrophobicContact CE1-CE2 3.83Å; F213-F219 HydrophobicContact CE1-CZ 4.18Å; F213-F219 WeakPolarHBondContact CE1-O 3.43Å; F213-F219 HydrophobicContact CZ-CE2 4.19Å; F213-F219 HydrophobicContact CZ-CZ 4.32Å; F213-P221 HydrophobicContact CB-CB 4.23Å; F213-P221 HydrophobicContact CB-CG 4.3Å; F213-P221 VanDerWaalsContact CD1-CA 3.48Å; F213-P221 HydrophobicContact CD1-CB 3.71Å; F213-P221 HydrophobicContact CD1-CG 4.24Å; F213-P221 HydrophobicContact CD2-CB 3.97Å; F213-P221 VanDerWaalsContact CE1-CA 3.44Å; F213-P221 HydrophobicContact CE1-CB 4.07Å; F213-P221 HydrophobicContact CE2-CB 4.28Å; F213-P221 HydrophobicContact CG-CB 3.68Å; F213-P221 HydrophobicContact CG-CG 4.23Å; F213-P221 HydrophobicContact CZ-CB 4.33Å; F213-M244 HydrophobicContact CE2-CB 3.91Å; F213-M244 HydrophobicContact CE2-CG 4.38Å; F213-M244 HydrophobicContact CZ-CB 3.96Å; F213-M244 HydrophobicContact CZ-CG 3.92Å; F213-M244 HydrophobicContact CZ-SD 3.83Å; F213-L259 HydrophobicContact CD2-CD2 3.79Å; F213-L259 HydrophobicContact CE2-CD2 3.9Å; F213-L277 HydrophobicContact CB-CD2 4.39Å; F213-L277 HydrophobicContact CD2-CD1 4.36Å
214E97.8Very high95.9Very high11 Ų119.8 Ų9.85%0.0515%0.051CC..Hα-helixtrans-63-37.5178.3-175.3-178.2-157.500112.5R105 L108 Y188 T210 M211 V212 C216 G218 F219R105-E214 IonicContact CZ-OE1 2.74Å; R105-E214 IonicContact NH1-OE1 3.42Å; R105-E214 PolarHBondContact NH1-OE1 3.1Å; R105-E214 IonicContact NH1-OE2 2.75Å; R105-E214 IonicContact NH2-OE1 3.79Å; L108-E214 HydrophobicContact CD1-CG 4.23Å; Y188-E214 WeakPolarHBondContact CE1-OE2 3.27Å; Y188-E214 VanDerWaalsContact OH-CD 3.23Å; Y188-E214 PolarHBondContact OH-OE1 2.88Å; Y188-E214 PolarHBondContact OH-OE2 2.78Å; T210-E214 PolarHBondContact O-N 3.22Å; T210-E214 VanDerWaalsContact O-N 3.09Å; M211-E214 PolarHBondContact O-N 3.22Å; V212-E214 VanDerWaalsContact C-N 3.33Å; V212-E214 PolarHBondContact O-N 2.9Å; E214-C216 VanDerWaalsContact C-N 3.26Å; E214-C216 PolarHBondContact O-N 3.47Å; E214-G218 VanDerWaalsContact O-CA 3.23Å; E214-G218 WeakPolarHBondContact O-CA 3.49Å; E214-G218 PolarHBondContact O-N 2.7Å; E214-F219 VanDerWaalsContact CA-O 3.3Å; E214-F219 WeakPolarHBondContact CA-O 3.49Å
215C98.1Very high95.2Very high0 Ų014 Ų140%07%0.074CC..Hα-helixtrans-64.9-29.9173.3-70.40000112.6L108 G116 L117 L125 M211 V212 F213L108-C215 HydrophobicContact CD2-CB 4.44Å; G116-C215 CarbonylContact C-O 3.35Å; G116-C215 WeakPolarHBondContact CA-O 3.44Å; L117-C215 HydrophobicContact CD1-CB 3.89Å; L117-C215 HydrophobicContact CG-CB 4.32Å; L117-C215 PolarHBondContact N-O 3.27Å; L125-C215 HydrophobicContact CD2-CB 3.78Å; L125-C215 WeakPolarHBondContact CD2-SG 3.39Å; M211-C215 WeakPolarHBondContact O-CB 3.43Å; M211-C215 PolarHBondContact O-N 3.08Å; M211-C215 PolarHBondContact O-SG 2.93Å; V212-C215 PolarHBondContact O-N 3.34Å; F213-C215 VanDerWaalsContact C-N 3.31Å; F213-C215 PolarHBondContact O-N 3.14Å
216C97.6Very high94.6Very high0 Ų017.3 Ų17.30%09%0.086CC..Hα-helixtrans-82.3-35.7178.1-61.10000113.2G116 V212 F213 E214 L259 N263 L265 L273G116-C216 WeakPolarHBondContact CA-O 3.5Å; V212-C216 PolarHBondContact O-N 2.99Å; V212-C216 PolarHBondContact O-SG 2.84Å; F213-C216 PolarHBondContact O-N 3.4Å; E214-C216 VanDerWaalsContact C-N 3.26Å; E214-C216 PolarHBondContact O-N 3.47Å; C216-L259 HydrophobicContact CB-CD2 4.32Å; C216-N263 VanDerWaalsContact O-CB 3.31Å; C216-N263 WeakPolarHBondContact O-CB 3.39Å; C216-L265 HydrophobicContact CB-CD1 4.22Å; C216-L273 VanDerWaalsContact SG-CD2 3.51Å
217C95.5Very high93.9Very high4 Ų422.9 Ų22.93%0.02711%0.112CC..Hα-helixtrans-113.6-11.6-169.5-63.20000114.3F213 F219 A260F213-C217 HydrophobicContact CD1-CB 4.32Å; F213-C217 HydrophobicContact CE1-CB 3.83Å; F213-C217 HydrophobicContact CZ-CB 4.25Å; F213-C217 PolarHBondContact O-N 3.41Å; C217-F219 VanDerWaalsContact C-N 3.27Å; C217-F219 HydrophobicContact CB-CD1 4Å; C217-F219 HydrophobicContact CB-CE1 3.74Å; C217-F219 HydrophobicContact CB-CZ 4.26Å; C217-F219 VanDerWaalsContact O-CD1 3.25Å; C217-F219 WeakPolarHBondContact O-CD1 3.38Å; C217-F219 PolarHBondContact O-N 3.33Å; C217-A260 HydrophobicContact CB-CB 4.32Å
218G94.4Very high93.1Very high27 Ų2722.7 Ų22.728%0.27811%0.111SC..SBendtrans79.80.2-176.300000114.9E214E214-G218 VanDerWaalsContact O-CA 3.23Å; E214-G218 WeakPolarHBondContact O-CA 3.49Å; E214-G218 PolarHBondContact O-N 2.7Å
219F93Very high92.2Very high51 Ų5128 Ų2822%0.22414%0.143CC..SBendtrans-146.6159.617868.1-89.6000111.9F213 E214 C217 H224 M244 V246 A260F213-F219 VanDerWaalsContact CD1-O 3.24Å; F213-F219 WeakPolarHBondContact CD1-O 3.49Å; F213-F219 HydrophobicContact CE1-CD2 4.19Å; F213-F219 AromaticContact CE1-CE2 3.83Å; F213-F219 HydrophobicContact CE1-CE2 3.83Å; F213-F219 HydrophobicContact CE1-CZ 4.18Å; F213-F219 WeakPolarHBondContact CE1-O 3.43Å; F213-F219 HydrophobicContact CZ-CE2 4.19Å; F213-F219 HydrophobicContact CZ-CZ 4.32Å; E214-F219 VanDerWaalsContact CA-O 3.3Å; E214-F219 WeakPolarHBondContact CA-O 3.49Å; C217-F219 VanDerWaalsContact C-N 3.27Å; C217-F219 HydrophobicContact CB-CD1 4Å; C217-F219 HydrophobicContact CB-CE1 3.74Å; C217-F219 HydrophobicContact CB-CZ 4.26Å; C217-F219 VanDerWaalsContact O-CD1 3.25Å; C217-F219 WeakPolarHBondContact O-CD1 3.38Å; C217-F219 PolarHBondContact O-N 3.33Å; F219-H224 AromaticContact CD2-CE1 3.75Å; F219-H224 AromaticContact CD2-ND1 3.36Å; F219-H224 WeakPolarHBondContact CD2-ND1 3.28Å; F219-H224 AromaticContact CE2-ND1 4Å; F219-M244 HydrophobicContact CE2-SD 4.22Å; F219-M244 HydrophobicContact CZ-SD 4.02Å; F219-V246 HydrophobicContact CE2-CG1 3.99Å; F219-V246 HydrophobicContact CZ-CG1 4.42Å; F219-A260 HydrophobicContact CE1-CB 3.75Å; F219-A260 HydrophobicContact CZ-CB 3.49Å; F219-A260 VanDerWaalsContact CZ-CB 3.49Å
220R95.1Very high91.5Very high50 Ų5033.5 Ų33.519%0.18917%0.169CC..  trans-71146.9-177.7-74.2172.6-77.8134.63.8112.8Y188 T210 F222 H224Y188-R220 HydrophobicContact CE1-CG 4.35Å; T210-R220 HydrophobicContact CG2-CG 4.44Å; R220-F222 PolarHBondContact O-N 3.3Å; R220-H224 HydrophobicContact CB-CB 3.99Å; R220-H224 PolarHBondContact NH2-O 2.84Å
221P96.3Very high91Very high1 Ų133.7 Ų33.71%0.00617%0.169CC..THydrogen-bonded Turntrans-61-35-171.121-33.5000115.3T210 F213 I243 M244 A245 L281T210-P221 HydrophobicContact CG2-CG 3.88Å; F213-P221 HydrophobicContact CB-CB 4.23Å; F213-P221 HydrophobicContact CB-CG 4.3Å; F213-P221 VanDerWaalsContact CD1-CA 3.48Å; F213-P221 HydrophobicContact CD1-CB 3.71Å; F213-P221 HydrophobicContact CD1-CG 4.24Å; F213-P221 HydrophobicContact CD2-CB 3.97Å; F213-P221 VanDerWaalsContact CE1-CA 3.44Å; F213-P221 HydrophobicContact CE1-CB 4.07Å; F213-P221 HydrophobicContact CE2-CB 4.28Å; F213-P221 HydrophobicContact CG-CB 3.68Å; F213-P221 HydrophobicContact CG-CG 4.23Å; F213-P221 HydrophobicContact CZ-CB 4.33Å; P221-I243 WeakPolarHBondContact CB-O 3.38Å; P221-M244 CarbonylContact O-C 3.32Å; P221-M244 VanDerWaalsContact O-CA 3.28Å; P221-M244 WeakPolarHBondContact O-CA 3.46Å; P221-A245 PolarHBondContact O-N 3.34Å; P221-L281 HydrophobicContact CB-CD1 4.2Å; P221-L281 HydrophobicContact CG-CD1 4.33Å
222F95.3Very high90.5Very high6 Ų634.2 Ų34.23%0.02617%0.173CC..BIsolated β-bridgetrans-119.8110.4-168.9-58.5-58.2000111.1W206 R220 H224 W231 V235 K238 A245 L281W206-F222 AromaticContact CH2-CD2 3.87Å; W206-F222 HydrophobicContact CH2-CD2 3.87Å; W206-F222 AromaticContact CH2-CE2 3.36Å; W206-F222 HydrophobicContact CH2-CE2 3.36Å; W206-F222 HydrophobicContact CH2-CZ 4.13Å; W206-F222 AromaticContact CZ2-CD2 3.68Å; W206-F222 HydrophobicContact CZ2-CD2 3.68Å; W206-F222 AromaticContact CZ2-CE2 3.55Å; W206-F222 HydrophobicContact CZ2-CE2 3.55Å; W206-F222 HydrophobicContact CZ3-CE2 4.17Å; R220-F222 PolarHBondContact O-N 3.3Å; F222-H224 VanDerWaalsContact C-N 3.3Å; F222-H224 PolarHBondContact O-N 3.24Å; F222-H224 VanDerWaalsContact O-N 3.1Å; F222-W231 HydrophobicContact CB-CD2 4.35Å; F222-W231 HydrophobicContact CB-CE3 4.07Å; F222-W231 HydrophobicContact CB-CH2 4.45Å; F222-W231 HydrophobicContact CB-CZ3 4.12Å; F222-V235 HydrophobicContact CB-CG1 4.28Å; F222-V235 HydrophobicContact CB-CG2 4.04Å; F222-V235 HydrophobicContact CD1-CG1 3.68Å; F222-V235 HydrophobicContact CD1-CG2 4.33Å; F222-V235 HydrophobicContact CD2-CG1 4.32Å; F222-V235 HydrophobicContact CE1-CG1 4.09Å; F222-V235 HydrophobicContact CG-CG1 3.82Å; F222-V235 HydrophobicContact CG-CG2 4.39Å; F222-K238 HydrophobicContact CE1-CD 4.3Å; F222-K238 HydrophobicContact CZ-CD 4.3Å; F222-A245 HydrophobicContact CD1-CB 3.94Å; F222-L281 HydrophobicContact CE2-CB 4.35Å; F222-L281 HydrophobicContact CE2-CD1 4.39Å; F222-L281 HydrophobicContact CE2-CD2 4.19Å; F222-L281 HydrophobicContact CZ-CB 4.12Å; F222-L281 HydrophobicContact CZ-CD1 4.28Å
223L90Very high90Very high3 Ų336.6 Ų36.62%0.01620%0.198CC..THydrogen-bonded Turntrans38.656.6172.2-62.6176.5000112.7N225 W226 W231 I234 V235 A245 E247 V253L223-N225 PolarHBondContact O-N 3.35Å; L223-W226 HydrophobicContact CB-CB 4.08Å; L223-W226 HydrophobicContact CB-CD2 4.49Å; L223-W226 HydrophobicContact CB-CG 4.01Å; L223-W226 HydrophobicContact CD1-CD2 4.29Å; L223-W226 HydrophobicContact CD1-CE3 4.32Å; L223-W226 WeakPolarHBondContact O-CB 3.45Å; L223-W226 PolarHBondContact O-N 3.04Å; L223-W231 HydrophobicContact CB-CB 3.64Å; L223-W231 HydrophobicContact CB-CG 4.22Å; L223-W231 HydrophobicContact CD1-CB 3.67Å; L223-W231 HydrophobicContact CG-CB 4.19Å; L223-I234 HydrophobicContact CD1-CB 4.33Å; L223-I234 HydrophobicContact CD1-CD1 4.09Å; L223-I234 HydrophobicContact CD1-CG2 4.31Å; L223-V235 HydrophobicContact CD1-CG2 4.36Å; L223-A245 HydrophobicContact CG-CB 4.4Å; L223-A245 PolarHBondContact N-O 2.8Å; L223-E247 HydrophobicContact CD2-CB 4.29Å; L223-V253 HydrophobicContact CD1-CG1 4.3Å; L223-V253 HydrophobicContact CD1-CG2 4.18Å; L223-V253 HydrophobicContact CD2-CG1 4.06Å; L223-V253 HydrophobicContact CD2-CG2 3.99Å
224H84.4Confident89.6Confident34 Ų3439 Ų3916%0.15721%0.21CC..THydrogen-bonded Turntrans-56.4-21.5-168.356.3-88.5000115.7F219 R220 F222F219-H224 AromaticContact CD2-CE1 3.75Å; F219-H224 AromaticContact CD2-ND1 3.36Å; F219-H224 WeakPolarHBondContact CD2-ND1 3.28Å; F219-H224 AromaticContact CE2-ND1 4Å; R220-H224 HydrophobicContact CB-CB 3.99Å; R220-H224 PolarHBondContact NH2-O 2.84Å; F222-H224 VanDerWaalsContact C-N 3.3Å; F222-H224 PolarHBondContact O-N 3.24Å; F222-H224 VanDerWaalsContact O-N 3.1Å
225N81.8Confident89.4Confident89 Ų8938.4 Ų38.448%0.47621%0.208SC..THydrogen-bonded Turntrans-87-13.2176.9-72.9-16.8000113.7L223 K427L223-N225 PolarHBondContact O-N 3.35Å; N225-K427 PolarHBondContact ND2-NZ 3.19Å; N225-K427 VanDerWaalsContact ND2-NZ 3.17Å
226W83.9Confident89.1Confident75 Ų7544.1 Ų44.128%0.28423%0.233SC..SBendtrans-93.4155.4-176.1-6940.2000110.8L223 Q230 W231 I234 E247L223-W226 HydrophobicContact CB-CB 4.08Å; L223-W226 HydrophobicContact CB-CD2 4.49Å; L223-W226 HydrophobicContact CB-CG 4.01Å; L223-W226 HydrophobicContact CD1-CD2 4.29Å; L223-W226 HydrophobicContact CD1-CE3 4.32Å; L223-W226 WeakPolarHBondContact O-CB 3.45Å; L223-W226 PolarHBondContact O-N 3.04Å; W226-Q230 HydrophobicContact CE3-CB 4.13Å; W226-W231 HydrophobicContact CB-CB 4.1Å; W226-I234 HydrophobicContact CE3-CD1 4.12Å; W226-I234 HydrophobicContact CH2-CD1 3.78Å; W226-I234 HydrophobicContact CZ3-CD1 3.36Å; W226-E247 PolarHBondContact NE1-OE2 2.99Å
227Q81.6Confident88.8Confident119 Ų11950.3 Ų50.356%0.55627%0.266SS*.  trans-69.6141.6172.7-65.5-63.5-27.700110.3V229 Q230 W231Q227-V229 VanDerWaalsContact C-N 3.29Å; Q227-V229 PolarHBondContact O-N 3.07Å; Q227-V229 VanDerWaalsContact O-N 3.16Å; Q227-Q230 HydrophobicContact CB-CG 4.21Å; Q227-Q230 WeakPolarHBondContact O-CA 3.5Å; Q227-Q230 WeakPolarHBondContact O-CB 3.33Å; Q227-Q230 PolarHBondContact O-N 2.9Å; Q227-W231 PolarHBondContact O-N 3.04Å; Q227-W231 VanDerWaalsContact O-N 3.08Å
228P81.1Confident88.8Confident2 Ų251.1 Ų51.11%0.01327%0.269CS..Hα-helixtrans-51.1-41.8-176.7-33.140.1000116.3L186 Q187 F194 Q230 W231 A232L186-P228 HydrophobicContact CB-CB 4.01Å; L186-P228 HydrophobicContact CB-CG 3.71Å; L186-P228 WeakPolarHBondContact O-CB 3.38Å; L186-P228 WeakPolarHBondContact O-CG 3.43Å; Q187-P228 HydrophobicContact CG-CG 4.47Å; F194-P228 HydrophobicContact CE1-CB 4.04Å; F194-P228 HydrophobicContact CZ-CB 3.89Å; P228-Q230 VanDerWaalsContact C-N 3.29Å; P228-Q230 PolarHBondContact O-N 3.1Å; P228-W231 VanDerWaalsContact CA-CD1 3.49Å; P228-W231 VanDerWaalsContact CA-NE1 3.33Å; P228-W231 HydrophobicContact CB-CZ2 4.49Å; P228-A232 WeakPolarHBondContact O-CB 3.41Å; P228-A232 PolarHBondContact O-N 3.34Å
229V79.5Confident88.8Confident110 Ų11050.9 Ų50.967%0.66727%0.266SS*.Hα-helixtrans-63.9-35.6177.7-1780000111.9Q227Q227-V229 VanDerWaalsContact C-N 3.29Å; Q227-V229 PolarHBondContact O-N 3.07Å; Q227-V229 VanDerWaalsContact O-N 3.16Å
230Q84.8Confident88.7Confident117 Ų11753.7 Ų53.755%0.54729%0.29SS..Hα-helixtrans-73-49.4179.9-63.4173.9-48.100111W226 Q227 P228 A232W226-Q230 HydrophobicContact CE3-CB 4.13Å; Q227-Q230 HydrophobicContact CB-CG 4.21Å; Q227-Q230 WeakPolarHBondContact O-CA 3.5Å; Q227-Q230 WeakPolarHBondContact O-CB 3.33Å; Q227-Q230 PolarHBondContact O-N 2.9Å; P228-Q230 VanDerWaalsContact C-N 3.29Å; P228-Q230 PolarHBondContact O-N 3.1Å; Q230-A232 VanDerWaalsContact C-N 3.33Å; Q230-A232 PolarHBondContact O-N 2.83Å
231W86.9Confident88.7Confident7 Ų757.3 Ų57.33%0.02731%0.307CS..Hα-helixtrans-70.9-30-178.170.8-118.2000112.6W206 F222 L223 W226 Q227 P228 G233 I234 V235 W283W206-W231 HydrophobicContact CZ2-CH2 4.03Å; W206-W231 HydrophobicContact CZ2-CZ3 4.48Å; F222-W231 HydrophobicContact CB-CD2 4.35Å; F222-W231 HydrophobicContact CB-CE3 4.07Å; F222-W231 HydrophobicContact CB-CH2 4.45Å; F222-W231 HydrophobicContact CB-CZ3 4.12Å; L223-W231 HydrophobicContact CB-CB 3.64Å; L223-W231 HydrophobicContact CB-CG 4.22Å; L223-W231 HydrophobicContact CD1-CB 3.67Å; L223-W231 HydrophobicContact CG-CB 4.19Å; W226-W231 HydrophobicContact CB-CB 4.1Å; Q227-W231 PolarHBondContact O-N 3.04Å; Q227-W231 VanDerWaalsContact O-N 3.08Å; P228-W231 VanDerWaalsContact CA-CD1 3.49Å; P228-W231 VanDerWaalsContact CA-NE1 3.33Å; P228-W231 HydrophobicContact CB-CZ2 4.49Å; W231-G233 PolarHBondContact O-N 2.85Å; W231-I234 PolarHBondContact O-N 3.44Å; W231-V235 HydrophobicContact CD2-CG2 4.4Å; W231-V235 HydrophobicContact CE3-CB 3.6Å; W231-V235 HydrophobicContact CE3-CG1 4.09Å; W231-V235 HydrophobicContact CE3-CG2 3.5Å; W231-V235 VanDerWaalsContact CE3-CG2 3.5Å; W231-V235 HydrophobicContact CZ3-CB 3.83Å; W231-V235 HydrophobicContact CZ3-CG1 3.85Å; W231-V235 HydrophobicContact CZ3-CG2 4.13Å; W231-V235 WeakPolarHBondContact O-CG2 3.46Å; W231-V235 PolarHBondContact O-N 3.49Å; W231-W283 HydrophobicContact CZ3-CZ3 4.38Å
232A87.1Confident88.8Confident11 Ų1158.4 Ų58.49%0.09131%0.313CS..Hα-helixtrans-56.5-38.2179.600000112.4F194 P228 Q230 I234 K236 W283F194-A232 HydrophobicContact CD2-CB 4.28Å; F194-A232 HydrophobicContact CE2-CB 4.45Å; P228-A232 WeakPolarHBondContact O-CB 3.41Å; P228-A232 PolarHBondContact O-N 3.34Å; Q230-A232 VanDerWaalsContact C-N 3.33Å; Q230-A232 PolarHBondContact O-N 2.83Å; A232-I234 VanDerWaalsContact C-N 3.26Å; A232-I234 PolarHBondContact O-N 3.25Å; A232-K236 WeakPolarHBondContact O-CB 3.34Å; A232-K236 PolarHBondContact O-N 3.05Å; A232-W283 HydrophobicContact CB-CH2 4.24Å; A232-W283 VanDerWaalsContact O-CH2 3.3Å; A232-W283 WeakPolarHBondContact O-CH2 2.99Å
233G87.4Confident88.9Confident51 Ų5158.1 Ų58.153%0.52631%0.311SS..Hα-helixtrans-62.4-31.1176.400000113.8W231W231-G233 PolarHBondContact O-N 2.85Å
234I91Very high89.2Confident50 Ų5058.8 Ų58.826%0.25632%0.315SS..Hα-helixtrans-84.8-49.8178.7-60.8174.5000110.3L223 W226 W231 A232 K236 N237 V253 F255L223-I234 HydrophobicContact CD1-CB 4.33Å; L223-I234 HydrophobicContact CD1-CD1 4.09Å; L223-I234 HydrophobicContact CD1-CG2 4.31Å; W226-I234 HydrophobicContact CE3-CD1 4.12Å; W226-I234 HydrophobicContact CH2-CD1 3.78Å; W226-I234 HydrophobicContact CZ3-CD1 3.36Å; W231-I234 PolarHBondContact O-N 3.44Å; A232-I234 VanDerWaalsContact C-N 3.26Å; A232-I234 PolarHBondContact O-N 3.25Å; I234-K236 PolarHBondContact O-N 3.45Å; I234-N237 WeakPolarHBondContact O-CB 3.38Å; I234-N237 PolarHBondContact O-N 2.87Å; I234-V253 HydrophobicContact CD1-CG2 4.42Å; I234-V253 HydrophobicContact CG2-CB 4.41Å; I234-V253 HydrophobicContact CG2-CG1 4.02Å; I234-V253 HydrophobicContact CG2-CG2 4.38Å; I234-F255 HydrophobicContact CG2-CZ 4.13Å
235V92.4Very high89.8Confident0 Ų057.2 Ų57.20%031%0.307CS..Hα-helixtrans-70.3-18-1731760000112.3F222 L223 W231 N237 K238 A245 F255 W283F222-V235 HydrophobicContact CB-CG1 4.28Å; F222-V235 HydrophobicContact CB-CG2 4.04Å; F222-V235 HydrophobicContact CD1-CG1 3.68Å; F222-V235 HydrophobicContact CD1-CG2 4.33Å; F222-V235 HydrophobicContact CD2-CG1 4.32Å; F222-V235 HydrophobicContact CE1-CG1 4.09Å; F222-V235 HydrophobicContact CG-CG1 3.82Å; F222-V235 HydrophobicContact CG-CG2 4.39Å; L223-V235 HydrophobicContact CD1-CG2 4.36Å; W231-V235 HydrophobicContact CD2-CG2 4.4Å; W231-V235 HydrophobicContact CE3-CB 3.6Å; W231-V235 HydrophobicContact CE3-CG1 4.09Å; W231-V235 HydrophobicContact CE3-CG2 3.5Å; W231-V235 VanDerWaalsContact CE3-CG2 3.5Å; W231-V235 HydrophobicContact CZ3-CB 3.83Å; W231-V235 HydrophobicContact CZ3-CG1 3.85Å; W231-V235 HydrophobicContact CZ3-CG2 4.13Å; W231-V235 WeakPolarHBondContact O-CG2 3.46Å; W231-V235 PolarHBondContact O-N 3.49Å; V235-N237 PolarHBondContact O-N 2.73Å; V235-N237 VanDerWaalsContact O-N 3.12Å; V235-K238 HydrophobicContact CG1-CD 3.97Å; V235-K238 VanDerWaalsContact O-CB 3.23Å; V235-K238 WeakPolarHBondContact O-CB 3.28Å; V235-K238 WeakPolarHBondContact O-CG 3.31Å; V235-K238 PolarHBondContact O-N 3.15Å; V235-A245 HydrophobicContact CG2-CB 4.2Å; V235-F255 HydrophobicContact CG2-CE1 4.48Å; V235-W283 HydrophobicContact CB-CZ3 4.26Å; V235-W283 HydrophobicContact CG1-CE3 4.29Å; V235-W283 HydrophobicContact CG1-CZ3 4.11Å
236K92.1Very high90.3Very high120 Ų12054.8 Ų54.852%0.52230%0.296SS..THydrogen-bonded Turntrans-53-28.3167.1-176.6173.6177.7-178.20113.3A232 I234 K238 W283A232-K236 WeakPolarHBondContact O-CB 3.34Å; A232-K236 PolarHBondContact O-N 3.05Å; I234-K236 PolarHBondContact O-N 3.45Å; K236-K238 VanDerWaalsContact C-N 3.33Å; K236-W283 HydrophobicContact CB-CD2 4.42Å; K236-W283 HydrophobicContact CB-CH2 3.78Å; K236-W283 HydrophobicContact CB-CZ2 3.55Å; K236-W283 HydrophobicContact CB-CZ3 4.31Å; K236-W283 HydrophobicContact CD-CZ2 4.17Å; K236-W283 HydrophobicContact CG-CH2 4.46Å; K236-W283 HydrophobicContact CG-CZ2 3.73Å
237N91.8Very high90.6Very high129 Ų12954.9 Ų54.969%0.6930%0.299SS*.THydrogen-bonded Turntrans-89.96.9180-58.7-39.5000113.6I234 V235I234-N237 WeakPolarHBondContact O-CB 3.38Å; I234-N237 PolarHBondContact O-N 2.87Å; V235-N237 PolarHBondContact O-N 2.73Å; V235-N237 VanDerWaalsContact O-N 3.12Å
238K94.7Very high90.6Very high22 Ų2250.6 Ų50.610%0.09628%0.28CS..  trans-58.1146177.772-177.6-70.7-740111.6F222 V235 K236 D242 F255 L281 W283F222-K238 HydrophobicContact CE1-CD 4.3Å; F222-K238 HydrophobicContact CZ-CD 4.3Å; V235-K238 HydrophobicContact CG1-CD 3.97Å; V235-K238 VanDerWaalsContact O-CB 3.23Å; V235-K238 WeakPolarHBondContact O-CB 3.28Å; V235-K238 WeakPolarHBondContact O-CG 3.31Å; V235-K238 PolarHBondContact O-N 3.15Å; K236-K238 VanDerWaalsContact C-N 3.33Å; K238-D242 HydrophobicContact CB-CB 4.15Å; K238-D242 WeakPolarHBondContact CE-O 3.46Å; K238-D242 PolarHBondContact NZ-O 3.1Å; K238-F255 HydrophobicContact CB-CD1 3.84Å; K238-F255 HydrophobicContact CB-CE1 3.68Å; K238-L281 WeakPolarHBondContact CE-O 3.3Å; K238-L281 PolarHBondContact NZ-O 3.24Å; K238-W283 HydrophobicContact CD-CB 4.42Å
239G93.9Very high90.4Very high22 Ų2256.3 Ų56.323%0.22732%0.32CS..  trans-62.8163.6168.700000113K241 D242G239-K241 PolarHBondContact O-N 3.4Å; G239-D242 VanDerWaalsContact CA-OD2 3.29Å; G239-D242 WeakPolarHBondContact CA-OD2 3.42Å; G239-D242 PolarHBondContact N-OD2 2.71Å; G239-D242 PolarHBondContact O-N 3.01Å
240P91.9Very high90.5Very high110 Ų11057.2 Ų57.271%0.71432%0.321SS*.THydrogen-bonded Turntrans-66.2-23.6-17526.4-35000113.6
241K95.9Very high90.4Very high125 Ų12553.5 Ų53.554%0.54331%0.314SS..THydrogen-bonded Turntrans-1090.1179.4-66.7-169.8175.3-169.20113.7G239 I243 T257 Q278G239-K241 PolarHBondContact O-N 3.4Å; K241-I243 PolarHBondContact O-N 2.99Å; K241-T257 HydrophobicContact CB-CG2 3.72Å; K241-T257 WeakPolarHBondContact O-CG2 3.38Å; K241-Q278 HydrophobicContact CB-CG 4.18Å; K241-Q278 VanDerWaalsContact O-CG 3.32Å; K241-Q278 WeakPolarHBondContact O-CG 3.42Å
242D97.9Very high90.6Very high25 Ų2558.9 Ų58.913%0.13434%0.34CS..  trans-69.1129.8-178.7-64.8-14.1000109K238 G239 F255 S256K238-D242 HydrophobicContact CB-CB 4.15Å; K238-D242 WeakPolarHBondContact CE-O 3.46Å; K238-D242 PolarHBondContact NZ-O 3.1Å; G239-D242 VanDerWaalsContact CA-OD2 3.29Å; G239-D242 WeakPolarHBondContact CA-OD2 3.42Å; G239-D242 PolarHBondContact N-OD2 2.71Å; G239-D242 PolarHBondContact O-N 3.01Å; D242-F255 HydrophobicContact CB-CB 4.34Å; D242-F255 HydrophobicContact CB-CD1 4.46Å; D242-F255 VanDerWaalsContact OD2-CB 3.3Å; D242-F255 WeakPolarHBondContact OD2-CB 3.49Å; D242-S256 CarbonylContact C-O 3.55Å; D242-S256 WeakPolarHBondContact CA-O 3.36Å
243I97.8Very high90.9Very high0 Ų060.4 Ų60.40%035%0.348CS..  trans-113.1-10.3177.261.5173.6000111.7P221 K241 S256 T257 L259 E274 L277 Q278 L281P221-I243 WeakPolarHBondContact CB-O 3.38Å; K241-I243 PolarHBondContact O-N 2.99Å; I243-S256 PolarHBondContact N-O 2.82Å; I243-T257 WeakPolarHBondContact CD1-O 3.45Å; I243-L259 HydrophobicContact CD1-CD2 4.21Å; I243-L259 HydrophobicContact CD1-CG 4.26Å; I243-E274 HydrophobicContact CD1-CB 4.37Å; I243-E274 HydrophobicContact CD1-CG 3.94Å; I243-L277 HydrophobicContact CB-CB 4.43Å; I243-L277 HydrophobicContact CD1-CB 4.46Å; I243-L277 HydrophobicContact CD1-CD1 4.29Å; I243-L277 HydrophobicContact CG2-CB 3.91Å; I243-Q278 HydrophobicContact CG2-CB 4.27Å; I243-Q278 HydrophobicContact CG2-CG 3.58Å; I243-L281 HydrophobicContact CB-CD1 4.11Å
244M96.4Very high91.2Very high17 Ų1763.1 Ų63.18%0.08435%0.345CS..EExtended strand (participates in β ladder)trans-139.4145.3-177.4179.4175.862.800111.2F213 F219 P221 V246 F255 S256 A260F213-M244 HydrophobicContact CE2-CB 3.91Å; F213-M244 HydrophobicContact CE2-CG 4.38Å; F213-M244 HydrophobicContact CZ-CB 3.96Å; F213-M244 HydrophobicContact CZ-CG 3.92Å; F213-M244 HydrophobicContact CZ-SD 3.83Å; F219-M244 HydrophobicContact CE2-SD 4.22Å; F219-M244 HydrophobicContact CZ-SD 4.02Å; P221-M244 CarbonylContact O-C 3.32Å; P221-M244 VanDerWaalsContact O-CA 3.28Å; P221-M244 WeakPolarHBondContact O-CA 3.46Å; M244-V246 HydrophobicContact CE-CG2 4.43Å; M244-V246 HydrophobicContact CG-CG1 3.78Å; M244-V246 HydrophobicContact SD-CG1 3.71Å; M244-V246 HydrophobicContact SD-CG2 4.48Å; M244-F255 CarbonylContact O-C 3.55Å; M244-F255 WeakPolarHBondContact O-CA 3.3Å; M244-S256 PolarHBondContact N-O 3.43Å; M244-S256 VanDerWaalsContact N-O 3.14Å; M244-S256 PolarHBondContact O-N 2.99Å; M244-A260 HydrophobicContact CE-CB 4.37Å; M244-A260 HydrophobicContact SD-CB 3.8Å
245A96.1Very high91.4Very high0 Ų064 Ų640%035%0.347CS..EExtended strand (participates in β ladder)trans-135.3120164.200000109.4P221 F222 L223 V235 V253 K254 F255P221-A245 PolarHBondContact O-N 3.34Å; F222-A245 HydrophobicContact CD1-CB 3.94Å; L223-A245 HydrophobicContact CG-CB 4.4Å; L223-A245 PolarHBondContact N-O 2.8Å; V235-A245 HydrophobicContact CG2-CB 4.2Å; A245-V253 HydrophobicContact CB-CG1 4.3Å; A245-K254 WeakPolarHBondContact CA-O 3.47Å; A245-F255 HydrophobicContact CB-CD1 3.68Å; A245-F255 HydrophobicContact CB-CE1 3.69Å
246V92Very high91.7Very high38 Ų3865.4 Ų65.423%0.2336%0.357CS..EExtended strand (participates in β ladder)trans-127.9146.4-179.3-69.30000111F219 M244 K254F219-V246 HydrophobicContact CE2-CG1 3.99Å; F219-V246 HydrophobicContact CZ-CG1 4.42Å; M244-V246 HydrophobicContact CE-CG2 4.43Å; M244-V246 HydrophobicContact CG-CG1 3.78Å; M244-V246 HydrophobicContact SD-CG1 3.71Å; M244-V246 HydrophobicContact SD-CG2 4.48Å; V246-K254 PolarHBondContact N-O 2.99Å; V246-K254 PolarHBondContact O-N 3.18Å
247E89.4Confident91.9Very high78 Ų7861.7 Ų61.736%0.36435%0.345SS..EExtended strand (participates in β ladder)trans-84128.1170.5-173.9175.4-159.400108.9L223 W226 E252L223-E247 HydrophobicContact CD2-CB 4.29Å; W226-E247 PolarHBondContact NE1-OE2 2.99Å; E247-E252 WeakPolarHBondContact CA-O 3.16Å
248D82.8Confident92.2Very high29 Ų2960.7 Ų60.716%0.15534%0.335CS..  trans-84.1-177.9176.277.26.5000112.5N250 G251 E252 K254D248-N250 PolarHBondContact O-N 3.36Å; D248-N250 WeakPolarHBondContact OD1-CA 3.4Å; D248-N250 WeakPolarHBondContact OD1-CB 3.45Å; D248-N250 PolarHBondContact OD1-N 3.2Å; D248-G251 PolarHBondContact O-N 3.2Å; D248-G251 VanDerWaalsContact O-N 3.11Å; D248-G251 PolarHBondContact OD1-N 3.26Å; D248-E252 PolarHBondContact N-O 2.83Å; D248-E252 PolarHBondContact OD1-N 3.28Å; D248-K254 HydrophobicContact CB-CD 4.24Å; D248-K254 WeakPolarHBondContact OD2-CE 3.33Å; D248-K254 IonicContact OD2-NZ 3.98Å; D248-K254 PolarHBondContact OD2-NZ 3.43Å
249S76.8Confident92.2Very high121 Ų12160.1 Ų60.185%0.84633%0.333SS*.THydrogen-bonded Turntrans-63.7-18.2-179.652.70000114.1
250N81.3Confident92.1Very high129 Ų12959.7 Ų59.769%0.6933%0.328SS*.THydrogen-bonded Turntrans-94.5-0.2179.8-58.1-18.3000111.8D248 E252D248-N250 PolarHBondContact O-N 3.36Å; D248-N250 WeakPolarHBondContact OD1-CA 3.4Å; D248-N250 WeakPolarHBondContact OD1-CB 3.45Å; D248-N250 PolarHBondContact OD1-N 3.2Å; N250-E252 VanDerWaalsContact C-N 3.32Å
251G83.3Confident92.1Very high39 Ų3961 Ų6140%0.40232%0.324SS..SBendtrans81.29.5-174.800000113.7D248D248-G251 PolarHBondContact O-N 3.2Å; D248-G251 VanDerWaalsContact O-N 3.11Å; D248-G251 PolarHBondContact OD1-N 3.26Å
252E89.8Confident91.8Very high120 Ų12056.3 Ų56.356%0.56131%0.307SS*.  trans-86.2137178.6-65.6-169.8156.700111.1E247 D248 N250 K254E247-E252 WeakPolarHBondContact CA-O 3.16Å; D248-E252 PolarHBondContact N-O 2.83Å; D248-E252 PolarHBondContact OD1-N 3.28Å; N250-E252 VanDerWaalsContact C-N 3.32Å; E252-K254 PolarHBondContact O-N 3.19Å
253V93.6Very high91.5Very high43 Ų4355.9 Ų55.926%0.26131%0.305SS..EExtended strand (participates in β ladder)trans-83.5118.2177.1178.70000110L223 I234 A245 F255L223-V253 HydrophobicContact CD1-CG1 4.3Å; L223-V253 HydrophobicContact CD1-CG2 4.18Å; L223-V253 HydrophobicContact CD2-CG1 4.06Å; L223-V253 HydrophobicContact CD2-CG2 3.99Å; I234-V253 HydrophobicContact CD1-CG2 4.42Å; I234-V253 HydrophobicContact CG2-CB 4.41Å; I234-V253 HydrophobicContact CG2-CG1 4.02Å; I234-V253 HydrophobicContact CG2-CG2 4.38Å; A245-V253 HydrophobicContact CB-CG1 4.3Å; V253-F255 HydrophobicContact CG1-CE2 4.17Å; V253-F255 HydrophobicContact CG1-CZ 4.29Å
254K94.1Very high91.2Very high108 Ų10857.4 Ų57.447%0.4731%0.313SS..EExtended strand (participates in β ladder)trans-107.9125175.9-72.9177.6172155.60110.8A245 V246 D248 E252A245-K254 WeakPolarHBondContact CA-O 3.47Å; V246-K254 PolarHBondContact N-O 2.99Å; V246-K254 PolarHBondContact O-N 3.18Å; D248-K254 HydrophobicContact CB-CD 4.24Å; D248-K254 WeakPolarHBondContact OD2-CE 3.33Å; D248-K254 IonicContact OD2-NZ 3.98Å; D248-K254 PolarHBondContact OD2-NZ 3.43Å; E252-K254 PolarHBondContact O-N 3.19Å
255F96.4Very high91.1Very high69 Ų6957.5 Ų57.530%0.30331%0.313SS..EExtended strand (participates in β ladder)trans-88.8147.5170.8-64.5-86.4000110.6I234 V235 K238 D242 M244 A245 V253I234-F255 HydrophobicContact CG2-CZ 4.13Å; V235-F255 HydrophobicContact CG2-CE1 4.48Å; K238-F255 HydrophobicContact CB-CD1 3.84Å; K238-F255 HydrophobicContact CB-CE1 3.68Å; D242-F255 HydrophobicContact CB-CB 4.34Å; D242-F255 HydrophobicContact CB-CD1 4.46Å; D242-F255 VanDerWaalsContact OD2-CB 3.3Å; D242-F255 WeakPolarHBondContact OD2-CB 3.49Å; M244-F255 CarbonylContact O-C 3.55Å; M244-F255 WeakPolarHBondContact O-CA 3.3Å; A245-F255 HydrophobicContact CB-CD1 3.68Å; A245-F255 HydrophobicContact CB-CE1 3.69Å; V253-F255 HydrophobicContact CG1-CE2 4.17Å; V253-F255 HydrophobicContact CG1-CZ 4.29Å
256S96.9Very high90.8Very high30 Ų3057.9 Ų57.921%0.2132%0.316CS..EExtended strand (participates in β ladder)trans-143.3143.5178.7175.80000111.3D242 I243 M244 H258D242-S256 CarbonylContact C-O 3.55Å; D242-S256 WeakPolarHBondContact CA-O 3.36Å; I243-S256 PolarHBondContact N-O 2.82Å; M244-S256 PolarHBondContact N-O 3.43Å; M244-S256 VanDerWaalsContact N-O 3.14Å; M244-S256 PolarHBondContact O-N 2.99Å; S256-H258 VanDerWaalsContact C-N 3.32Å; S256-H258 PolarHBondContact OG-N 2.93Å; S256-H258 PolarHBondContact OG-O 3.01Å
257T97.4Very high90.7Very high42 Ų4262.2 Ų62.226%0.25833%0.328SS..SBendtrans-86.9-6171.157.40000112.8K241 I243K241-T257 HydrophobicContact CB-CG2 3.72Å; K241-T257 WeakPolarHBondContact O-CG2 3.38Å; I243-T257 WeakPolarHBondContact CD1-O 3.45Å
258H96.9Very high90.8Very high107 Ų10759.7 Ų59.750%0.49532%0.318SS..SBendtrans-113.2149.7-173.3-59.4-64000113S256 E274S256-H258 VanDerWaalsContact C-N 3.32Å; S256-H258 PolarHBondContact OG-N 2.93Å; S256-H258 PolarHBondContact OG-O 3.01Å; H258-E274 WeakPolarHBondContact CA-OE1 3.39Å; H258-E274 WeakPolarHBondContact CB-OE1 3.24Å; H258-E274 IonicContact CE1-OE2 3.56Å; H258-E274 IonicContact CG-OE1 3.55Å; H258-E274 IonicContact ND1-OE1 3.47Å; H258-E274 IonicContact ND1-OE2 3.54Å; H258-E274 PolarHBondContact ND1-OE2 3.28Å
259L95.9Very high91.2Very high10 Ų1058.8 Ų58.85%0.05231%0.314CS..  trans-62.4144173.5-75.3172.7000110.7F213 C216 I243 L265 V270 L273 E274 L277F213-L259 HydrophobicContact CD2-CD2 3.79Å; F213-L259 HydrophobicContact CE2-CD2 3.9Å; C216-L259 HydrophobicContact CB-CD2 4.32Å; I243-L259 HydrophobicContact CD1-CD2 4.21Å; I243-L259 HydrophobicContact CD1-CG 4.26Å; L259-L265 HydrophobicContact CD1-CD1 3.87Å; L259-V270 HydrophobicContact CD1-CG1 4.46Å; L259-L273 HydrophobicContact CD1-CD2 4.32Å; L259-E274 HydrophobicContact CD1-CG 4.16Å; L259-E274 HydrophobicContact CG-CG 3.85Å; L259-E274 PolarHBondContact N-OE1 3Å; L259-L277 HydrophobicContact CD2-CD1 3.71Å; L259-L277 HydrophobicContact CG-CD1 4.49Å
260A92.5Very high92.1Very high14 Ų1454.2 Ų54.212%0.11628%0.28CS..  trans-68.5145.7177.200000111.3C217 F219 M244 N263C217-A260 HydrophobicContact CB-CB 4.32Å; F219-A260 HydrophobicContact CE1-CB 3.75Å; F219-A260 HydrophobicContact CZ-CB 3.49Å; F219-A260 VanDerWaalsContact CZ-CB 3.49Å; M244-A260 HydrophobicContact CE-CB 4.37Å; M244-A260 HydrophobicContact SD-CB 3.8Å; A260-N263 PolarHBondContact O-ND2 3.03Å
261Q90Very high92.8Very high136 Ų13654.4 Ų54.464%0.63628%0.277SS*.SBendtrans-104.6147.7169.4-67.3-66-17.800109.8N263Q261-N263 PolarHBondContact NE2-ND2 3.02Å
262P89.9Confident93.4Very high28 Ų2854.1 Ų54.118%0.18227%0.268CS..SBendcis-73.5146.9-4.331.1-34.1000112.6C115 E431C115-P262 HydrophobicContact CB-CG 4.06Å; P262-E431 HydrophobicContact CG-CG 4.41Å
263N91.8Very high93.7Very high16 Ų1648.4 Ų48.49%0.08624%0.241CC..  trans-135.9169.8162.663.970.3000110.1C216 A260 Q261 L265C216-N263 VanDerWaalsContact O-CB 3.31Å; C216-N263 WeakPolarHBondContact O-CB 3.39Å; A260-N263 PolarHBondContact O-ND2 3.03Å; Q261-N263 PolarHBondContact NE2-ND2 3.02Å; N263-L265 PolarHBondContact OD1-N 3.16Å
264N92.2Very high93.9Very high32 Ų3247 Ų4717%0.17123%0.232CC..  trans-103.117.9-173.3-62.1-45.2000113.9G116 L117 W381G116-N264 PolarHBondContact O-ND2 3.47Å; G116-N264 VanDerWaalsContact O-ND2 3.13Å; L117-N264 WeakPolarHBondContact O-CB 3.45Å; L117-N264 PolarHBondContact O-ND2 3.2Å; N264-W381 PolarHBondContact O-NE1 3.18Å
265L93.3Very high94.1Very high18 Ų1844.4 Ų44.49%0.09422%0.223CC..  trans-91.3146.4-177.7-51.8-179.1000111.5E119 V122 C216 L259 N263 L269 V270 L273E119-L265 HydrophobicContact CB-CD2 4.3Å; E119-L265 HydrophobicContact CG-CD2 4.34Å; V122-L265 HydrophobicContact CB-CD2 4.23Å; V122-L265 HydrophobicContact CG1-CD2 4.28Å; V122-L265 HydrophobicContact CG2-CD2 4.14Å; C216-L265 HydrophobicContact CB-CD1 4.22Å; L259-L265 HydrophobicContact CD1-CD1 3.87Å; N263-L265 PolarHBondContact OD1-N 3.16Å; L265-L269 HydrophobicContact CD2-CD2 4.06Å; L265-V270 HydrophobicContact CB-CG2 3.96Å; L265-L273 HydrophobicContact CD1-CD2 3.58Å
266S91.4Very high94.2Very high9 Ų941.2 Ų41.26%0.06321%0.209CC..  trans-68.7149.2171.663.80000111.1E119 T268 L269 V270E119-S266 WeakPolarHBondContact OE2-CA 3.35Å; E119-S266 WeakPolarHBondContact OE2-CB 3.4Å; E119-S266 PolarHBondContact OE2-N 3.48Å; E119-S266 PolarHBondContact OE2-OG 3.13Å; S266-T268 PolarHBondContact O-N 3.32Å; S266-T268 PolarHBondContact OG-OG1 2.74Å; S266-T268 VanDerWaalsContact OG-OG1 3.09Å; S266-L269 PolarHBondContact O-N 3.2Å; S266-V270 WeakPolarHBondContact O-CG2 3.49Å; S266-V270 PolarHBondContact O-N 3.29Å
267R88.8Confident94.2Very high128 Ų12839.8 Ų39.848%0.48320%0.199SC..Hα-helixtrans-52.4-31.6177.969.1-179.1-175.5-179.72.2113.3L269 S326 E345R267-L269 VanDerWaalsContact C-N 3.34Å; R267-S326 PolarHBondContact NE-O 2.98Å; R267-S326 PolarHBondContact NH2-O 3.15Å; R267-E345 IonicContact CZ-OE1 3.71Å; R267-E345 IonicContact CZ-OE2 2.88Å; R267-E345 IonicContact NH1-OE1 2.59Å; R267-E345 IonicContact NH1-OE2 3.38Å; R267-E345 PolarHBondContact NH1-OE2 3Å; R267-E345 VanDerWaalsContact NH2-CD 3.3Å; R267-E345 IonicContact NH2-OE1 3.09Å; R267-E345 PolarHBondContact NH2-OE1 3.39Å; R267-E345 IonicContact NH2-OE2 3.35Å; R267-E345 PolarHBondContact NH2-OE2 2.71Å
268T91.4Very high94.3Very high25 Ų2538.8 Ų38.815%0.15319%0.192CC..Hα-helixtrans-74.4-24.2-178.938.30000113.2S266 P272 V313S266-T268 PolarHBondContact O-N 3.32Å; S266-T268 PolarHBondContact OG-OG1 2.74Å; S266-T268 VanDerWaalsContact OG-OG1 3.09Å; T268-P272 WeakPolarHBondContact O-CD 3.5Å; T268-P272 WeakPolarHBondContact O-CG 3.18Å; T268-V313 HydrophobicContact CG2-CG1 4.46Å
269L92.2Very high94.3Very high11 Ų1134.9 Ų34.96%0.05817%0.174CC..Hα-helixtrans-94.1-29.8-178.1-175.960.4000112.8E119 L123 L265 S266 R267 E271 P272 L273 L308E119-L269 HydrophobicContact CG-CD2 3.6Å; E119-L269 WeakPolarHBondContact OE2-CD2 3.43Å; L123-L269 HydrophobicContact CD2-CD1 4.02Å; L123-L269 HydrophobicContact CD2-CD2 3.93Å; L123-L269 HydrophobicContact CG-CD2 4.22Å; L265-L269 HydrophobicContact CD2-CD2 4.06Å; S266-L269 PolarHBondContact O-N 3.2Å; R267-L269 VanDerWaalsContact C-N 3.34Å; L269-E271 PolarHBondContact O-N 3.4Å; L269-P272 WeakPolarHBondContact O-CD 3.49Å; L269-L273 VanDerWaalsContact O-CB 3.25Å; L269-L273 WeakPolarHBondContact O-CB 3.47Å; L269-L273 PolarHBondContact O-N 3.18Å; L269-L308 HydrophobicContact CD1-CD1 3.9Å; L269-L308 HydrophobicContact CD1-CD2 3.58Å; L269-L308 HydrophobicContact CD1-CG 3.67Å
270V95.1Very high94.4Very high24 Ų2434.4 Ų34.415%0.14517%0.172CC..Hα-helixtrans-55-56.3-175.7170.60000112.1L259 L265 S266 L273 E274L259-V270 HydrophobicContact CD1-CG1 4.46Å; L265-V270 HydrophobicContact CB-CG2 3.96Å; S266-V270 WeakPolarHBondContact O-CG2 3.49Å; S266-V270 PolarHBondContact O-N 3.29Å; V270-L273 PolarHBondContact O-N 3.04Å; V270-E274 HydrophobicContact CG1-CG 4.31Å; V270-E274 WeakPolarHBondContact CG1-OE1 3.49Å; V270-E274 WeakPolarHBondContact O-CB 3.32Å; V270-E274 VanDerWaalsContact O-CG 3.3Å; V270-E274 WeakPolarHBondContact O-CG 3.48Å; V270-E274 PolarHBondContact O-N 3.37Å
271E95.3Very high94.6Very high133 Ų13333.7 Ų33.762%0.62117%0.166SC*.Hα-helixtrans-64.2-48.7-176173.7-175.7-169.500112.9L269 L273 E274 N275L269-E271 PolarHBondContact O-N 3.4Å; E271-L273 VanDerWaalsContact C-N 3.27Å; E271-L273 PolarHBondContact O-N 3.06Å; E271-E274 PolarHBondContact O-N 3.49Å; E271-N275 VanDerWaalsContact O-CG 3.29Å; E271-N275 PolarHBondContact O-N 3.46Å; E271-N275 PolarHBondContact O-ND2 3.24Å; E271-N275 VanDerWaalsContact O-ND2 3.15Å
272P96.1Very high94.9Very high33 Ų3329.5 Ų29.521%0.21415%0.146CC..Hα-helixtrans-54.4-42.6173.2-28.735.8000113.2T268 L269 N275 V276 L308 M311T268-P272 WeakPolarHBondContact O-CD 3.5Å; T268-P272 WeakPolarHBondContact O-CG 3.18Å; L269-P272 WeakPolarHBondContact O-CD 3.49Å; P272-N275 WeakPolarHBondContact O-CB 3.33Å; P272-N275 PolarHBondContact O-N 3.3Å; P272-V276 WeakPolarHBondContact O-CG2 3.44Å; P272-V276 PolarHBondContact O-N 2.89Å; P272-V276 VanDerWaalsContact O-N 3.11Å; P272-L308 HydrophobicContact CB-CB 4.44Å; P272-L308 HydrophobicContact CB-CD1 3.88Å; P272-L308 HydrophobicContact CB-CG 4.18Å; P272-M311 HydrophobicContact CB-SD 4.36Å; P272-M311 HydrophobicContact CG-CE 4.38Å; P272-M311 HydrophobicContact CG-SD 3.98Å
273L97.2Very high95.1Very high0 Ų030.7 Ų30.70%015%0.147CC..Hα-helixtrans-69.9-40.7-179.2-173.458.1000112.4V122 L126 V212 C216 L259 L265 L269 V270 E271 N275 V276 L277 L308V122-L273 HydrophobicContact CG1-CD2 4.4Å; L126-L273 HydrophobicContact CD1-CD1 3.83Å; L126-L273 HydrophobicContact CD2-CD1 4.29Å; V212-L273 HydrophobicContact CG1-CD1 3.97Å; C216-L273 VanDerWaalsContact SG-CD2 3.51Å; L259-L273 HydrophobicContact CD1-CD2 4.32Å; L265-L273 HydrophobicContact CD1-CD2 3.58Å; L269-L273 VanDerWaalsContact O-CB 3.25Å; L269-L273 WeakPolarHBondContact O-CB 3.47Å; L269-L273 PolarHBondContact O-N 3.18Å; V270-L273 PolarHBondContact O-N 3.04Å; E271-L273 VanDerWaalsContact C-N 3.27Å; E271-L273 PolarHBondContact O-N 3.06Å; L273-N275 VanDerWaalsContact C-N 3.25Å; L273-N275 PolarHBondContact O-N 3.01Å; L273-V276 PolarHBondContact O-N 3.48Å; L273-L277 HydrophobicContact CG-CD1 4.3Å; L273-L277 WeakPolarHBondContact O-CB 3.43Å; L273-L277 WeakPolarHBondContact O-CG 3.47Å; L273-L277 PolarHBondContact O-N 3.24Å; L273-L308 HydrophobicContact CB-CD1 3.98Å; L273-L308 HydrophobicContact CD1-CD1 4.1Å
274E98Very high95.1Very high14 Ų1433.1 Ų33.17%0.06516%0.16CC..Hα-helixtrans-55.4-43.8171.7-76.6177.3174.300110.7I243 H258 L259 V270 E271 V276 L277 Q278I243-E274 HydrophobicContact CD1-CB 4.37Å; I243-E274 HydrophobicContact CD1-CG 3.94Å; H258-E274 WeakPolarHBondContact CA-OE1 3.39Å; H258-E274 WeakPolarHBondContact CB-OE1 3.24Å; H258-E274 IonicContact CE1-OE2 3.56Å; H258-E274 IonicContact CG-OE1 3.55Å; H258-E274 IonicContact ND1-OE1 3.47Å; H258-E274 IonicContact ND1-OE2 3.54Å; H258-E274 PolarHBondContact ND1-OE2 3.28Å; L259-E274 HydrophobicContact CD1-CG 4.16Å; L259-E274 HydrophobicContact CG-CG 3.85Å; L259-E274 PolarHBondContact N-OE1 3Å; V270-E274 HydrophobicContact CG1-CG 4.31Å; V270-E274 WeakPolarHBondContact CG1-OE1 3.49Å; V270-E274 WeakPolarHBondContact O-CB 3.32Å; V270-E274 VanDerWaalsContact O-CG 3.3Å; V270-E274 WeakPolarHBondContact O-CG 3.48Å; V270-E274 PolarHBondContact O-N 3.37Å; E271-E274 PolarHBondContact O-N 3.49Å; E274-V276 PolarHBondContact O-N 2.97Å; E274-L277 PolarHBondContact O-N 3.33Å; E274-Q278 WeakPolarHBondContact O-CB 3.44Å; E274-Q278 WeakPolarHBondContact O-CG 3.35Å; E274-Q278 PolarHBondContact O-N 3.32Å
275N97.6Very high95.1Very high53 Ų5333.3 Ų33.328%0.28316%0.16SC..Hα-helixtrans-64.6-38.8178.5-68.1-35.7000112.9E271 P272 L273 Q278 L279 M304E271-N275 VanDerWaalsContact O-CG 3.29Å; E271-N275 PolarHBondContact O-N 3.46Å; E271-N275 PolarHBondContact O-ND2 3.24Å; E271-N275 VanDerWaalsContact O-ND2 3.15Å; P272-N275 WeakPolarHBondContact O-CB 3.33Å; P272-N275 PolarHBondContact O-N 3.3Å; L273-N275 VanDerWaalsContact C-N 3.25Å; L273-N275 PolarHBondContact O-N 3.01Å; N275-Q278 PolarHBondContact O-N 3.28Å; N275-L279 PolarHBondContact O-N 3.25Å; N275-M304 HydrophobicContact CB-CE 3.6Å
276V97.8Very high95Very high2 Ų240.5 Ų40.51%0.01219%0.193CC..Hα-helixtrans-64.4-46.7173.2174.50000110.6P272 L273 E274 Q278 L279 M280 M304 L308P272-V276 WeakPolarHBondContact O-CG2 3.44Å; P272-V276 PolarHBondContact O-N 2.89Å; P272-V276 VanDerWaalsContact O-N 3.11Å; L273-V276 PolarHBondContact O-N 3.48Å; E274-V276 PolarHBondContact O-N 2.97Å; V276-Q278 VanDerWaalsContact C-N 3.3Å; V276-Q278 PolarHBondContact O-N 3.04Å; V276-L279 PolarHBondContact O-N 3.36Å; V276-L279 VanDerWaalsContact O-N 3.08Å; V276-M280 HydrophobicContact CG1-CE 3.62Å; V276-M280 HydrophobicContact CG1-CG 4.46Å; V276-M280 HydrophobicContact CG1-SD 3.97Å; V276-M280 PolarHBondContact O-N 2.95Å; V276-M280 VanDerWaalsContact O-N 3.09Å; V276-M304 HydrophobicContact CG2-CB 3.81Å; V276-L308 HydrophobicContact CG2-CD1 4.38Å
277L98.4Very high95.1Very high0 Ų045.4 Ų45.40%022%0.215CC..Hα-helixtrans-61.3-37.4177.9-73.3172.9000112.2G209 V212 F213 I243 L259 L273 E274 L279 M280 L281G209-L277 VanDerWaalsContact O-CD2 3.28Å; G209-L277 WeakPolarHBondContact O-CD2 3.13Å; V212-L277 HydrophobicContact CB-CD2 4.05Å; V212-L277 HydrophobicContact CG1-CD2 3.85Å; V212-L277 HydrophobicContact CG1-CG 4.46Å; F213-L277 HydrophobicContact CB-CD2 4.39Å; F213-L277 HydrophobicContact CD2-CD1 4.36Å; I243-L277 HydrophobicContact CB-CB 4.43Å; I243-L277 HydrophobicContact CD1-CB 4.46Å; I243-L277 HydrophobicContact CD1-CD1 4.29Å; I243-L277 HydrophobicContact CG2-CB 3.91Å; L259-L277 HydrophobicContact CD2-CD1 3.71Å; L259-L277 HydrophobicContact CG-CD1 4.49Å; L273-L277 HydrophobicContact CG-CD1 4.3Å; L273-L277 WeakPolarHBondContact O-CB 3.43Å; L273-L277 WeakPolarHBondContact O-CG 3.47Å; L273-L277 PolarHBondContact O-N 3.24Å; E274-L277 PolarHBondContact O-N 3.33Å; L277-L279 PolarHBondContact O-N 3.5Å; L277-M280 PolarHBondContact O-N 3.15Å; L277-L281 HydrophobicContact CB-CD1 4.45Å; L277-L281 HydrophobicContact CD2-CD1 4.32Å; L277-L281 VanDerWaalsContact O-CB 3.29Å; L277-L281 WeakPolarHBondContact O-CB 3.29Å; L277-L281 WeakPolarHBondContact O-CG 3.06Å; L277-L281 PolarHBondContact O-N 3.09Å
278Q98.1Very high95.4Very high22 Ų2239.7 Ų39.710%0.10319%0.193CC..Hα-helixtrans-59.3-31.2175-76.517226.400112.8K241 I243 E274 N275 V276 K282K241-Q278 HydrophobicContact CB-CG 4.18Å; K241-Q278 VanDerWaalsContact O-CG 3.32Å; K241-Q278 WeakPolarHBondContact O-CG 3.42Å; I243-Q278 HydrophobicContact CG2-CB 4.27Å; I243-Q278 HydrophobicContact CG2-CG 3.58Å; E274-Q278 WeakPolarHBondContact O-CB 3.44Å; E274-Q278 WeakPolarHBondContact O-CG 3.35Å; E274-Q278 PolarHBondContact O-N 3.32Å; N275-Q278 PolarHBondContact O-N 3.28Å; V276-Q278 VanDerWaalsContact C-N 3.3Å; V276-Q278 PolarHBondContact O-N 3.04Å; Q278-K282 WeakPolarHBondContact O-CG 3.43Å
279L97.4Very high95.5Very high24 Ų2438.5 Ų38.513%0.12619%0.186CC..Hα-helixtrans-81.1-39.3174.3-68.1-177.4000112.6N275 V276 L277 R288 G289 M300 C301 M304N275-L279 PolarHBondContact O-N 3.25Å; V276-L279 PolarHBondContact O-N 3.36Å; V276-L279 VanDerWaalsContact O-N 3.08Å; L277-L279 PolarHBondContact O-N 3.5Å; L279-R288 WeakPolarHBondContact O-CG 3.4Å; L279-G289 PolarHBondContact O-N 3.11Å; L279-M300 HydrophobicContact CD1-CB 4.19Å; L279-M300 HydrophobicContact CD1-CG 3.93Å; L279-C301 HydrophobicContact CB-CB 4.03Å; L279-C301 HydrophobicContact CD1-CB 4.18Å; L279-M304 HydrophobicContact CD1-SD 3.49Å; L279-M304 WeakPolarHBondContact CD1-SD 3.26Å
280M97.8Very high95.6Very high0 Ų038.7 Ų38.70%019%0.19CC..Hα-helixtrans-73.7-32.8-178-70.2-175.5178.400112.9W206 F208 V276 L277 R288 C301W206-M280 WeakPolarHBondContact CA-O 3.44Å; F208-M280 HydrophobicContact CD1-CE 3.61Å; F208-M280 HydrophobicContact CD1-SD 3.72Å; F208-M280 HydrophobicContact CE1-CE 3.72Å; F208-M280 HydrophobicContact CE1-SD 4.2Å; F208-M280 HydrophobicContact CG-SD 4.49Å; V276-M280 HydrophobicContact CG1-CE 3.62Å; V276-M280 HydrophobicContact CG1-CG 4.46Å; V276-M280 HydrophobicContact CG1-SD 3.97Å; V276-M280 PolarHBondContact O-N 2.95Å; V276-M280 VanDerWaalsContact O-N 3.09Å; L277-M280 PolarHBondContact O-N 3.15Å; M280-R288 VanDerWaalsContact O-CD 3.26Å; M280-R288 WeakPolarHBondContact O-CD 3.27Å; M280-R288 VanDerWaalsContact O-CG 3.28Å; M280-R288 WeakPolarHBondContact O-CG 3.32Å; M280-C301 HydrophobicContact CE-CB 4.16Å; M280-C301 HydrophobicContact CG-CB 4.22Å
281L97.3Very high95.5Very high0 Ų041.9 Ų41.90%021%0.211CC..THydrogen-bonded Turntrans-99.725.3-176.6-60.4179.7000113.5W206 P221 F222 K238 I243 L277W206-L281 HydrophobicContact CD2-CD2 4.46Å; W206-L281 HydrophobicContact CE3-CD2 4.46Å; W206-L281 WeakPolarHBondContact CZ3-O 3.25Å; P221-L281 HydrophobicContact CB-CD1 4.2Å; P221-L281 HydrophobicContact CG-CD1 4.33Å; F222-L281 HydrophobicContact CE2-CB 4.35Å; F222-L281 HydrophobicContact CE2-CD1 4.39Å; F222-L281 HydrophobicContact CE2-CD2 4.19Å; F222-L281 HydrophobicContact CZ-CB 4.12Å; F222-L281 HydrophobicContact CZ-CD1 4.28Å; K238-L281 WeakPolarHBondContact CE-O 3.3Å; K238-L281 PolarHBondContact NZ-O 3.24Å; I243-L281 HydrophobicContact CB-CD1 4.11Å; L277-L281 HydrophobicContact CB-CD1 4.45Å; L277-L281 HydrophobicContact CD2-CD1 4.32Å; L277-L281 VanDerWaalsContact O-CB 3.29Å; L277-L281 WeakPolarHBondContact O-CB 3.29Å; L277-L281 WeakPolarHBondContact O-CG 3.06Å; L277-L281 PolarHBondContact O-N 3.09Å
282K96.1Very high95.2Very high48 Ų4840 Ų4021%0.20921%0.209CC..  trans-70.5135.5169.8-69.4-169.4174.6177.90110.8Q278 Q287 R288Q278-K282 WeakPolarHBondContact O-CG 3.43Å; K282-Q287 HydrophobicContact CD-CB 4.03Å; K282-Q287 WeakPolarHBondContact CD-O 3.42Å; K282-R288 HydrophobicContact CB-CB 4.18Å; K282-R288 HydrophobicContact CB-CG 4.35Å; K282-R288 PolarHBondContact O-NE 3.47Å; K282-R288 PolarHBondContact O-NH2 3.12Å
283W94Very high94.9Very high53 Ų5342.1 Ų42.120%0.20122%0.216CC..SBendtrans-64.1-47.4176.6-175.2-89000111.6P191 W206 W231 A232 V235 K236 K238 Q285 R288P191-W283 HydrophobicContact CB-CD2 3.73Å; P191-W283 HydrophobicContact CB-CE3 3.81Å; P191-W283 HydrophobicContact CB-CG 4.46Å; P191-W283 HydrophobicContact CB-CH2 3.73Å; P191-W283 HydrophobicContact CB-CZ2 3.64Å; P191-W283 HydrophobicContact CB-CZ3 3.81Å; P191-W283 HydrophobicContact CG-CD2 3.77Å; P191-W283 HydrophobicContact CG-CE3 3.46Å; P191-W283 VanDerWaalsContact CG-CE3 3.46Å; P191-W283 HydrophobicContact CG-CG 4.45Å; P191-W283 HydrophobicContact CG-CH2 4.12Å; P191-W283 HydrophobicContact CG-CZ2 4.37Å; P191-W283 HydrophobicContact CG-CZ3 3.66Å; W206-W283 HydrophobicContact CH2-CE3 4.44Å; W231-W283 HydrophobicContact CZ3-CZ3 4.38Å; A232-W283 HydrophobicContact CB-CH2 4.24Å; A232-W283 VanDerWaalsContact O-CH2 3.3Å; A232-W283 WeakPolarHBondContact O-CH2 2.99Å; V235-W283 HydrophobicContact CB-CZ3 4.26Å; V235-W283 HydrophobicContact CG1-CE3 4.29Å; V235-W283 HydrophobicContact CG1-CZ3 4.11Å; K236-W283 HydrophobicContact CB-CD2 4.42Å; K236-W283 HydrophobicContact CB-CH2 3.78Å; K236-W283 HydrophobicContact CB-CZ2 3.55Å; K236-W283 HydrophobicContact CB-CZ3 4.31Å; K236-W283 HydrophobicContact CD-CZ2 4.17Å; K236-W283 HydrophobicContact CG-CH2 4.46Å; K236-W283 HydrophobicContact CG-CZ2 3.73Å; K238-W283 HydrophobicContact CD-CB 4.42Å; W283-Q285 PolarHBondContact O-N 3.44Å; W283-R288 PolarHBondContact O-NH2 2.84Å; W283-R288 VanDerWaalsContact O-NH2 3.11Å
284N92.6Very high94.3Very high66 Ų6653.6 Ų53.635%0.35326%0.259SS..SBendtrans-71.7119179.3-175.2-24.8000111.2E286 Q287 R288N284-E286 VanDerWaalsContact C-N 3.33Å; N284-E286 PolarHBondContact O-N 3.21Å; N284-E286 PolarHBondContact OD1-N 3.17Å; N284-Q287 HydrophobicContact CB-CB 4.44Å; N284-Q287 HydrophobicContact CB-CG 4.45Å; N284-Q287 PolarHBondContact O-N 2.83Å; N284-R288 WeakPolarHBondContact O-CB 3.44Å; N284-R288 PolarHBondContact O-N 3.39Å; N284-R288 VanDerWaalsContact O-N 3.14Å
285Q92.2Very high93.7Very high37 Ų3757.9 Ų57.917%0.17330%0.297CS..THydrogen-bonded Turntrans-60.9-33.1-17967169.5-42.100114.5E192 P198 A202 W283 Q287 R288E192-Q285 HydrophobicContact CG-CB 4.39Å; P198-Q285 PolarHBondContact O-NE2 3.49Å; P198-Q285 PolarHBondContact O-OE1 2.97Å; A202-Q285 HydrophobicContact CB-CB 4.47Å; A202-Q285 WeakPolarHBondContact CB-O 2.99Å; W283-Q285 PolarHBondContact O-N 3.44Å; Q285-Q287 VanDerWaalsContact C-N 3.33Å; Q285-R288 PolarHBondContact O-N 3.16Å
286E90.8Very high93.1Very high169 Ų16957.6 Ų57.679%0.7930%0.299SS*.THydrogen-bonded Turntrans-74.6-27.8-176.8-64178.317700112N284N284-E286 VanDerWaalsContact C-N 3.33Å; N284-E286 PolarHBondContact O-N 3.21Å; N284-E286 PolarHBondContact OD1-N 3.17Å
287Q93.3Very high92.5Very high112 Ų11265.7 Ų65.752%0.52333%0.334SS..THydrogen-bonded Turntrans-93.1-14.9179-62-177.6-8.400112.5K282 N284 Q285 G290K282-Q287 HydrophobicContact CD-CB 4.03Å; K282-Q287 WeakPolarHBondContact CD-O 3.42Å; N284-Q287 HydrophobicContact CB-CB 4.44Å; N284-Q287 HydrophobicContact CB-CG 4.45Å; N284-Q287 PolarHBondContact O-N 2.83Å; Q285-Q287 VanDerWaalsContact C-N 3.33Å; Q287-G290 PolarHBondContact O-N 3Å; Q287-G290 VanDerWaalsContact O-N 3.15Å
288R95.4Very high92.1Very high8 Ų867.9 Ų67.93%0.0334%0.342CS..THydrogen-bonded Turntrans-70.1135.3-177.1-167-171-62.1145.27.2110.1E192 A202 F205 L279 M280 K282 W283 N284 Q285 G290E192-R288 IonicContact OE1-CZ 3.63Å; E192-R288 IonicContact OE1-NH1 3.15Å; E192-R288 PolarHBondContact OE1-NH1 3.42Å; E192-R288 IonicContact OE1-NH2 2.68Å; E192-R288 IonicContact OE2-CZ 3.49Å; E192-R288 IonicContact OE2-NH1 3.53Å; E192-R288 PolarHBondContact OE2-NH1 3.28Å; E192-R288 IonicContact OE2-NH2 2.71Å; E192-R288 PolarHBondContact OE2-NH2 3.07Å; A202-R288 HydrophobicContact CB-CB 4.36Å; A202-R288 WeakPolarHBondContact O-CD 3.16Å; A202-R288 PolarHBondContact O-NH1 3.38Å; F205-R288 HydrophobicContact CB-CG 4.26Å; L279-R288 WeakPolarHBondContact O-CG 3.4Å; M280-R288 VanDerWaalsContact O-CD 3.26Å; M280-R288 WeakPolarHBondContact O-CD 3.27Å; M280-R288 VanDerWaalsContact O-CG 3.28Å; M280-R288 WeakPolarHBondContact O-CG 3.32Å; K282-R288 HydrophobicContact CB-CB 4.18Å; K282-R288 HydrophobicContact CB-CG 4.35Å; K282-R288 PolarHBondContact O-NE 3.47Å; K282-R288 PolarHBondContact O-NH2 3.12Å; W283-R288 PolarHBondContact O-NH2 2.84Å; W283-R288 VanDerWaalsContact O-NH2 3.11Å; N284-R288 WeakPolarHBondContact O-CB 3.44Å; N284-R288 PolarHBondContact O-N 3.39Å; N284-R288 VanDerWaalsContact O-N 3.14Å; Q285-R288 PolarHBondContact O-N 3.16Å; R288-G290 PolarHBondContact O-N 2.88Å
289G93.7Very high91.8Very high0 Ų068.1 Ų68.10%035%0.346CS..THydrogen-bonded Turntrans82.1-8.3-171.100000114.4L279 M300 C301L279-G289 PolarHBondContact O-N 3.11Å; G289-M300 PolarHBondContact O-N 2.83Å; G289-C301 VanDerWaalsContact CA-SG 3.52Å; G289-C301 PolarHBondContact O-N 2.61Å
290G93.6Very high91.7Very high14 Ų1469.7 Ų69.714%0.14435%0.353CS..  trans73.6-176.6178.600000113.8Q287 R288Q287-G290 PolarHBondContact O-N 3Å; Q287-G290 VanDerWaalsContact O-N 3.15Å; R288-G290 PolarHBondContact O-N 2.88Å
291P92.9Very high91.6Very high91 Ų9169.7 Ų69.759%0.59135%0.353SS*.PPolyproline II helixtrans-64.1147.1179.828-34.5000111.1M300P291-M300 HydrophobicContact CG-CB 4.31Å; P291-M300 WeakPolarHBondContact O-CB 3.44Å; P291-M300 PolarHBondContact O-N 2.95Å
292V90.1Very high91.6Very high93 Ų9369.9 Ų69.956%0.56435%0.354SS*.BIsolated β-bridgetrans-78.9125.1172179.90000108.9K297 R298V292-K297 VanDerWaalsContact CG1-C 3.49Å; V292-K297 WeakPolarHBondContact CG1-O 3.38Å; V292-R298 WeakPolarHBondContact CA-O 3.34Å
293Q88.3Confident91.5Very high79 Ų7969.8 Ų69.837%0.36936%0.355SS..PPolyproline II helixtrans-71.5135.5-179.7-70.8-66.35.100111.2A295 K297 R298 M300 E303Q293-A295 VanDerWaalsContact C-N 3.31Å; Q293-A295 PolarHBondContact O-N 2.85Å; Q293-K297 WeakPolarHBondContact O-CA 3.4Å; Q293-K297 PolarHBondContact O-N 2.89Å; Q293-R298 PolarHBondContact N-O 2.99Å; Q293-M300 PolarHBondContact NE2-SD 3.35Å; Q293-E303 HydrophobicContact CG-CG 4.07Å
294R85.1Confident91.6Very high241 Ų24169.3 Ų69.391%0.90936%0.355SS*.THydrogen-bonded Turntrans-65.2-34.9-176.4-68.1-177.1-178.4170.30.9112.9
295A84.9Confident91.7Very high103 Ų10366.2 Ų66.285%0.85134%0.339SS*.THydrogen-bonded Turntrans-75.9-54.3-175.500000112.1Q293Q293-A295 VanDerWaalsContact C-N 3.31Å; Q293-A295 PolarHBondContact O-N 2.85Å
296S84.9Confident91.7Very high48 Ų4866.7 Ų66.734%0.33634%0.342SS..THydrogen-bonded Turntrans-86.4-15.2-177.262.30000113.8R298 E303S296-R298 PolarHBondContact O-N 2.85Å; S296-R298 PolarHBondContact OG-N 3.03Å; S296-E303 WeakPolarHBondContact CB-OE1 3.41Å; S296-E303 PolarHBondContact OG-OE1 3.29Å
297K86.8Confident91.8Very high172 Ų17264 Ų6475%0.74833%0.333SS*.  trans5718.9-168.8-57.5-179.9-180175.80113.5V292 Q293V292-K297 VanDerWaalsContact CG1-C 3.49Å; V292-K297 WeakPolarHBondContact CG1-O 3.38Å; Q293-K297 WeakPolarHBondContact O-CA 3.4Å; Q293-K297 PolarHBondContact O-N 2.89Å
298R88.8Confident91.8Very high45 Ų4559 Ų5917%0.1731%0.31CS..  trans-100.8148.3179.2-67.4167.272.1-137.415.3111.2V292 Q293 S296 E303 D306V292-R298 WeakPolarHBondContact CA-O 3.34Å; Q293-R298 PolarHBondContact N-O 2.99Å; S296-R298 PolarHBondContact O-N 2.85Å; S296-R298 PolarHBondContact OG-N 3.03Å; R298-E303 WeakPolarHBondContact CB-OE1 3.09Å; R298-E303 IonicContact CZ-OE1 3.67Å; R298-E303 IonicContact NE-OE1 2.69Å; R298-E303 IonicContact NH1-OE1 3.33Å; R298-E303 PolarHBondContact NH1-OE1 3.21Å; R298-E303 IonicContact NH1-OE2 3.91Å; R298-D306 IonicContact CZ-OD2 3.82Å; R298-D306 IonicContact NH1-OD2 3.78Å; R298-D306 PolarHBondContact NH1-OD2 3.43Å; R298-D306 IonicContact NH2-OD1 3.84Å; R298-D306 PolarHBondContact NH2-OD1 3.12Å; R298-D306 IonicContact NH2-OD2 2.84Å; R298-D306 PolarHBondContact NH2-OD2 3.26Å
299P93.1Very high91.7Very high27 Ų2759.3 Ų59.318%0.17531%0.312CS..BIsolated β-bridgetrans-59.6142.9170.2-21.431.1000112.2F205 C301 F302 E303F205-P299 HydrophobicContact CE2-CB 4.47Å; F205-P299 HydrophobicContact CE2-CG 4.26Å; F205-P299 HydrophobicContact CZ-CB 4.48Å; F205-P299 HydrophobicContact CZ-CG 3.9Å; P299-C301 PolarHBondContact O-N 3.39Å; P299-C301 VanDerWaalsContact O-N 3.11Å; P299-F302 HydrophobicContact CB-CD2 4.24Å; P299-F302 HydrophobicContact CG-CD2 4.09Å; P299-F302 HydrophobicContact CG-CE2 4.44Å; P299-F302 PolarHBondContact O-N 3.47Å; P299-E303 PolarHBondContact O-N 3.25Å
300M95.3Very high91.5Very high57 Ų5764.9 Ų64.928%0.28134%0.342SS..Hα-helixtrans-51.8-35.2179.3-173.766.4173.700113.8L279 G289 P291 Q293 F302 E303 M304L279-M300 HydrophobicContact CD1-CB 4.19Å; L279-M300 HydrophobicContact CD1-CG 3.93Å; G289-M300 PolarHBondContact O-N 2.83Å; P291-M300 HydrophobicContact CG-CB 4.31Å; P291-M300 WeakPolarHBondContact O-CB 3.44Å; P291-M300 PolarHBondContact O-N 2.95Å; Q293-M300 PolarHBondContact NE2-SD 3.35Å; M300-F302 PolarHBondContact O-N 2.83Å; M300-E303 PolarHBondContact O-N 2.94Å; M300-M304 HydrophobicContact CE-CG 3.98Å; M300-M304 HydrophobicContact CE-SD 4.09Å; M300-M304 HydrophobicContact CG-CG 4.21Å; M300-M304 HydrophobicContact CG-SD 4.05Å; M300-M304 WeakPolarHBondContact O-CG 3.41Å; M300-M304 PolarHBondContact O-N 2.67Å; M300-M304 HydrophobicContact SD-CG 4.43Å
301C95.6Very high91.3Very high0 Ų065.6 Ų65.60%034%0.342CS..Hα-helixtrans-61.7-30.1-179.863.10000113.7L279 M280 G289 P299 L305L279-C301 HydrophobicContact CB-CB 4.03Å; L279-C301 HydrophobicContact CD1-CB 4.18Å; M280-C301 HydrophobicContact CE-CB 4.16Å; M280-C301 HydrophobicContact CG-CB 4.22Å; G289-C301 VanDerWaalsContact CA-SG 3.52Å; G289-C301 PolarHBondContact O-N 2.61Å; P299-C301 PolarHBondContact O-N 3.39Å; P299-C301 VanDerWaalsContact O-N 3.11Å; C301-L305 WeakPolarHBondContact O-CB 3.39Å; C301-L305 PolarHBondContact O-N 2.92Å; C301-L305 VanDerWaalsContact O-N 3.14Å
302F95.5Very high91.1Very high4 Ų462.6 Ų62.62%0.01832%0.323CS..Hα-helixtrans-84.3-31.3177.5-70.6-61.5000112.6I133 Q134 F205 P299 M300 L305 D306I133-F302 HydrophobicContact CB-CZ 4.48Å; I133-F302 HydrophobicContact CG2-CZ 3.91Å; Q134-F302 HydrophobicContact CG-CD1 3.87Å; Q134-F302 HydrophobicContact CG-CD2 4.09Å; Q134-F302 HydrophobicContact CG-CE1 3.88Å; Q134-F302 HydrophobicContact CG-CE2 4.1Å; Q134-F302 HydrophobicContact CG-CG 3.95Å; Q134-F302 HydrophobicContact CG-CZ 4Å; Q134-F302 VanDerWaalsContact NE2-CG 3.33Å; F205-F302 HydrophobicContact CD1-CE2 4.02Å; F205-F302 HydrophobicContact CD1-CZ 4.07Å; F205-F302 AromaticContact CE1-CE2 3.42Å; F205-F302 HydrophobicContact CE1-CE2 3.42Å; F205-F302 VanDerWaalsContact CE1-CE2 3.42Å; F205-F302 AromaticContact CE1-CZ 3.83Å; F205-F302 HydrophobicContact CE1-CZ 3.83Å; F205-F302 HydrophobicContact CZ-CE2 4.01Å; P299-F302 HydrophobicContact CB-CD2 4.24Å; P299-F302 HydrophobicContact CG-CD2 4.09Å; P299-F302 HydrophobicContact CG-CE2 4.44Å; P299-F302 PolarHBondContact O-N 3.47Å; M300-F302 PolarHBondContact O-N 2.83Å; F302-L305 HydrophobicContact CD1-CD2 4.12Å; F302-L305 WeakPolarHBondContact O-CB 3.31Å; F302-L305 PolarHBondContact O-N 3.11Å; F302-D306 VanDerWaalsContact O-CG 3.3Å; F302-D306 PolarHBondContact O-N 3.01Å
303E94.8Very high91.1Very high47 Ų4759.4 Ų59.422%0.2230%0.304CS..Hα-helixtrans-63.8-45.6170.4-61.8-68.3145.600110.6Q293 S296 R298 P299 M300 L305 D306 D307Q293-E303 HydrophobicContact CG-CG 4.07Å; S296-E303 WeakPolarHBondContact CB-OE1 3.41Å; S296-E303 PolarHBondContact OG-OE1 3.29Å; R298-E303 WeakPolarHBondContact CB-OE1 3.09Å; R298-E303 IonicContact CZ-OE1 3.67Å; R298-E303 IonicContact NE-OE1 2.69Å; R298-E303 IonicContact NH1-OE1 3.33Å; R298-E303 PolarHBondContact NH1-OE1 3.21Å; R298-E303 IonicContact NH1-OE2 3.91Å; P299-E303 PolarHBondContact O-N 3.25Å; M300-E303 PolarHBondContact O-N 2.94Å; E303-L305 VanDerWaalsContact C-N 3.25Å; E303-L305 PolarHBondContact O-N 2.79Å; E303-D306 PolarHBondContact O-N 3.05Å; E303-D307 PolarHBondContact O-N 2.9Å
304M95.6Very high91.2Very high43 Ų4355.7 Ų55.721%0.21229%0.287CS..Hα-helixtrans-64.6-31.1174.8-67.8-177.16800112.8N275 V276 L279 M300 L308N275-M304 HydrophobicContact CB-CE 3.6Å; V276-M304 HydrophobicContact CG2-CB 3.81Å; L279-M304 HydrophobicContact CD1-SD 3.49Å; L279-M304 WeakPolarHBondContact CD1-SD 3.26Å; M300-M304 HydrophobicContact CE-CG 3.98Å; M300-M304 HydrophobicContact CE-SD 4.09Å; M300-M304 HydrophobicContact CG-CG 4.21Å; M300-M304 HydrophobicContact CG-SD 4.05Å; M300-M304 WeakPolarHBondContact O-CG 3.41Å; M300-M304 PolarHBondContact O-N 2.67Å; M300-M304 HydrophobicContact SD-CG 4.43Å; M304-L308 VanDerWaalsContact O-CB 3.3Å; M304-L308 WeakPolarHBondContact O-CB 3.18Å; M304-L308 PolarHBondContact O-N 3.27Å
305L95.1Very high91.6Very high1 Ų144.6 Ų44.61%0.00525%0.245CC..Hα-helixtrans-67.4-45.1174.4-177.662.1000110.9L126 F208 C301 F302 E303 L308 L309L126-L305 HydrophobicContact CB-CD1 4.03Å; L126-L305 HydrophobicContact CD1-CD1 4.31Å; L126-L305 HydrophobicContact CD2-CD1 3.81Å; L126-L305 HydrophobicContact CG-CD1 4.26Å; F208-L305 HydrophobicContact CE1-CD2 4.18Å; C301-L305 WeakPolarHBondContact O-CB 3.39Å; C301-L305 PolarHBondContact O-N 2.92Å; C301-L305 VanDerWaalsContact O-N 3.14Å; F302-L305 HydrophobicContact CD1-CD2 4.12Å; F302-L305 WeakPolarHBondContact O-CB 3.31Å; F302-L305 PolarHBondContact O-N 3.11Å; E303-L305 VanDerWaalsContact C-N 3.25Å; E303-L305 PolarHBondContact O-N 2.79Å; L305-L308 WeakPolarHBondContact O-CB 3.42Å; L305-L308 PolarHBondContact O-N 3.38Å; L305-L309 HydrophobicContact CD1-CD1 4.27Å; L305-L309 HydrophobicContact CD1-CG 4.4Å; L305-L309 HydrophobicContact CG-CD1 3.98Å; L305-L309 WeakPolarHBondContact O-CB 3.14Å; L305-L309 VanDerWaalsContact O-CG 3.26Å; L305-L309 WeakPolarHBondContact O-CG 3.43Å; L305-L309 PolarHBondContact O-N 2.9Å
306D93.1Very high92.1Very high47 Ų4739.7 Ų39.725%0.25120%0.204SC..Hα-helixtrans-64.5-42.3176-66.4-13000111.1R298 F302 E303 L308 L309 N310R298-D306 IonicContact CZ-OD2 3.82Å; R298-D306 IonicContact NH1-OD2 3.78Å; R298-D306 PolarHBondContact NH1-OD2 3.43Å; R298-D306 IonicContact NH2-OD1 3.84Å; R298-D306 PolarHBondContact NH2-OD1 3.12Å; R298-D306 IonicContact NH2-OD2 2.84Å; R298-D306 PolarHBondContact NH2-OD2 3.26Å; F302-D306 VanDerWaalsContact O-CG 3.3Å; F302-D306 PolarHBondContact O-N 3.01Å; E303-D306 PolarHBondContact O-N 3.05Å; D306-L308 VanDerWaalsContact C-N 3.28Å; D306-L308 PolarHBondContact O-N 3.27Å; D306-L309 PolarHBondContact O-N 3.38Å; D306-N310 VanDerWaalsContact O-CB 3.24Å; D306-N310 WeakPolarHBondContact O-CB 3.38Å; D306-N310 PolarHBondContact O-N 2.89Å; D306-N310 PolarHBondContact O-ND2 3.24Å
307D92.6Very high92.6Very high112 Ų11237.6 Ų37.660%0.59919%0.189SC*.Hα-helixtrans-57.5-42.6175-76.1-22.6000111.6E303 M311E303-D307 PolarHBondContact O-N 2.9Å; D307-M311 VanDerWaalsContact O-CG 3.26Å; D307-M311 WeakPolarHBondContact O-CG 3.48Å; D307-M311 PolarHBondContact O-N 2.87Å
308L93.5Very high93Very high8 Ų829.6 Ų29.64%0.04216%0.155CC..Hα-helixtrans-64.9-48.1176.2175.2163.3000111.5L123 L126 L269 P272 L273 V276 M304 L305 D306 N310 M311L123-L308 HydrophobicContact CD2-CD2 3.94Å; L126-L308 HydrophobicContact CD1-CD2 4.26Å; L269-L308 HydrophobicContact CD1-CD1 3.9Å; L269-L308 HydrophobicContact CD1-CD2 3.58Å; L269-L308 HydrophobicContact CD1-CG 3.67Å; P272-L308 HydrophobicContact CB-CB 4.44Å; P272-L308 HydrophobicContact CB-CD1 3.88Å; P272-L308 HydrophobicContact CB-CG 4.18Å; L273-L308 HydrophobicContact CB-CD1 3.98Å; L273-L308 HydrophobicContact CD1-CD1 4.1Å; V276-L308 HydrophobicContact CG2-CD1 4.38Å; M304-L308 VanDerWaalsContact O-CB 3.3Å; M304-L308 WeakPolarHBondContact O-CB 3.18Å; M304-L308 PolarHBondContact O-N 3.27Å; L305-L308 WeakPolarHBondContact O-CB 3.42Å; L305-L308 PolarHBondContact O-N 3.38Å; D306-L308 VanDerWaalsContact C-N 3.28Å; D306-L308 PolarHBondContact O-N 3.27Å; L308-N310 VanDerWaalsContact C-N 3.29Å; L308-N310 PolarHBondContact O-N 3.31Å; L308-M311 WeakPolarHBondContact O-CB 3.26Å; L308-M311 WeakPolarHBondContact O-CG 3.46Å; L308-M311 PolarHBondContact O-N 3.25Å
309L91.6Very high93.3Very high13 Ų1327.4 Ų27.47%0.06815%0.147CC..Hα-helixtrans-67.3-31.2-179.1-70170.8000112L123 L126 H127 L305 D306 M311 M378L123-L309 HydrophobicContact CD2-CD2 4.08Å; L126-L309 HydrophobicContact CB-CD2 4.11Å; H127-L309 HydrophobicContact CB-CD1 3.97Å; H127-L309 HydrophobicContact CB-CD2 4.21Å; L305-L309 HydrophobicContact CD1-CD1 4.27Å; L305-L309 HydrophobicContact CD1-CG 4.4Å; L305-L309 HydrophobicContact CG-CD1 3.98Å; L305-L309 WeakPolarHBondContact O-CB 3.14Å; L305-L309 VanDerWaalsContact O-CG 3.26Å; L305-L309 WeakPolarHBondContact O-CG 3.43Å; L305-L309 PolarHBondContact O-N 2.9Å; D306-L309 PolarHBondContact O-N 3.38Å; L309-M311 VanDerWaalsContact C-N 3.27Å; L309-M311 PolarHBondContact O-N 2.93Å; L309-M378 HydrophobicContact CB-CE 4.16Å; L309-M378 HydrophobicContact CB-SD 4.38Å; L309-M378 HydrophobicContact CD2-SD 4.46Å; L309-M378 WeakPolarHBondContact O-CE 3.48Å
310N90.1Very high93.2Very high117 Ų11728.1 Ų28.163%0.62615%0.15SC*.THydrogen-bonded Turntrans-84.23.3177.8-67.9-41.1000113.5D306 L308 S312D306-N310 VanDerWaalsContact O-CB 3.24Å; D306-N310 WeakPolarHBondContact O-CB 3.38Å; D306-N310 PolarHBondContact O-N 2.89Å; D306-N310 PolarHBondContact O-ND2 3.24Å; L308-N310 VanDerWaalsContact C-N 3.29Å; L308-N310 PolarHBondContact O-N 3.31Å; N310-S312 PolarHBondContact O-N 2.89Å
311M89.4Confident93Very high30 Ų3027.2 Ų27.215%0.14815%0.148CC..  trans-65.3123.6175.9-71.2-177.936.100110.9P272 D307 L308 L309 V313 K328P272-M311 HydrophobicContact CB-SD 4.36Å; P272-M311 HydrophobicContact CG-CE 4.38Å; P272-M311 HydrophobicContact CG-SD 3.98Å; D307-M311 VanDerWaalsContact O-CG 3.26Å; D307-M311 WeakPolarHBondContact O-CG 3.48Å; D307-M311 PolarHBondContact O-N 2.87Å; L308-M311 WeakPolarHBondContact O-CB 3.26Å; L308-M311 WeakPolarHBondContact O-CG 3.46Å; L308-M311 PolarHBondContact O-N 3.25Å; L309-M311 VanDerWaalsContact C-N 3.27Å; L309-M311 PolarHBondContact O-N 2.93Å; M311-V313 HydrophobicContact CB-CG2 4.02Å; M311-V313 HydrophobicContact CE-CG2 3.88Å; M311-V313 PolarHBondContact O-N 3.38Å; M311-K328 HydrophobicContact CE-CD 4.03Å; M311-K328 HydrophobicContact CE-CG 4.33Å
312S88.6Confident92.8Very high27 Ų2728.4 Ų28.419%0.18916%0.158CC..  trans-80.9108.8167-165.10000108.9N310 K328 L329 V373N310-S312 PolarHBondContact O-N 2.89Å; S312-K328 WeakPolarHBondContact O-CA 3.38Å; S312-L329 PolarHBondContact O-N 3.08Å; S312-V373 WeakPolarHBondContact OG-CG2 3.33Å
313V89.9Confident92.6Very high27 Ų2732.3 Ų32.316%0.16418%0.176CC..EExtended strand (participates in β ladder)trans-119.8129.5179.3-175.80000109.1T268 M311 H315 F327T268-V313 HydrophobicContact CG2-CG1 4.46Å; M311-V313 HydrophobicContact CB-CG2 4.02Å; M311-V313 HydrophobicContact CE-CG2 3.88Å; M311-V313 PolarHBondContact O-N 3.38Å; V313-H315 VanDerWaalsContact CG1-CE1 3.49Å; V313-H315 WeakPolarHBondContact CG1-CE1 3.26Å; V313-F327 WeakPolarHBondContact CA-O 3.41Å
314V91.6Very high92.5Very high1 Ų132.2 Ų32.21%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-102.3135.3169.361.60000109.9I316 S326 F327 L329 L338 C372 V373 V386V314-I316 HydrophobicContact CG1-CD1 4.46Å; V314-I316 HydrophobicContact CG2-CD1 4.31Å; V314-I316 HydrophobicContact CG2-CG1 3.87Å; V314-S326 WeakPolarHBondContact O-CA 3.25Å; V314-F327 HydrophobicContact CG1-CB 3.86Å; V314-F327 HydrophobicContact CG1-CD2 4.46Å; V314-F327 PolarHBondContact N-O 3.07Å; V314-F327 PolarHBondContact O-N 2.96Å; V314-L329 HydrophobicContact CB-CD1 4.01Å; V314-L329 HydrophobicContact CB-CG 4.33Å; V314-L329 HydrophobicContact CG1-CD1 3.98Å; V314-L329 HydrophobicContact CG1-CD2 3.72Å; V314-L329 HydrophobicContact CG1-CG 3.87Å; V314-L338 HydrophobicContact CG1-CD1 4.14Å; V314-L338 HydrophobicContact CG1-CD2 4.07Å; V314-C372 HydrophobicContact CB-CB 4.04Å; V314-C372 HydrophobicContact CG2-CB 3.34Å; V314-V373 HydrophobicContact CB-CG2 4.44Å; V314-V386 HydrophobicContact CG2-CG2 4.32Å
315H93.3Very high92.4Very high8 Ų830.8 Ų30.84%0.03717%0.172CC..EExtended strand (participates in β ladder)trans-107.6130.2172-54.2-73.7000109.6E119 V313 V324 L325 S326 W381 I385 V386E119-H315 IonicContact OE1-CE1 2.67Å; E119-H315 IonicContact OE1-NE2 2.83Å; V313-H315 VanDerWaalsContact CG1-CE1 3.49Å; V313-H315 WeakPolarHBondContact CG1-CE1 3.26Å; H315-V324 HydrophobicContact CB-CG1 4.24Å; H315-L325 CarbonylContact C-O 3.47Å; H315-L325 WeakPolarHBondContact CA-O 3.47Å; H315-S326 PolarHBondContact ND1-OG 3.19Å; H315-W381 HydrophobicContact CB-CB 3.85Å; H315-W381 VanDerWaalsContact CD2-CA 3.4Å; H315-W381 WeakPolarHBondContact CD2-CA 3.4Å; H315-W381 VanDerWaalsContact CD2-CB 3.45Å; H315-W381 WeakPolarHBondContact CD2-CB 3.38Å; H315-I385 HydrophobicContact CB-CG1 4.18Å; H315-I385 WeakPolarHBondContact O-CG1 3.49Å; H315-V386 PolarHBondContact O-N 2.68Å
316I95.2Very high92.3Very high0 Ų031 Ų310%017%0.174CC..EExtended strand (participates in β ladder)trans-127115.1-174.6-54.5-177.3000108.9V314 N318 V324 L325 F327 L338 I342 L355 V386 L388V314-I316 HydrophobicContact CG1-CD1 4.46Å; V314-I316 HydrophobicContact CG2-CD1 4.31Å; V314-I316 HydrophobicContact CG2-CG1 3.87Å; I316-N318 PolarHBondContact O-N 3.03Å; I316-V324 WeakPolarHBondContact O-CA 3.28Å; I316-L325 PolarHBondContact N-O 3.41Å; I316-L325 PolarHBondContact O-N 3.37Å; I316-F327 HydrophobicContact CD1-CD2 4.06Å; I316-F327 HydrophobicContact CD1-CE2 4.14Å; I316-L338 HydrophobicContact CD1-CD2 4.45Å; I316-I342 HydrophobicContact CD1-CD1 3.35Å; I316-I342 HydrophobicContact CD1-CG1 3.85Å; I316-L355 HydrophobicContact CD1-CD2 4.39Å; I316-L355 HydrophobicContact CG2-CD2 4.03Å; I316-V386 CarbonylContact C-O 3.59Å; I316-V386 VanDerWaalsContact CA-O 3.25Å; I316-V386 WeakPolarHBondContact CA-O 3.46Å; I316-V386 HydrophobicContact CG1-CB 4.4Å; I316-L388 HydrophobicContact CG2-CB 3.65Å
317L95.6Very high92.3Very high3 Ų329 Ų292%0.01616%0.163CC..EExtended strand (participates in β ladder)trans-83.2111.6171.7-178.658.6000109.4M319 V324 I385 V386 Y387 L388 R445 L446L317-M319 HydrophobicContact CD2-SD 3.74Å; L317-M319 HydrophobicContact CG-SD 3.86Å; L317-M319 PolarHBondContact O-N 3.35Å; L317-V324 HydrophobicContact CD1-CG2 3.86Å; L317-I385 HydrophobicContact CB-CD1 3.69Å; L317-I385 HydrophobicContact CB-CG1 4.1Å; L317-V386 PolarHBondContact N-O 3.29Å; L317-Y387 HydrophobicContact CB-CD1 4.05Å; L317-Y387 HydrophobicContact CB-CE1 4.48Å; L317-Y387 HydrophobicContact CD2-CD1 3.9Å; L317-Y387 HydrophobicContact CD2-CE1 3.9Å; L317-Y387 HydrophobicContact CG-CD1 4.42Å; L317-L388 PolarHBondContact O-N 3.49Å; L317-R445 HydrophobicContact CD2-CB 3.97Å; L317-L446 HydrophobicContact CD1-CD2 4.39Å; L317-L446 HydrophobicContact CD2-CD2 3.99Å; L317-L446 HydrophobicContact CD2-CG 4.45Å; L317-L446 HydrophobicContact CG-CD2 4.41Å
318N95.1Very high92.3Very high4 Ų429.2 Ų29.22%0.02116%0.158CC..EExtended strand (participates in β ladder)trans-72.5108169.8-176.9-19.7000109I316 T320 T321 A322 Q323 L388I316-N318 PolarHBondContact O-N 3.03Å; N318-T320 PolarHBondContact O-N 2.87Å; N318-T320 WeakPolarHBondContact OD1-CA 3.37Å; N318-T320 VanDerWaalsContact OD1-CB 3.28Å; N318-T320 WeakPolarHBondContact OD1-CB 3.45Å; N318-T320 PolarHBondContact OD1-N 3.29Å; N318-T321 WeakPolarHBondContact CB-OG1 3.44Å; N318-T321 VanDerWaalsContact CG-OG1 3.32Å; N318-T321 PolarHBondContact ND2-OG1 3Å; N318-T321 PolarHBondContact O-N 2.72Å; N318-T321 PolarHBondContact OD1-N 3.49Å; N318-A322 VanDerWaalsContact O-CA 3.25Å; N318-A322 WeakPolarHBondContact O-CA 3.46Å; N318-A322 PolarHBondContact O-N 2.88Å; N318-Q323 PolarHBondContact N-O 3.05Å; N318-L388 HydrophobicContact CB-CD2 4.49Å
319M94.7Very high92.2Very high0 Ų029.1 Ų29.10%016%0.158CC..THydrogen-bonded Turntrans-70.7-15.3-178-63.2-62.4-58.200112.4L317 Y387 L388 F389 Y396 L446 Y610 L613L317-M319 HydrophobicContact CD2-SD 3.74Å; L317-M319 HydrophobicContact CG-SD 3.86Å; L317-M319 PolarHBondContact O-N 3.35Å; M319-Y387 HydrophobicContact SD-CD1 3.87Å; M319-L388 VanDerWaalsContact CB-O 3.3Å; M319-L388 WeakPolarHBondContact CB-O 3.34Å; M319-L388 WeakPolarHBondContact CG-O 3.35Å; M319-L388 PolarHBondContact N-O 2.84Å; M319-F389 HydrophobicContact CB-CD1 3.93Å; M319-F389 HydrophobicContact CB-CE1 3.74Å; M319-F389 HydrophobicContact CB-CZ 4.23Å; M319-F389 HydrophobicContact CE-CE1 4.35Å; M319-F389 HydrophobicContact CE-CZ 4.32Å; M319-F389 HydrophobicContact CG-CD1 4.1Å; M319-F389 HydrophobicContact CG-CD2 4.43Å; M319-F389 HydrophobicContact CG-CE1 3.6Å; M319-F389 HydrophobicContact CG-CE2 3.99Å; M319-F389 HydrophobicContact CG-CG 4.49Å; M319-F389 HydrophobicContact CG-CZ 3.55Å; M319-F389 HydrophobicContact SD-CZ 4.43Å; M319-Y396 HydrophobicContact CB-CE1 4.28Å; M319-Y396 WeakPolarHBondContact O-CD1 3.42Å; M319-Y396 WeakPolarHBondContact O-CE1 3.3Å; M319-L446 HydrophobicContact CE-CD2 4Å; M319-L446 HydrophobicContact SD-CD2 4.1Å; M319-Y610 WeakPolarHBondContact O-CE1 3.4Å; M319-Y610 PolarHBondContact O-OH 3.28Å; M319-Y610 VanDerWaalsContact O-OH 3.13Å; M319-L613 HydrophobicContact CE-CD2 4.1Å
320T91.6Very high92.1Very high41 Ų4132 Ų3225%0.25218%0.179SC..THydrogen-bonded Turntrans-82.3-36.4177.5-51.70000111.6N318 I393 Y396 L400N318-T320 PolarHBondContact O-N 2.87Å; N318-T320 WeakPolarHBondContact OD1-CA 3.37Å; N318-T320 VanDerWaalsContact OD1-CB 3.28Å; N318-T320 WeakPolarHBondContact OD1-CB 3.45Å; N318-T320 PolarHBondContact OD1-N 3.29Å; T320-I393 HydrophobicContact CG2-CD1 3.71Å; T320-Y396 HydrophobicContact CG2-CE1 4.48Å; T320-Y396 WeakPolarHBondContact OG1-CE1 3.33Å; T320-Y396 PolarHBondContact OG1-OH 2.84Å; T320-L400 WeakPolarHBondContact O-CD2 3.39Å
321T91.3Very high91.9Very high38 Ų3831 Ų3123%0.23318%0.179CC..THydrogen-bonded Turntrans-108.2-9.4-176.1670000114.1N318 Q323 N401N318-T321 WeakPolarHBondContact CB-OG1 3.44Å; N318-T321 VanDerWaalsContact CG-OG1 3.32Å; N318-T321 PolarHBondContact ND2-OG1 3Å; N318-T321 PolarHBondContact O-N 2.72Å; N318-T321 PolarHBondContact OD1-N 3.49Å; T321-Q323 PolarHBondContact O-N 3.25Å; T321-Q323 PolarHBondContact OG1-N 3.31Å; T321-N401 PolarHBondContact O-N 2.97Å
322A91.6Very high91.9Very high26 Ų2637 Ų3722%0.21521%0.211CC..THydrogen-bonded Turntrans60.519.9-169.900000115.2N318 L400 L446N318-A322 VanDerWaalsContact O-CA 3.25Å; N318-A322 WeakPolarHBondContact O-CA 3.46Å; N318-A322 PolarHBondContact O-N 2.88Å; A322-L400 HydrophobicContact CB-CB 4.15Å; A322-L400 HydrophobicContact CB-CD2 4.23Å; A322-L446 HydrophobicContact CB-CD1 4.09Å; A322-L446 HydrophobicContact CB-CD2 4.02Å
323Q90.9Very high92.2Very high86 Ų8636.5 Ų36.540%0.40221%0.206SC..EExtended strand (participates in β ladder)trans-95.3142.4178.4-69.3-179-32.100112.4N318 T321 N401N318-Q323 PolarHBondContact N-O 3.05Å; T321-Q323 PolarHBondContact O-N 3.25Å; T321-Q323 PolarHBondContact OG1-N 3.31Å; Q323-N401 HydrophobicContact CG-CB 3.92Å; Q323-N401 PolarHBondContact NE2-ND2 3.3Å
324V92.1Very high92.4Very high45 Ų4538.1 Ų38.127%0.27322%0.219SC..EExtended strand (participates in β ladder)trans-92.4118.7171-1790000109.3H315 I316 L317 W381 I385H315-V324 HydrophobicContact CB-CG1 4.24Å; I316-V324 WeakPolarHBondContact O-CA 3.28Å; L317-V324 HydrophobicContact CD1-CG2 3.86Å; V324-W381 HydrophobicContact CG1-CE3 4.25Å; V324-W381 HydrophobicContact CG2-CE3 4.17Å; V324-W381 HydrophobicContact CG2-CZ3 4.07Å; V324-I385 HydrophobicContact CG1-CD1 4.04Å; V324-I385 HydrophobicContact CG2-CD1 3.97Å
325L92.9Very high92.7Very high12 Ų1238.2 Ų38.26%0.06322%0.219CC..EExtended strand (participates in β ladder)trans-97.9138.2173.9-53.4173.8000108.7H315 I316 F327 T346H315-L325 CarbonylContact C-O 3.47Å; H315-L325 WeakPolarHBondContact CA-O 3.47Å; I316-L325 PolarHBondContact N-O 3.41Å; I316-L325 PolarHBondContact O-N 3.37Å; L325-F327 HydrophobicContact CB-CD2 4.37Å; L325-F327 HydrophobicContact CB-CE2 3.54Å; L325-F327 HydrophobicContact CB-CZ 4.01Å; L325-F327 HydrophobicContact CD1-CE2 4.26Å; L325-F327 HydrophobicContact CD1-CZ 4.3Å; L325-T346 HydrophobicContact CD1-CG2 3.35Å
326S92.8Very high92.8Very high7 Ų743.1 Ų43.15%0.04924%0.242CC..EExtended strand (participates in β ladder)trans-123.2128.7179-53.50000109.8R267 V314 H315R267-S326 PolarHBondContact NE-O 2.98Å; R267-S326 PolarHBondContact NH2-O 3.15Å; V314-S326 WeakPolarHBondContact O-CA 3.25Å; H315-S326 PolarHBondContact ND1-OG 3.19Å
327F93.2Very high92.9Very high4 Ų445.5 Ų45.52%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-128.2124.2-177.9-60.1-83.1000110.1V313 V314 I316 L325 L329 L338 R341 I342 E345V313-F327 WeakPolarHBondContact CA-O 3.41Å; V314-F327 HydrophobicContact CG1-CB 3.86Å; V314-F327 HydrophobicContact CG1-CD2 4.46Å; V314-F327 PolarHBondContact N-O 3.07Å; V314-F327 PolarHBondContact O-N 2.96Å; I316-F327 HydrophobicContact CD1-CD2 4.06Å; I316-F327 HydrophobicContact CD1-CE2 4.14Å; L325-F327 HydrophobicContact CB-CD2 4.37Å; L325-F327 HydrophobicContact CB-CE2 3.54Å; L325-F327 HydrophobicContact CB-CZ 4.01Å; L325-F327 HydrophobicContact CD1-CE2 4.26Å; L325-F327 HydrophobicContact CD1-CZ 4.3Å; F327-L329 PolarHBondContact O-N 3.41Å; F327-L338 HydrophobicContact CB-CD1 3.98Å; F327-L338 HydrophobicContact CD2-CD1 4.11Å; F327-L338 HydrophobicContact CG-CD1 4Å; F327-R341 HydrophobicContact CD1-CB 4.36Å; F327-R341 HydrophobicContact CE1-CB 4.17Å; F327-I342 HydrophobicContact CE2-CG1 3.91Å; F327-I342 HydrophobicContact CZ-CG1 4.16Å; F327-E345 HydrophobicContact CE1-CG 4.44Å; F327-E345 WeakPolarHBondContact CE1-OE1 3.32Å; F327-E345 HydrophobicContact CZ-CG 4.49Å
328K92.4Very high93Very high116 Ų11645.4 Ų45.450%0.50426%0.258SS..EExtended strand (participates in β ladder)trans-68.2129.1164.2-175.5179-178.9171.20108.7M311 S312 R341M311-K328 HydrophobicContact CE-CD 4.03Å; M311-K328 HydrophobicContact CE-CG 4.33Å; S312-K328 WeakPolarHBondContact O-CA 3.38Å; K328-R341 PolarHBondContact O-NH1 3.37Å; K328-R341 PolarHBondContact O-NH2 3.47Å
329L91.9Very high93.1Very high6 Ų646.5 Ų46.53%0.03126%0.263CS..PPolyproline II helixtrans-100.1145.5178.1-60.8-175.8000111.1S312 V314 F327 E333 L338 A369 V373S312-L329 PolarHBondContact O-N 3.08Å; V314-L329 HydrophobicContact CB-CD1 4.01Å; V314-L329 HydrophobicContact CB-CG 4.33Å; V314-L329 HydrophobicContact CG1-CD1 3.98Å; V314-L329 HydrophobicContact CG1-CD2 3.72Å; V314-L329 HydrophobicContact CG1-CG 3.87Å; F327-L329 PolarHBondContact O-N 3.41Å; L329-E333 WeakPolarHBondContact CA-OE2 3.2Å; L329-L338 HydrophobicContact CD2-CD1 3.93Å; L329-L338 HydrophobicContact CD2-CD2 4.14Å; L329-L338 HydrophobicContact CD2-CG 4.46Å; L329-A369 HydrophobicContact CD1-CB 4.08Å; L329-A369 HydrophobicContact CD2-CB 4Å; L329-V373 HydrophobicContact CD1-CG2 3.8Å
330S90.4Very high93.3Very high73 Ų7350.8 Ų50.851%0.5128%0.284SS..PPolyproline II helixtrans-91.1148.3165.6-540000110.1D332 E333S330-D332 PolarHBondContact O-N 3.42Å; S330-D332 VanDerWaalsContact O-N 3.1Å; S330-E333 PolarHBondContact N-OE2 2.94Å; S330-E333 VanDerWaalsContact N-OE2 3.15Å; S330-E333 VanDerWaalsContact O-CB 3.28Å; S330-E333 WeakPolarHBondContact O-CB 3.19Å; S330-E333 PolarHBondContact O-N 3.5Å
331P85.3Confident93.6Very high97 Ų9752.8 Ų52.863%0.6329%0.287SS*.THydrogen-bonded Turntrans-52-37.2-175.9-2935.4000114.9N370P331-N370 PolarHBondContact O-ND2 3.05Å
332D88.9Confident93.9Very high155 Ų15551 Ų5183%0.82928%0.276SS*.THydrogen-bonded Turntrans-102.712-177.4-54.9-52.9000113.2S330 S334S330-D332 PolarHBondContact O-N 3.42Å; S330-D332 VanDerWaalsContact O-N 3.1Å; D332-S334 PolarHBondContact O-N 3.35Å
333E94.6Very high94.2Very high18 Ų1852.2 Ų52.28%0.08428%0.277CS..  trans-66.2127.8-178.8-171.4169.3-174.300110.8L329 S330 S337 R341 A369L329-E333 WeakPolarHBondContact CA-OE2 3.2Å; S330-E333 PolarHBondContact N-OE2 2.94Å; S330-E333 VanDerWaalsContact N-OE2 3.15Å; S330-E333 VanDerWaalsContact O-CB 3.28Å; S330-E333 WeakPolarHBondContact O-CB 3.19Å; S330-E333 PolarHBondContact O-N 3.5Å; E333-S337 PolarHBondContact OE1-OG 3.27Å; E333-R341 WeakPolarHBondContact OE1-CD 3.36Å; E333-R341 IonicContact OE1-CZ 3.34Å; E333-R341 IonicContact OE1-NH1 2.76Å; E333-R341 PolarHBondContact OE1-NH1 3Å; E333-R341 IonicContact OE2-NH1 2.65Å; E333-R341 PolarHBondContact OE2-NH1 3.29Å; E333-R341 VanDerWaalsContact OE2-NH1 3.09Å; E333-A369 HydrophobicContact CB-CB 4.32Å; E333-A369 HydrophobicContact CG-CB 4.33Å; E333-A369 WeakPolarHBondContact O-CB 3.27Å; E333-A369 PolarHBondContact O-N 2.79Å
334S96.1Very high94.5Very high60 Ų6051.1 Ų51.142%0.4228%0.283SS..BIsolated β-bridgetrans-75152.9175.769.60000111.2D332 H336 S337 L338D332-S334 PolarHBondContact O-N 3.35Å; S334-H336 PolarHBondContact O-N 2.93Å; S334-S337 WeakPolarHBondContact O-CB 3.41Å; S334-S337 PolarHBondContact O-N 2.91Å; S334-S337 PolarHBondContact OG-N 3.37Å; S334-L338 PolarHBondContact O-N 3.28Å
335L96.4Very high94.6Very high4 Ų453.1 Ų53.12%0.02129%0.29CS..Hα-helixtrans-57.7-37.1174.4-177.462.5000111.4S337 L338 Q339 L355 L363L335-S337 PolarHBondContact O-N 2.86Å; L335-L338 HydrophobicContact CD1-CD2 4.28Å; L335-L338 WeakPolarHBondContact O-CB 3.3Å; L335-L338 PolarHBondContact O-N 3.25Å; L335-Q339 HydrophobicContact CG-CG 4.35Å; L335-Q339 WeakPolarHBondContact O-CG 3.48Å; L335-Q339 PolarHBondContact O-N 3.23Å; L335-L355 HydrophobicContact CD1-CD1 4.12Å; L335-L363 HydrophobicContact CD1-CD1 3.82Å; L335-L363 HydrophobicContact CD2-CB 3.79Å
336H96.7Very high94.7Very high110 Ų11053.7 Ų53.751%0.50929%0.294SS..Hα-helixtrans-61.9-41.9178.2-17561.8000112.7S334 L338 Q339 M340S334-H336 PolarHBondContact O-N 2.93Å; H336-L338 VanDerWaalsContact C-N 3.32Å; H336-L338 PolarHBondContact O-N 2.93Å; H336-Q339 WeakPolarHBondContact O-CB 3.36Å; H336-Q339 PolarHBondContact O-N 3.39Å; H336-Q339 VanDerWaalsContact O-N 3.16Å; H336-M340 WeakPolarHBondContact O-CG 3.26Å; H336-M340 PolarHBondContact O-N 3.36Å
337S97.1Very high94.8Very high51 Ų5161.2 Ų61.236%0.35733%0.325SS..Hα-helixtrans-59.4-44174.1177.10000111.6E333 S334 L335 Q339 M340 R341E333-S337 PolarHBondContact OE1-OG 3.27Å; S334-S337 WeakPolarHBondContact O-CB 3.41Å; S334-S337 PolarHBondContact O-N 2.91Å; S334-S337 PolarHBondContact OG-N 3.37Å; L335-S337 PolarHBondContact O-N 2.86Å; S337-Q339 PolarHBondContact O-N 2.86Å; S337-M340 PolarHBondContact O-N 2.67Å; S337-R341 PolarHBondContact O-N 2.83Å
338L97.1Very high95Very high0 Ų061.4 Ų61.40%033%0.327CS..Hα-helixtrans-61.7-43.6174.5175.661.9000111.3V314 I316 F327 L329 S334 L335 H336 M340 R341 I342 A369V314-L338 HydrophobicContact CG1-CD1 4.14Å; V314-L338 HydrophobicContact CG1-CD2 4.07Å; I316-L338 HydrophobicContact CD1-CD2 4.45Å; F327-L338 HydrophobicContact CB-CD1 3.98Å; F327-L338 HydrophobicContact CD2-CD1 4.11Å; F327-L338 HydrophobicContact CG-CD1 4Å; L329-L338 HydrophobicContact CD2-CD1 3.93Å; L329-L338 HydrophobicContact CD2-CD2 4.14Å; L329-L338 HydrophobicContact CD2-CG 4.46Å; S334-L338 PolarHBondContact O-N 3.28Å; L335-L338 HydrophobicContact CD1-CD2 4.28Å; L335-L338 WeakPolarHBondContact O-CB 3.3Å; L335-L338 PolarHBondContact O-N 3.25Å; H336-L338 VanDerWaalsContact C-N 3.32Å; H336-L338 PolarHBondContact O-N 2.93Å; L338-M340 VanDerWaalsContact C-N 3.33Å; L338-M340 PolarHBondContact O-N 2.94Å; L338-R341 WeakPolarHBondContact O-CB 3.19Å; L338-R341 PolarHBondContact O-N 3.37Å; L338-R341 VanDerWaalsContact O-N 3.08Å; L338-I342 HydrophobicContact CD1-CD1 4.37Å; L338-I342 HydrophobicContact CD1-CG1 4.35Å; L338-I342 HydrophobicContact CG-CD1 3.96Å; L338-I342 HydrophobicContact CG-CG1 4.41Å; L338-I342 WeakPolarHBondContact O-CG1 3.48Å; L338-I342 PolarHBondContact O-N 2.83Å; L338-A369 HydrophobicContact CB-CB 4.1Å; L338-A369 HydrophobicContact CD2-CB 4.04Å
339Q97.9Very high95.2Very high27 Ų2761.1 Ų61.113%0.12633%0.327CS..Hα-helixtrans-61-37.5178.1-70.6177.1-6200113L335 H336 S337 R341 I342 E343 V350 Q353 L355L335-Q339 HydrophobicContact CG-CG 4.35Å; L335-Q339 WeakPolarHBondContact O-CG 3.48Å; L335-Q339 PolarHBondContact O-N 3.23Å; H336-Q339 WeakPolarHBondContact O-CB 3.36Å; H336-Q339 PolarHBondContact O-N 3.39Å; H336-Q339 VanDerWaalsContact O-N 3.16Å; S337-Q339 PolarHBondContact O-N 2.86Å; Q339-R341 VanDerWaalsContact C-N 3.32Å; Q339-R341 PolarHBondContact O-N 3.42Å; Q339-I342 WeakPolarHBondContact O-CB 3.33Å; Q339-I342 PolarHBondContact O-N 2.8Å; Q339-E343 WeakPolarHBondContact O-CB 3.34Å; Q339-E343 PolarHBondContact O-N 3.45Å; Q339-V350 HydrophobicContact CB-CB 4.49Å; Q339-V350 HydrophobicContact CB-CG1 3.89Å; Q339-V350 HydrophobicContact CB-CG2 4.03Å; Q339-Q353 VanDerWaalsContact CB-OE1 3.3Å; Q339-Q353 PolarHBondContact O-NE2 3.28Å; Q339-Q353 PolarHBondContact O-OE1 2.96Å; Q339-L355 HydrophobicContact CG-CD1 4.09Å
340M97.8Very high95.5Very high90 Ų9062 Ų6244%0.44333%0.333SS..Hα-helixtrans-62.7-38.4173.2-66.8-60.3-53.700112H336 S337 L338 E343 A344 V350H336-M340 WeakPolarHBondContact O-CG 3.26Å; H336-M340 PolarHBondContact O-N 3.36Å; S337-M340 PolarHBondContact O-N 2.67Å; L338-M340 VanDerWaalsContact C-N 3.33Å; L338-M340 PolarHBondContact O-N 2.94Å; M340-E343 WeakPolarHBondContact CE-OE2 3.42Å; M340-E343 PolarHBondContact O-N 3.18Å; M340-A344 PolarHBondContact O-N 2.64Å; M340-V350 HydrophobicContact CG-CG2 4.43Å; M340-V350 HydrophobicContact SD-CG2 3.57Å; M340-V350 VanDerWaalsContact SD-CG2 3.57Å
341R97.5Very high95.8Very high83 Ų8363.4 Ų63.431%0.31334%0.338SS..Hα-helixtrans-69.2-38.6175.6-65.3166.862.5-170.12.2111.6F327 K328 E333 S337 L338 Q339 E343 A344 E345F327-R341 HydrophobicContact CD1-CB 4.36Å; F327-R341 HydrophobicContact CE1-CB 4.17Å; K328-R341 PolarHBondContact O-NH1 3.37Å; K328-R341 PolarHBondContact O-NH2 3.47Å; E333-R341 WeakPolarHBondContact OE1-CD 3.36Å; E333-R341 IonicContact OE1-CZ 3.34Å; E333-R341 IonicContact OE1-NH1 2.76Å; E333-R341 PolarHBondContact OE1-NH1 3Å; E333-R341 IonicContact OE2-NH1 2.65Å; E333-R341 PolarHBondContact OE2-NH1 3.29Å; E333-R341 VanDerWaalsContact OE2-NH1 3.09Å; S337-R341 PolarHBondContact O-N 2.83Å; L338-R341 WeakPolarHBondContact O-CB 3.19Å; L338-R341 PolarHBondContact O-N 3.37Å; L338-R341 VanDerWaalsContact O-N 3.08Å; Q339-R341 VanDerWaalsContact C-N 3.32Å; Q339-R341 PolarHBondContact O-N 3.42Å; R341-E343 VanDerWaalsContact C-N 3.35Å; R341-A344 PolarHBondContact O-N 3.42Å; R341-E345 PolarHBondContact O-N 2.97Å
342I97.3Very high96.3Very high0 Ų060.8 Ų60.80%032%0.318CS..Hα-helixtrans-61.7-44.9173-65.6166.6000110.2I316 F327 L338 Q339 A344 E345 T346 L355 L388I316-I342 HydrophobicContact CD1-CD1 3.35Å; I316-I342 HydrophobicContact CD1-CG1 3.85Å; F327-I342 HydrophobicContact CE2-CG1 3.91Å; F327-I342 HydrophobicContact CZ-CG1 4.16Å; L338-I342 HydrophobicContact CD1-CD1 4.37Å; L338-I342 HydrophobicContact CD1-CG1 4.35Å; L338-I342 HydrophobicContact CG-CD1 3.96Å; L338-I342 HydrophobicContact CG-CG1 4.41Å; L338-I342 WeakPolarHBondContact O-CG1 3.48Å; L338-I342 PolarHBondContact O-N 2.83Å; Q339-I342 WeakPolarHBondContact O-CB 3.33Å; Q339-I342 PolarHBondContact O-N 2.8Å; I342-A344 VanDerWaalsContact C-N 3.32Å; I342-A344 PolarHBondContact O-N 2.93Å; I342-E345 PolarHBondContact O-N 2.97Å; I342-T346 HydrophobicContact CG2-CG2 3.98Å; I342-T346 WeakPolarHBondContact O-CB 3.47Å; I342-T346 WeakPolarHBondContact O-CG2 3.05Å; I342-T346 PolarHBondContact O-N 2.88Å; I342-T346 PolarHBondContact O-OG1 3.33Å; I342-L355 HydrophobicContact CD1-CD1 3.99Å; I342-L355 HydrophobicContact CD1-CD2 4.11Å; I342-L388 HydrophobicContact CG2-CD1 4.49Å; I342-L388 HydrophobicContact CG2-CD2 3.53Å
343E97.9Very high96.7Very high52 Ų5253.6 Ų53.624%0.24328%0.28CS..Hα-helixtrans-59.6-42.2177.2179.2176.9-145.700111.4Q339 M340 R341 E345 T346 K347 I348 E349 V350Q339-E343 WeakPolarHBondContact O-CB 3.34Å; Q339-E343 PolarHBondContact O-N 3.45Å; M340-E343 WeakPolarHBondContact CE-OE2 3.42Å; M340-E343 PolarHBondContact O-N 3.18Å; R341-E343 VanDerWaalsContact C-N 3.35Å; E343-E345 VanDerWaalsContact C-N 3.29Å; E343-E345 PolarHBondContact O-N 3.38Å; E343-T346 PolarHBondContact O-N 2.76Å; E343-K347 VanDerWaalsContact O-CA 3.26Å; E343-K347 WeakPolarHBondContact O-CA 3.38Å; E343-K347 PolarHBondContact O-N 3.49Å; E343-I348 WeakPolarHBondContact CB-O 3.37Å; E343-I348 WeakPolarHBondContact CG-O 3.36Å; E343-E349 WeakPolarHBondContact OE1-CA 3.5Å; E343-V350 HydrophobicContact CB-CG2 4.41Å
344A97.3Very high96.8Very high63 Ų6353.6 Ų53.652%0.52128%0.28SS..Hα-helixtrans-57.8-39.8178.800000112.9M340 R341 I342 K347M340-A344 PolarHBondContact O-N 2.64Å; R341-A344 PolarHBondContact O-N 3.42Å; I342-A344 VanDerWaalsContact C-N 3.32Å; I342-A344 PolarHBondContact O-N 2.93Å; A344-K347 PolarHBondContact O-NZ 2.74Å
345E95.2Very high96.9Very high88 Ų8851.1 Ų51.141%0.41126%0.262SS..Hα-helixtrans-86.9-34.5179.5-68.4-165.9-143.300113.9R267 F327 R341 I342 E343R267-E345 IonicContact CZ-OE1 3.71Å; R267-E345 IonicContact CZ-OE2 2.88Å; R267-E345 IonicContact NH1-OE1 2.59Å; R267-E345 IonicContact NH1-OE2 3.38Å; R267-E345 PolarHBondContact NH1-OE2 3Å; R267-E345 VanDerWaalsContact NH2-CD 3.3Å; R267-E345 IonicContact NH2-OE1 3.09Å; R267-E345 PolarHBondContact NH2-OE1 3.39Å; R267-E345 IonicContact NH2-OE2 3.35Å; R267-E345 PolarHBondContact NH2-OE2 2.71Å; F327-E345 HydrophobicContact CE1-CG 4.44Å; F327-E345 WeakPolarHBondContact CE1-OE1 3.32Å; F327-E345 HydrophobicContact CZ-CG 4.49Å; R341-E345 PolarHBondContact O-N 2.97Å; I342-E345 PolarHBondContact O-N 2.97Å; E343-E345 VanDerWaalsContact C-N 3.29Å; E343-E345 PolarHBondContact O-N 3.38Å
346T94.6Very high96.9Very high24 Ų2451 Ų5115%0.14726%0.261CS..Hα-helixtrans-99.6-20.5-172.761.40000114.6L325 I342 E343 I348 L388L325-T346 HydrophobicContact CD1-CG2 3.35Å; I342-T346 HydrophobicContact CG2-CG2 3.98Å; I342-T346 WeakPolarHBondContact O-CB 3.47Å; I342-T346 WeakPolarHBondContact O-CG2 3.05Å; I342-T346 PolarHBondContact O-N 2.88Å; I342-T346 PolarHBondContact O-OG1 3.33Å; E343-T346 PolarHBondContact O-N 2.76Å; T346-I348 PolarHBondContact O-N 2.72Å; T346-I348 PolarHBondContact OG1-N 3.43Å; T346-L388 HydrophobicContact CG2-CD2 3.89Å
347K95.6Very high96.8Very high164 Ų16447.7 Ų47.771%0.71325%0.246SC*.  trans6311.6-169-48-52.8-176.4-162.90114.8E343 A344E343-K347 VanDerWaalsContact O-CA 3.26Å; E343-K347 WeakPolarHBondContact O-CA 3.38Å; E343-K347 PolarHBondContact O-N 3.49Å; A344-K347 PolarHBondContact O-NZ 2.74Å
348I96.4Very high96.5Very high9 Ų947.7 Ų47.75%0.04624%0.24CC..  trans-83.9117.1172.5-58.8165.7000108.1E343 T346 N352 Q353 L388 D390E343-I348 WeakPolarHBondContact CB-O 3.37Å; E343-I348 WeakPolarHBondContact CG-O 3.36Å; T346-I348 PolarHBondContact O-N 2.72Å; T346-I348 PolarHBondContact OG1-N 3.43Å; I348-N352 HydrophobicContact CG2-CB 4.11Å; I348-Q353 HydrophobicContact CB-CG 4.24Å; I348-Q353 HydrophobicContact CG2-CG 3.73Å; I348-Q353 PolarHBondContact O-NE2 3.19Å; I348-L388 HydrophobicContact CD1-CD2 3.88Å; I348-L388 HydrophobicContact CD1-CG 4.21Å; I348-D390 HydrophobicContact CD1-CB 4.02Å; I348-D390 HydrophobicContact CG1-CB 4.28Å; I348-D390 HydrophobicContact CG2-CB 4.08Å
349E97.4Very high96.3Very high110 Ų11050.9 Ų50.951%0.51426%0.26SS..  trans-57.4143179.6-63.6-177.6171.900112E343 V351 N352 Q353E343-E349 WeakPolarHBondContact OE1-CA 3.5Å; E349-V351 HydrophobicContact CB-CG2 4.12Å; E349-V351 PolarHBondContact O-N 3.37Å; E349-N352 CarbonylContact O-C 3.56Å; E349-N352 WeakPolarHBondContact O-CA 3.27Å; E349-N352 PolarHBondContact O-N 3.3Å; E349-Q353 WeakPolarHBondContact O-CG 3.15Å; E349-Q353 PolarHBondContact O-N 2.96Å; E349-Q353 VanDerWaalsContact O-N 3.12Å
350V97.4Very high96.1Very high25 Ų2549.7 Ų49.715%0.15226%0.255CS..G310 helixtrans-51.5-38.6-176.7173.90000113.2Q339 M340 E343 N352 Q353Q339-V350 HydrophobicContact CB-CB 4.49Å; Q339-V350 HydrophobicContact CB-CG1 3.89Å; Q339-V350 HydrophobicContact CB-CG2 4.03Å; M340-V350 HydrophobicContact CG-CG2 4.43Å; M340-V350 HydrophobicContact SD-CG2 3.57Å; M340-V350 VanDerWaalsContact SD-CG2 3.57Å; E343-V350 HydrophobicContact CB-CG2 4.41Å; V350-N352 VanDerWaalsContact C-N 3.26Å; V350-N352 PolarHBondContact O-N 3.16Å; V350-Q353 PolarHBondContact O-N 2.85Å
351V96.3Very high95.9Very high102 Ų10248.1 Ų48.162%0.61825%0.25SS*.G310 helixtrans-64.5-32.2178.6-64.50000112.7E349 K391E349-V351 HydrophobicContact CB-CG2 4.12Å; E349-V351 PolarHBondContact O-N 3.37Å; V351-K391 PolarHBondContact O-NZ 3.3Å
352N96.8Very high95.8Very high41 Ų4146.6 Ų46.622%0.21925%0.252CS..G310 helixtrans-89.7-8.4-178.8-64.1-34000112.8I348 E349 V350 E354 K391I348-N352 HydrophobicContact CG2-CB 4.11Å; E349-N352 CarbonylContact O-C 3.56Å; E349-N352 WeakPolarHBondContact O-CA 3.27Å; E349-N352 PolarHBondContact O-N 3.3Å; V350-N352 VanDerWaalsContact C-N 3.26Å; V350-N352 PolarHBondContact O-N 3.16Å; N352-E354 PolarHBondContact O-N 3.1Å; N352-K391 WeakPolarHBondContact O-CG 3.24Å; N352-K391 PolarHBondContact O-N 2.9Å
353Q97.5Very high95.7Very high4 Ų447.2 Ų47.22%0.01926%0.256CS..EExtended strand (participates in β ladder)trans-74119.9175.8-65.1177.423.800110.9Q339 I348 E349 V350 L388 K391Q339-Q353 VanDerWaalsContact CB-OE1 3.3Å; Q339-Q353 PolarHBondContact O-NE2 3.28Å; Q339-Q353 PolarHBondContact O-OE1 2.96Å; I348-Q353 HydrophobicContact CB-CG 4.24Å; I348-Q353 HydrophobicContact CG2-CG 3.73Å; I348-Q353 PolarHBondContact O-NE2 3.19Å; E349-Q353 WeakPolarHBondContact O-CG 3.15Å; E349-Q353 PolarHBondContact O-N 2.96Å; E349-Q353 VanDerWaalsContact O-N 3.12Å; V350-Q353 PolarHBondContact O-N 2.85Å; Q353-L388 HydrophobicContact CB-CD1 3.88Å; Q353-L388 HydrophobicContact CG-CD1 3.97Å; Q353-K391 PolarHBondContact O-NZ 3.43Å
354E96.8Very high95.4Very high18 Ų1846.4 Ų46.48%0.08425%0.253CS..EExtended strand (participates in β ladder)trans-111.9111.4164.3177.6166.5-133.600110.1N352 L356 S362 F389 K391 K620N352-E354 PolarHBondContact O-N 3.1Å; E354-L356 HydrophobicContact CG-CD2 3.76Å; E354-L356 HydrophobicContact CG-CG 4.01Å; E354-S362 PolarHBondContact OE1-OG 3.22Å; E354-F389 HydrophobicContact CB-CB 4.21Å; E354-F389 PolarHBondContact N-O 3.06Å; E354-F389 PolarHBondContact O-N 3.33Å; E354-K391 HydrophobicContact CB-CG 4.07Å; E354-K620 IonicContact OE1-NZ 2.65Å; E354-K620 PolarHBondContact OE1-NZ 3.32Å; E354-K620 IonicContact OE2-NZ 2.78Å; E354-K620 PolarHBondContact OE2-NZ 3.26Å
355L97.7Very high95.2Very high8 Ų848.5 Ų48.54%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-100.1114.5178.5-66.4165.3000109.4I316 L335 Q339 I342 S362 L363 V386 Y387 L388I316-L355 HydrophobicContact CD1-CD2 4.39Å; I316-L355 HydrophobicContact CG2-CD2 4.03Å; L335-L355 HydrophobicContact CD1-CD1 4.12Å; Q339-L355 HydrophobicContact CG-CD1 4.09Å; I342-L355 HydrophobicContact CD1-CD1 3.99Å; I342-L355 HydrophobicContact CD1-CD2 4.11Å; L355-S362 VanDerWaalsContact O-CA 3.31Å; L355-S362 WeakPolarHBondContact O-CA 3.29Å; L355-L363 HydrophobicContact CB-CB 4.38Å; L355-L363 HydrophobicContact CB-CD1 3.54Å; L355-L363 HydrophobicContact CB-CG 3.84Å; L355-L363 HydrophobicContact CD1-CD1 3.87Å; L355-L363 HydrophobicContact CG-CD1 4.29Å; L355-L363 PolarHBondContact O-N 2.93Å; L355-V386 HydrophobicContact CB-CG1 3.94Å; L355-V386 HydrophobicContact CD2-CG1 3.95Å; L355-Y387 CarbonylContact C-O 3.49Å; L355-Y387 WeakPolarHBondContact CA-O 3.22Å; L355-L388 HydrophobicContact CD2-CB 3.93Å; L355-L388 HydrophobicContact CD2-CD1 3.78Å; L355-L388 HydrophobicContact CD2-CG 4.42Å; L355-L388 HydrophobicContact CG-CD1 4.32Å
356L96.8Very high95Very high1 Ų154.4 Ų54.41%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-109.5137.7180-59.4-173.8000111.4E354 S362 Y387 F389 A452E354-L356 HydrophobicContact CG-CD2 3.76Å; E354-L356 HydrophobicContact CG-CG 4.01Å; L356-S362 WeakPolarHBondContact CD2-OG 3.32Å; L356-Y387 PolarHBondContact N-O 3.39Å; L356-Y387 WeakPolarHBondContact O-CD2 3.35Å; L356-Y387 PolarHBondContact O-N 2.94Å; L356-F389 HydrophobicContact CB-CE2 4.3Å; L356-F389 HydrophobicContact CD1-CD2 3.77Å; L356-F389 HydrophobicContact CD1-CE2 3.63Å; L356-F389 HydrophobicContact CG-CD2 3.97Å; L356-F389 HydrophobicContact CG-CE2 4.09Å; L356-A452 HydrophobicContact CB-CB 4.46Å
357Q94Very high94.9Very high42 Ų4258.8 Ų58.820%0.19630%0.297CS..  trans-76.9167.9165.3-62.3-177.3-2900110.7T359 G360 V361 L363 Q371 Y384 A452Q357-T359 PolarHBondContact O-N 3.18Å; Q357-G360 WeakPolarHBondContact O-CA 3.48Å; Q357-G360 PolarHBondContact O-N 3.18Å; Q357-V361 PolarHBondContact N-O 3.14Å; Q357-L363 HydrophobicContact CG-CD2 3.71Å; Q357-Q371 PolarHBondContact NE2-O 3.29Å; Q357-Y384 PolarHBondContact NE2-OH 2.71Å; Q357-A452 WeakPolarHBondContact O-CB 3.41Å
358E91.1Very high94.8Very high50 Ų5054.1 Ų54.123%0.23428%0.283CS..THydrogen-bonded Turntrans-55-25.7173.6-66.4-172.3-176.400114.5G360 Y387E358-G360 PolarHBondContact O-N 3.36Å; E358-Y387 HydrophobicContact CB-CE2 4.42Å; E358-Y387 HydrophobicContact CG-CE2 3.83Å
359T92.4Very high94.6Very high68 Ų6853.7 Ų53.742%0.41728%0.281SS..THydrogen-bonded Turntrans-73-11.4175.160.50000112.2Q357 V361 L455 R459Q357-T359 PolarHBondContact O-N 3.18Å; T359-V361 VanDerWaalsContact C-N 3.3Å; T359-V361 WeakPolarHBondContact OG1-CG2 3.49Å; T359-V361 PolarHBondContact OG1-N 3.04Å; T359-L455 WeakPolarHBondContact O-CB 3.36Å; T359-L455 WeakPolarHBondContact O-CD1 3.49Å; T359-R459 PolarHBondContact O-NH1 2.7Å; T359-R459 PolarHBondContact O-NH2 3.36Å
360G94.3Very high94.2Very high1 Ų150.9 Ų50.91%0.0127%0.269CS..SBendtrans77.311-171.700000114.4Q357 E358 A452 S456 R459Q357-G360 WeakPolarHBondContact O-CA 3.48Å; Q357-G360 PolarHBondContact O-N 3.18Å; E358-G360 PolarHBondContact O-N 3.36Å; G360-A452 WeakPolarHBondContact CA-O 3.33Å; G360-S456 WeakPolarHBondContact O-CA 3.3Å; G360-S456 WeakPolarHBondContact O-CB 3.49Å; G360-R459 PolarHBondContact O-NH1 2.96Å
361V94.6Very high93.8Very high58 Ų5851.5 Ų51.535%0.35227%0.27SS..PPolyproline II helixtrans-81.9131.2173.8176.70000108.5Q357 T359Q357-V361 PolarHBondContact N-O 3.14Å; T359-V361 VanDerWaalsContact C-N 3.3Å; T359-V361 WeakPolarHBondContact OG1-CG2 3.49Å; T359-V361 PolarHBondContact OG1-N 3.04Å
362S94.6Very high93.2Very high50 Ų5046.8 Ų46.835%0.3524%0.242SC..BIsolated β-bridgetrans-72.3142.9172.6-46.80000110.5E354 L355 L356E354-S362 PolarHBondContact OE1-OG 3.22Å; L355-S362 VanDerWaalsContact O-CA 3.31Å; L355-S362 WeakPolarHBondContact O-CA 3.29Å; L356-S362 WeakPolarHBondContact CD2-OG 3.32Å
363L94.6Very high92.5Very high14 Ų1446 Ų467%0.07324%0.239CC..PPolyproline II helixtrans-60.6143.1176.5-61.9-176.3000111.7L335 L355 Q357 P365 Q371 C372 V386L335-L363 HydrophobicContact CD1-CD1 3.82Å; L335-L363 HydrophobicContact CD2-CB 3.79Å; L355-L363 HydrophobicContact CB-CB 4.38Å; L355-L363 HydrophobicContact CB-CD1 3.54Å; L355-L363 HydrophobicContact CB-CG 3.84Å; L355-L363 HydrophobicContact CD1-CD1 3.87Å; L355-L363 HydrophobicContact CG-CD1 4.29Å; L355-L363 PolarHBondContact O-N 2.93Å; Q357-L363 HydrophobicContact CG-CD2 3.71Å; L363-P365 WeakPolarHBondContact O-CD 3.43Å; L363-Q371 HydrophobicContact CD2-CG 4.12Å; L363-C372 WeakPolarHBondContact CD1-SG 3.14Å; L363-V386 HydrophobicContact CD1-CG1 4.2Å
364D92.6Very high91.2Very high34 Ų3447.3 Ų47.318%0.18225%0.247CC..PPolyproline II helixtrans-83.7116.6-178.9-171.1-22.9000109.9R366 K367 Q371D364-R366 PolarHBondContact O-N 3.37Å; D364-R366 VanDerWaalsContact O-N 3.08Å; D364-R366 VanDerWaalsContact OD1-CB 3.3Å; D364-R366 WeakPolarHBondContact OD1-CB 3.4Å; D364-R366 IonicContact OD1-CZ 2.66Å; D364-R366 PolarHBondContact OD1-N 2.85Å; D364-R366 IonicContact OD1-NE 2.72Å; D364-R366 PolarHBondContact OD1-NE 3.45Å; D364-R366 IonicContact OD1-NH2 3.41Å; D364-R366 IonicContact OD2-CZ 2.91Å; D364-R366 IonicContact OD2-NE 2.73Å; D364-R366 PolarHBondContact OD2-NE 3.24Å; D364-R366 IonicContact OD2-NH2 3.7Å; D364-R366 PolarHBondContact OD2-NH2 3.48Å; D364-K367 HydrophobicContact CB-CB 4.26Å; D364-K367 HydrophobicContact CB-CD 4.04Å; D364-K367 HydrophobicContact CB-CG 4.01Å; D364-K367 PolarHBondContact O-N 3.41Å; D364-K367 VanDerWaalsContact O-N 3.07Å; D364-Q371 PolarHBondContact O-NE2 3.34Å
365P91.9Very high89.8Confident107 Ų10755.2 Ų55.270%0.69529%0.289SS*.THydrogen-bonded Turntrans-60.9-19.3179.4-2334.9000114.5L363L363-P365 WeakPolarHBondContact O-CD 3.43Å
366R91.9Very high88.1Confident213 Ų21360.8 Ų60.880%0.80432%0.319SS*.THydrogen-bonded Turntrans-84.7-13.3-179.6-56.4167.3-64.6-179.74.9112.7D364D364-R366 PolarHBondContact O-N 3.37Å; D364-R366 VanDerWaalsContact O-N 3.08Å; D364-R366 VanDerWaalsContact OD1-CB 3.3Å; D364-R366 WeakPolarHBondContact OD1-CB 3.4Å; D364-R366 IonicContact OD1-CZ 2.66Å; D364-R366 PolarHBondContact OD1-N 2.85Å; D364-R366 IonicContact OD1-NE 2.72Å; D364-R366 PolarHBondContact OD1-NE 3.45Å; D364-R366 IonicContact OD1-NH2 3.41Å; D364-R366 IonicContact OD2-CZ 2.91Å; D364-R366 IonicContact OD2-NE 2.73Å; D364-R366 PolarHBondContact OD2-NE 3.24Å; D364-R366 IonicContact OD2-NH2 3.7Å; D364-R366 PolarHBondContact OD2-NH2 3.48Å
367K92.6Very high86.1Confident116 Ų11662.5 Ų62.550%0.50434%0.337SS..SBendtrans-95.8152.8178.7-69.9-175-176-1780110.7D364 Q371D364-K367 HydrophobicContact CB-CB 4.26Å; D364-K367 HydrophobicContact CB-CD 4.04Å; D364-K367 HydrophobicContact CB-CG 4.01Å; D364-K367 PolarHBondContact O-N 3.41Å; D364-K367 VanDerWaalsContact O-N 3.07Å; K367-Q371 HydrophobicContact CB-CB 4.43Å; K367-Q371 PolarHBondContact O-NE2 3.18Å
368P92.8Very high84.4Confident65 Ų6563.5 Ų63.542%0.42234%0.343SS..BIsolated β-bridgetrans-62.9163.3174.527.9-35.6000111.5N370 Q371P368-N370 PolarHBondContact O-N 2.9Å; P368-Q371 VanDerWaalsContact O-CG 3.27Å; P368-Q371 WeakPolarHBondContact O-CG 3.34Å; P368-Q371 PolarHBondContact O-N 2.89Å; P368-Q371 PolarHBondContact O-NE2 2.64Å
369A92.8Very high83.1Confident0 Ų066.3 Ų66.30%035%0.351CS..G310 helixtrans-59.2-26.6178.100000112.5L329 E333 L338 Q371 C372L329-A369 HydrophobicContact CD1-CB 4.08Å; L329-A369 HydrophobicContact CD2-CB 4Å; E333-A369 HydrophobicContact CB-CB 4.32Å; E333-A369 HydrophobicContact CG-CB 4.33Å; E333-A369 WeakPolarHBondContact O-CB 3.27Å; E333-A369 PolarHBondContact O-N 2.79Å; L338-A369 HydrophobicContact CB-CB 4.1Å; L338-A369 HydrophobicContact CD2-CB 4.04Å; A369-Q371 PolarHBondContact O-N 3.28Å; A369-C372 WeakPolarHBondContact O-CB 3.25Å; A369-C372 PolarHBondContact O-N 2.86Å; A369-C372 PolarHBondContact O-SG 2.8Å
370N88.6Confident81.7Confident51 Ų5163.1 Ų63.127%0.27333%0.331SS..G310 helixtrans-58.9-14.5177-75.68.9000114.5P331 P368 C372 V373P331-N370 PolarHBondContact O-ND2 3.05Å; P368-N370 PolarHBondContact O-N 2.9Å; N370-C372 PolarHBondContact O-N 3.44Å; N370-C372 VanDerWaalsContact O-N 3.12Å; N370-V373 PolarHBondContact O-N 2.88Å
371Q89.3Confident80.7Confident38 Ų3865 Ų6518%0.17834%0.338CS..G310 helixtrans-59.4-18.2169.273.7-177.9-65.400113.6Q357 L363 D364 K367 P368 A369 V373Q357-Q371 PolarHBondContact NE2-O 3.29Å; L363-Q371 HydrophobicContact CD2-CG 4.12Å; D364-Q371 PolarHBondContact O-NE2 3.34Å; K367-Q371 HydrophobicContact CB-CB 4.43Å; K367-Q371 PolarHBondContact O-NE2 3.18Å; P368-Q371 VanDerWaalsContact O-CG 3.27Å; P368-Q371 WeakPolarHBondContact O-CG 3.34Å; P368-Q371 PolarHBondContact O-N 2.89Å; P368-Q371 PolarHBondContact O-NE2 2.64Å; A369-Q371 PolarHBondContact O-N 3.28Å; Q371-V373 VanDerWaalsContact C-N 3.28Å
372C83.5Confident80Confident3 Ų364.5 Ų64.52%0.0233%0.334CS..G310 helixtrans-83.4-4.2177.2-48.90000113V314 L363 A369 N370 Y384 V386V314-C372 HydrophobicContact CB-CB 4.04Å; V314-C372 HydrophobicContact CG2-CB 3.34Å; L363-C372 WeakPolarHBondContact CD1-SG 3.14Å; A369-C372 WeakPolarHBondContact O-CB 3.25Å; A369-C372 PolarHBondContact O-N 2.86Å; A369-C372 PolarHBondContact O-SG 2.8Å; N370-C372 PolarHBondContact O-N 3.44Å; N370-C372 VanDerWaalsContact O-N 3.12Å; C372-Y384 WeakPolarHBondContact O-CE1 3.48Å; C372-V386 HydrophobicContact CB-CG2 3.97Å
373V82.5Confident79.2Confident26 Ų2665.9 Ų65.916%0.15834%0.335CS..SBendtrans-111.8133.3-178.4-176.30000108.1S312 V314 L329 N370 Q371S312-V373 WeakPolarHBondContact OG-CG2 3.33Å; V314-V373 HydrophobicContact CB-CG2 4.44Å; L329-V373 HydrophobicContact CD1-CG2 3.8Å; N370-V373 PolarHBondContact O-N 2.88Å; Q371-V373 VanDerWaalsContact C-N 3.28Å
374P71Confident78.6Confident30 Ų3067.7 Ų67.720%0.19534%0.341CS..  trans-56.7146.2176.5-24.434000112D376 G377 R379 Y384P374-D376 PolarHBondContact O-N 3.49Å; P374-D376 VanDerWaalsContact O-N 3.11Å; P374-G377 PolarHBondContact O-N 3.26Å; P374-R379 HydrophobicContact CG-CB 4.28Å; P374-R379 HydrophobicContact CG-CG 4.35Å; P374-Y384 HydrophobicContact CG-CD1 3.88Å; P374-Y384 HydrophobicContact CG-CD2 3.96Å; P374-Y384 HydrophobicContact CG-CG 3.53Å
375L65.9Low78.6Confident185 Ų18566.2 Ų66.297%0.96933%0.333SS*.THydrogen-bonded Turntrans-57-27.4179.4-74.5160.6000113.6G377L375-G377 VanDerWaalsContact C-N 3.32Å
376D62.9Low78.7Confident124 Ų12461.1 Ų61.166%0.66330%0.3SS*.THydrogen-bonded Turntrans-82.9-2.8179.9-68-23.3000113.9P374 M378P374-D376 PolarHBondContact O-N 3.49Å; P374-D376 VanDerWaalsContact O-N 3.11Å; D376-M378 PolarHBondContact O-N 3.35Å
377G54Low79Confident38 Ų3851 Ų5139%0.39226%0.262SS..  trans66.3-25.8170.200000117.8P374 L375P374-G377 PolarHBondContact O-N 3.26Å; L375-G377 VanDerWaalsContact C-N 3.32Å
378M57.9Low79.2Confident63 Ų6345.5 Ų45.531%0.3124%0.238SC..  trans-108.763.7-167.8-63-72158.700111.5L309 D376L309-M378 HydrophobicContact CB-CE 4.16Å; L309-M378 HydrophobicContact CB-SD 4.38Å; L309-M378 HydrophobicContact CD2-SD 4.46Å; L309-M378 WeakPolarHBondContact O-CE 3.48Å; D376-M378 PolarHBondContact O-N 3.35Å
379R65.4Low79.4Confident109 Ų10942.5 Ų42.541%0.41122%0.218SC..  trans-133.8123179-63.8-157.1175.5-115.76.7110.2P374 E383P374-R379 HydrophobicContact CG-CB 4.28Å; P374-R379 HydrophobicContact CG-CG 4.35Å; R379-E383 HydrophobicContact CB-CB 4.03Å; R379-E383 WeakPolarHBondContact CB-OE2 3.27Å; R379-E383 WeakPolarHBondContact CD-OE2 3.12Å; R379-E383 HydrophobicContact CG-CB 4.4Å; R379-E383 WeakPolarHBondContact CG-OE2 3.41Å; R379-E383 IonicContact CZ-OE2 2.7Å; R379-E383 IonicContact NE-OE2 2.78Å; R379-E383 PolarHBondContact NE-OE2 2.89Å; R379-E383 VanDerWaalsContact NH1-CD 3.32Å; R379-E383 IonicContact NH1-OE1 3.1Å; R379-E383 IonicContact NH1-OE2 3.81Å; R379-E383 PolarHBondContact NH1-OE2 3.22Å
380G61.9Low79.6Confident0 Ų043.5 Ų43.50%022%0.223CC..  trans-69.5169.9171.800000111.8E119 D382 E383E119-G380 VanDerWaalsContact OE1-CA 3.3Å; E119-G380 WeakPolarHBondContact OE1-CA 3.3Å; G380-D382 PolarHBondContact O-N 2.87Å; G380-E383 PolarHBondContact O-N 2.76Å
381W74.2Confident79.8Confident40 Ų4046 Ų4615%0.15223%0.232CC..THydrogen-bonded Turntrans-58.7-15.5178.371.9-78.5000115E119 N264 H315 V324 E383E119-W381 PolarHBondContact OE1-N 3.3Å; N264-W381 PolarHBondContact O-NE1 3.18Å; H315-W381 HydrophobicContact CB-CB 3.85Å; H315-W381 VanDerWaalsContact CD2-CA 3.4Å; H315-W381 WeakPolarHBondContact CD2-CA 3.4Å; H315-W381 VanDerWaalsContact CD2-CB 3.45Å; H315-W381 WeakPolarHBondContact CD2-CB 3.38Å; V324-W381 HydrophobicContact CG1-CE3 4.25Å; V324-W381 HydrophobicContact CG2-CE3 4.17Å; V324-W381 HydrophobicContact CG2-CZ3 4.07Å; W381-E383 VanDerWaalsContact C-N 3.32Å
382D79.2Confident80Confident48 Ų4847.7 Ų47.726%0.25725%0.248SC..THydrogen-bonded Turntrans-79.6-9.1175.762.2-63.9000114.2K118 S120 G380K118-D382 WeakPolarHBondContact CB-OD2 3.41Å; K118-D382 HydrophobicContact CD-CB 4.47Å; S120-D382 WeakPolarHBondContact CB-OD1 3.28Å; S120-D382 WeakPolarHBondContact CB-OD2 3.48Å; S120-D382 PolarHBondContact N-OD1 2.91Å; S120-D382 VanDerWaalsContact N-OD1 3.1Å; S120-D382 PolarHBondContact OG-OD1 3.01Å; S120-D382 PolarHBondContact OG-OD2 3.28Å; G380-D382 PolarHBondContact O-N 2.87Å
383E77.3Confident80.5Confident80 Ų8050.3 Ų50.337%0.37426%0.261SS..THydrogen-bonded Turntrans-113.2-32.3179.9-67.8-163155.600115.4R379 G380 W381R379-E383 HydrophobicContact CB-CB 4.03Å; R379-E383 WeakPolarHBondContact CB-OE2 3.27Å; R379-E383 WeakPolarHBondContact CD-OE2 3.12Å; R379-E383 HydrophobicContact CG-CB 4.4Å; R379-E383 WeakPolarHBondContact CG-OE2 3.41Å; R379-E383 IonicContact CZ-OE2 2.7Å; R379-E383 IonicContact NE-OE2 2.78Å; R379-E383 PolarHBondContact NE-OE2 2.89Å; R379-E383 VanDerWaalsContact NH1-CD 3.32Å; R379-E383 IonicContact NH1-OE1 3.1Å; R379-E383 IonicContact NH1-OE2 3.81Å; R379-E383 PolarHBondContact NH1-OE2 3.22Å; G380-E383 PolarHBondContact O-N 2.76Å; W381-E383 VanDerWaalsContact C-N 3.32Å
384Y83.4Confident80.7Confident52 Ų5251.5 Ų51.520%0.20427%0.269CS..  trans-144.7128.6179.2-171.3-90.2000111.5Q357 C372 P374 V386Q357-Y384 PolarHBondContact NE2-OH 2.71Å; C372-Y384 WeakPolarHBondContact O-CE1 3.48Å; P374-Y384 HydrophobicContact CG-CD1 3.88Å; P374-Y384 HydrophobicContact CG-CD2 3.96Å; P374-Y384 HydrophobicContact CG-CG 3.53Å; Y384-V386 HydrophobicContact CE1-CG2 4.2Å
385I91.3Very high81.6Confident3 Ų355.4 Ų55.42%0.01529%0.288CS..  trans-142.3144.5-178.8-160.4161.6000111.5H315 L317 V324 Y387H315-I385 HydrophobicContact CB-CG1 4.18Å; H315-I385 WeakPolarHBondContact O-CG1 3.49Å; L317-I385 HydrophobicContact CB-CD1 3.69Å; L317-I385 HydrophobicContact CB-CG1 4.1Å; V324-I385 HydrophobicContact CG1-CD1 4.04Å; V324-I385 HydrophobicContact CG2-CD1 3.97Å; I385-Y387 HydrophobicContact CG2-CD1 4.44Å; I385-Y387 HydrophobicContact CG2-CE1 3.6Å; I385-Y387 HydrophobicContact CG2-CE2 4.21Å; I385-Y387 VanDerWaalsContact CG2-CZ 3.45Å; I385-Y387 VanDerWaalsContact CG2-OH 3.3Å; I385-Y387 WeakPolarHBondContact CG2-OH 3.36Å
386V95.4Very high82.5Confident0 Ų047.1 Ų47.10%024%0.244CC..EExtended strand (participates in β ladder)trans-96.8141.3171.2176.80000109V314 H315 I316 L317 L355 L363 C372 Y384V314-V386 HydrophobicContact CG2-CG2 4.32Å; H315-V386 PolarHBondContact O-N 2.68Å; I316-V386 CarbonylContact C-O 3.59Å; I316-V386 VanDerWaalsContact CA-O 3.25Å; I316-V386 WeakPolarHBondContact CA-O 3.46Å; I316-V386 HydrophobicContact CG1-CB 4.4Å; L317-V386 PolarHBondContact N-O 3.29Å; L355-V386 HydrophobicContact CB-CG1 3.94Å; L355-V386 HydrophobicContact CD2-CG1 3.95Å; L363-V386 HydrophobicContact CD1-CG1 4.2Å; C372-V386 HydrophobicContact CB-CG2 3.97Å; Y384-V386 HydrophobicContact CE1-CG2 4.2Å
387Y97.4Very high82.9Confident0 Ų046.1 Ų46.10%025%0.247CC..EExtended strand (participates in β ladder)trans-103.5123-179.6-53-78.2000110.3L317 M319 L355 L356 E358 I385 R445 Q448 G449 A452L317-Y387 HydrophobicContact CB-CD1 4.05Å; L317-Y387 HydrophobicContact CB-CE1 4.48Å; L317-Y387 HydrophobicContact CD2-CD1 3.9Å; L317-Y387 HydrophobicContact CD2-CE1 3.9Å; L317-Y387 HydrophobicContact CG-CD1 4.42Å; M319-Y387 HydrophobicContact SD-CD1 3.87Å; L355-Y387 CarbonylContact C-O 3.49Å; L355-Y387 WeakPolarHBondContact CA-O 3.22Å; L356-Y387 PolarHBondContact N-O 3.39Å; L356-Y387 WeakPolarHBondContact O-CD2 3.35Å; L356-Y387 PolarHBondContact O-N 2.94Å; E358-Y387 HydrophobicContact CB-CE2 4.42Å; E358-Y387 HydrophobicContact CG-CE2 3.83Å; I385-Y387 HydrophobicContact CG2-CD1 4.44Å; I385-Y387 HydrophobicContact CG2-CE1 3.6Å; I385-Y387 HydrophobicContact CG2-CE2 4.21Å; I385-Y387 VanDerWaalsContact CG2-CZ 3.45Å; I385-Y387 VanDerWaalsContact CG2-OH 3.3Å; I385-Y387 WeakPolarHBondContact CG2-OH 3.36Å; Y387-R445 WeakPolarHBondContact CE1-O 3.46Å; Y387-Q448 HydrophobicContact CE1-CB 4.38Å; Y387-Q448 WeakPolarHBondContact OH-CB 3.36Å; Y387-Q448 PolarHBondContact OH-OE1 3.09Å; Y387-G449 VanDerWaalsContact CE1-CA 3.43Å; Y387-A452 HydrophobicContact CD2-CB 3.77Å; Y387-A452 HydrophobicContact CE2-CB 4.08Å
388L97.6Very high83.4Confident0 Ų046.2 Ų46.20%025%0.248CC..EExtended strand (participates in β ladder)trans-95122.5175.3172.165.7000110I316 L317 N318 M319 I342 T346 I348 Q353 L355I316-L388 HydrophobicContact CG2-CB 3.65Å; L317-L388 PolarHBondContact O-N 3.49Å; N318-L388 HydrophobicContact CB-CD2 4.49Å; M319-L388 VanDerWaalsContact CB-O 3.3Å; M319-L388 WeakPolarHBondContact CB-O 3.34Å; M319-L388 WeakPolarHBondContact CG-O 3.35Å; M319-L388 PolarHBondContact N-O 2.84Å; I342-L388 HydrophobicContact CG2-CD1 4.49Å; I342-L388 HydrophobicContact CG2-CD2 3.53Å; T346-L388 HydrophobicContact CG2-CD2 3.89Å; I348-L388 HydrophobicContact CD1-CD2 3.88Å; I348-L388 HydrophobicContact CD1-CG 4.21Å; Q353-L388 HydrophobicContact CB-CD1 3.88Å; Q353-L388 HydrophobicContact CG-CD1 3.97Å; L355-L388 HydrophobicContact CD2-CB 3.93Å; L355-L388 HydrophobicContact CD2-CD1 3.78Å; L355-L388 HydrophobicContact CD2-CG 4.42Å; L355-L388 HydrophobicContact CG-CD1 4.32Å
389F96.9Very high83.2Confident2 Ų249.8 Ų49.81%0.00928%0.275CS..EExtended strand (participates in β ladder)trans-112.7148.6170.4-64.6-87.9000110.1M319 E354 L356 G449 A453 L613 L617M319-F389 HydrophobicContact CB-CD1 3.93Å; M319-F389 HydrophobicContact CB-CE1 3.74Å; M319-F389 HydrophobicContact CB-CZ 4.23Å; M319-F389 HydrophobicContact CE-CE1 4.35Å; M319-F389 HydrophobicContact CE-CZ 4.32Å; M319-F389 HydrophobicContact CG-CD1 4.1Å; M319-F389 HydrophobicContact CG-CD2 4.43Å; M319-F389 HydrophobicContact CG-CE1 3.6Å; M319-F389 HydrophobicContact CG-CE2 3.99Å; M319-F389 HydrophobicContact CG-CG 4.49Å; M319-F389 HydrophobicContact CG-CZ 3.55Å; M319-F389 HydrophobicContact SD-CZ 4.43Å; E354-F389 HydrophobicContact CB-CB 4.21Å; E354-F389 PolarHBondContact N-O 3.06Å; E354-F389 PolarHBondContact O-N 3.33Å; L356-F389 HydrophobicContact CB-CE2 4.3Å; L356-F389 HydrophobicContact CD1-CD2 3.77Å; L356-F389 HydrophobicContact CD1-CE2 3.63Å; L356-F389 HydrophobicContact CG-CD2 3.97Å; L356-F389 HydrophobicContact CG-CE2 4.09Å; F389-G449 WeakPolarHBondContact CZ-O 3.37Å; F389-A453 HydrophobicContact CE1-CB 4Å; F389-A453 HydrophobicContact CE2-CB 4.35Å; F389-A453 HydrophobicContact CZ-CB 3.71Å; F389-L613 HydrophobicContact CE1-CD1 3.81Å; F389-L613 HydrophobicContact CE1-CD2 4.08Å; F389-L613 HydrophobicContact CE1-CG 4.49Å; F389-L617 HydrophobicContact CD1-CD1 4.28Å; F389-L617 HydrophobicContact CD1-CD2 4.16Å
390D95.6Very high83.6Confident21 Ų2146.5 Ų46.511%0.11227%0.266CS..EExtended strand (participates in β ladder)trans-103.2114.3175.9-178.9-9.8000108.6I348 S392 I393 Y396I348-D390 HydrophobicContact CD1-CB 4.02Å; I348-D390 HydrophobicContact CG1-CB 4.28Å; I348-D390 HydrophobicContact CG2-CB 4.08Å; D390-S392 PolarHBondContact O-N 2.94Å; D390-S392 VanDerWaalsContact OD1-CB 3.29Å; D390-S392 WeakPolarHBondContact OD1-CB 3.26Å; D390-S392 PolarHBondContact OD1-N 2.8Å; D390-S392 PolarHBondContact OD1-OG 3.26Å; D390-S392 PolarHBondContact OD2-OG 3.37Å; D390-I393 HydrophobicContact CB-CD1 4.17Å; D390-I393 HydrophobicContact CB-CG1 3.82Å; D390-I393 PolarHBondContact O-N 2.8Å; D390-I393 VanDerWaalsContact O-O 3.08Å; D390-Y396 PolarHBondContact N-OH 3.38Å
391K94.1Very high84.2Confident103 Ų10350.7 Ų50.745%0.44829%0.288SS..THydrogen-bonded Turntrans-67.5-19.1-179.1-62.4174.6-161.5157.30113V351 N352 Q353 E354 I393V351-K391 PolarHBondContact O-NZ 3.3Å; N352-K391 WeakPolarHBondContact O-CG 3.24Å; N352-K391 PolarHBondContact O-N 2.9Å; Q353-K391 PolarHBondContact O-NZ 3.43Å; E354-K391 HydrophobicContact CB-CG 4.07Å; K391-I393 PolarHBondContact O-N 3.32Å
392S93.2Very high84.2Confident75 Ų7552.5 Ų52.552%0.52431%0.312SS..THydrogen-bonded Turntrans-75.4-14.4-179.2730000113D390D390-S392 PolarHBondContact O-N 2.94Å; D390-S392 VanDerWaalsContact OD1-CB 3.29Å; D390-S392 WeakPolarHBondContact OD1-CB 3.26Å; D390-S392 PolarHBondContact OD1-N 2.8Å; D390-S392 PolarHBondContact OD1-OG 3.26Å; D390-S392 PolarHBondContact OD2-OG 3.37Å
393I92.5Very high84.6Confident57 Ų5753.8 Ų53.829%0.29231%0.313SS..  trans-127.1138.4-178.559.8170.6000111.5T320 D390 K391 Y396T320-I393 HydrophobicContact CG2-CD1 3.71Å; D390-I393 HydrophobicContact CB-CD1 4.17Å; D390-I393 HydrophobicContact CB-CG1 3.82Å; D390-I393 PolarHBondContact O-N 2.8Å; D390-I393 VanDerWaalsContact O-O 3.08Å; K391-I393 PolarHBondContact O-N 3.32Å; I393-Y396 HydrophobicContact CD1-CD2 4.45Å; I393-Y396 HydrophobicContact CD1-CE1 4.47Å; I393-Y396 HydrophobicContact CD1-CE2 3.92Å; I393-Y396 HydrophobicContact CG1-CE2 3.88Å
394T87.8Confident85Confident51 Ų5158.2 Ų58.231%0.31333%0.333SS..  trans-112.3-15.1173.153.40000112.4S614 Q621T394-S614 WeakPolarHBondContact O-CA 3.46Å; T394-S614 VanDerWaalsContact O-CB 3.27Å; T394-S614 WeakPolarHBondContact O-CB 3.5Å; T394-Q621 HydrophobicContact CG2-CB 4.11Å
395N89.3Confident85.2Confident112 Ų11257.8 Ų57.860%0.59933%0.334SS*.  trans-108.6118.7-179.1-170.818.2000110.9
396Y85.9Confident85Confident12 Ų1259 Ų595%0.04734%0.343CS..  trans-111.1102.2179.1-74.4-121.7000107.7M319 T320 D390 I393 Y610 L613 S614 L617M319-Y396 HydrophobicContact CB-CE1 4.28Å; M319-Y396 WeakPolarHBondContact O-CD1 3.42Å; M319-Y396 WeakPolarHBondContact O-CE1 3.3Å; T320-Y396 HydrophobicContact CG2-CE1 4.48Å; T320-Y396 WeakPolarHBondContact OG1-CE1 3.33Å; T320-Y396 PolarHBondContact OG1-OH 2.84Å; D390-Y396 PolarHBondContact N-OH 3.38Å; I393-Y396 HydrophobicContact CD1-CD2 4.45Å; I393-Y396 HydrophobicContact CD1-CE1 4.47Å; I393-Y396 HydrophobicContact CD1-CE2 3.92Å; I393-Y396 HydrophobicContact CG1-CE2 3.88Å; Y396-Y610 VanDerWaalsContact CB-CD1 3.48Å; Y396-Y610 AromaticContact CD1-CD1 3.88Å; Y396-Y610 HydrophobicContact CD1-CD1 3.88Å; Y396-Y610 AromaticContact CD1-CE1 3.75Å; Y396-Y610 HydrophobicContact CD1-CE1 3.75Å; Y396-Y610 HydrophobicContact CG-CD1 4.06Å; Y396-Y610 HydrophobicContact CG-CE1 4.4Å; Y396-L613 HydrophobicContact CD1-CD2 4.34Å; Y396-S614 PolarHBondContact N-OG 3.34Å; Y396-L617 HydrophobicContact CD2-CD1 3.74Å; Y396-L617 HydrophobicContact CE2-CD1 3.17Å
397S70.9Confident84.7Confident103 Ų10365.3 Ų65.372%0.7238%0.376SS*.  trans-116.3-0.5-17659.30000114.6
398G64.3Low84.2Confident40 Ų4071.1 Ų71.141%0.41240%0.398SS..  trans73.1-175.4-175.300000114.2
399P53.4Low83.9Confident137 Ų13771.1 Ų71.189%0.8940%0.398SS*.  cis-76.31399.830.3-33.3000112.9
400L74.9Confident83.7Confident41 Ų4173.7 Ų73.722%0.21541%0.412CS..  trans-88.2152173.9-57.6158.5000108.6T320 A322 A402 Y610T320-L400 WeakPolarHBondContact O-CD2 3.39Å; A322-L400 HydrophobicContact CB-CB 4.15Å; A322-L400 HydrophobicContact CB-CD2 4.23Å; L400-A402 PolarHBondContact O-N 3.47Å; L400-Y610 HydrophobicContact CD1-CD2 3.49Å; L400-Y610 VanDerWaalsContact CD1-CD2 3.49Å; L400-Y610 HydrophobicContact CD1-CE2 3.03Å; L400-Y610 HydrophobicContact CD1-CG 4.46Å; L400-Y610 HydrophobicContact CD2-CE1 4.12Å; L400-Y610 HydrophobicContact CD2-CE2 3.9Å; L400-Y610 WeakPolarHBondContact CD2-OH 3.35Å; L400-Y610 HydrophobicContact CG-CE2 4.05Å
401N73.6Confident83.4Confident87 Ų8777.4 Ų77.447%0.46543%0.432SS..  trans-67.8112.4176.8-74-56.5000110T321 Q323T321-N401 PolarHBondContact O-N 2.97Å; Q323-N401 HydrophobicContact CG-CB 3.92Å; Q323-N401 PolarHBondContact NE2-ND2 3.3Å
402A75Confident83.4Confident79 Ų7972.9 Ų72.965%0.65341%0.413SS*.PPolyproline II helixtrans-74.2145.317500000110.3L400 H404L400-A402 PolarHBondContact O-N 3.47Å; A402-H404 PolarHBondContact O-N 3.11Å
403R86.1Confident83.3Confident75 Ų7571.6 Ų71.628%0.28340%0.401SS..PPolyproline II helixtrans-59.1127.4168.6-178.8176.8-73.1-97.3-4.3108.7L405 Y435 L439 D442R403-L405 PolarHBondContact O-N 3.21Å; R403-Y435 HydrophobicContact CB-CE2 4.03Å; R403-Y435 HydrophobicContact CG-CD2 3.92Å; R403-Y435 HydrophobicContact CG-CE2 3.74Å; R403-L439 HydrophobicContact CB-CD2 4.06Å; R403-D442 IonicContact CZ-OD1 2.82Å; R403-D442 IonicContact CZ-OD2 3.31Å; R403-D442 VanDerWaalsContact CZ-OD2 3.28Å; R403-D442 IonicContact NE-OD2 2.97Å; R403-D442 PolarHBondContact NE-OD2 2.86Å; R403-D442 VanDerWaalsContact NH2-CG 3.27Å; R403-D442 IonicContact NH2-OD1 2.61Å; R403-D442 PolarHBondContact NH2-OD1 3.45Å; R403-D442 IonicContact NH2-OD2 2.72Å; R403-D442 PolarHBondContact NH2-OD2 2.8Å
404H85.9Confident83.3Confident172 Ų17275.7 Ų75.780%0.79642%0.419SS*.PPolyproline II helixtrans-68.9134176.9-68.5-69000110.7A402A402-H404 PolarHBondContact O-N 3.11Å
405L87.2Confident83.4Confident43 Ų4377.2 Ų77.223%0.22543%0.426CS..PPolyproline II helixtrans-74.8127.2173.1-167.269.7000108.5R403 V409 N410 V413 Y435 I595R403-L405 PolarHBondContact O-N 3.21Å; L405-V409 HydrophobicContact CD1-CB 4.07Å; L405-V409 HydrophobicContact CD1-CG1 3.56Å; L405-V409 HydrophobicContact CD2-CG1 4.27Å; L405-V409 HydrophobicContact CG-CB 4.04Å; L405-V409 HydrophobicContact CG-CG1 3.96Å; L405-N410 HydrophobicContact CD2-CB 3.96Å; L405-N410 HydrophobicContact CG-CB 4.44Å; L405-V413 HydrophobicContact CD2-CB 4.43Å; L405-V413 HydrophobicContact CD2-CG2 4.03Å; L405-Y435 HydrophobicContact CB-CE2 4.43Å; L405-Y435 HydrophobicContact CD1-CD1 3.69Å; L405-Y435 HydrophobicContact CD1-CD2 3.94Å; L405-Y435 HydrophobicContact CD1-CE1 3.63Å; L405-Y435 HydrophobicContact CD1-CE2 3.89Å; L405-Y435 HydrophobicContact CD1-CG 3.84Å; L405-I595 HydrophobicContact CD1-CG2 4.5Å
406P88.9Confident83.5Confident30 Ų3073.6 Ų73.620%0.19541%0.409CS..PPolyproline II helixtrans-57.8144176.5-23.632.9000111.8R408 V409 N410P406-R408 VanDerWaalsContact C-N 3.26Å; P406-R408 PolarHBondContact O-N 3.47Å; P406-R408 VanDerWaalsContact O-N 3.16Å; P406-V409 HydrophobicContact CB-CB 4.43Å; P406-V409 HydrophobicContact CB-CG2 4.06Å; P406-V409 HydrophobicContact CG-CG2 4.15Å; P406-V409 CarbonylContact O-C 3.59Å; P406-V409 WeakPolarHBondContact O-CA 3.27Å; P406-V409 WeakPolarHBondContact O-CB 3.02Å; P406-V409 PolarHBondContact O-N 3.21Å; P406-N410 PolarHBondContact O-N 2.86Å
407D88.3Confident83.8Confident131 Ų13180.9 Ų80.970%0.70144%0.441SS*.Hα-helixtrans-55-40.2-173.8-65.6-36.1000113.1V409 N410 N411D407-V409 VanDerWaalsContact C-N 3.34Å; D407-V409 PolarHBondContact O-N 2.82Å; D407-N410 WeakPolarHBondContact O-CB 3.33Å; D407-N410 PolarHBondContact O-N 3.13Å; D407-N411 PolarHBondContact O-N 3.46Å; D407-N411 PolarHBondContact O-ND2 3.48Å; D407-N411 PolarHBondContact O-OD1 3Å
408R87.1Confident84.7Confident122 Ų12281.7 Ų81.746%0.4643%0.431SS..Hα-helixtrans-63.8-39.8176.8-69175.9174170.30.7112.4P406 N411 I412 V428 E431P406-R408 VanDerWaalsContact C-N 3.26Å; P406-R408 PolarHBondContact O-N 3.47Å; P406-R408 VanDerWaalsContact O-N 3.16Å; R408-N411 PolarHBondContact O-N 3.33Å; R408-I412 PolarHBondContact O-N 3.18Å; R408-V428 HydrophobicContact CB-CG1 4.31Å; R408-V428 HydrophobicContact CB-CG2 4.19Å; R408-V428 WeakPolarHBondContact O-CG1 3.42Å; R408-E431 VanDerWaalsContact CD-OE1 3.32Å; R408-E431 WeakPolarHBondContact CD-OE1 3.34Å; R408-E431 IonicContact CZ-OE1 2.93Å; R408-E431 IonicContact NH1-OE1 2.69Å; R408-E431 PolarHBondContact NH1-OE1 3.47Å
409V91.8Very high85.9Confident0 Ų082.9 Ų82.90%043%0.433CS..Hα-helixtrans-70.3-38.4176.3-174.60000109.8L405 P406 D407 N411 I412 V413 V428 E431 A432 I595L405-V409 HydrophobicContact CD1-CB 4.07Å; L405-V409 HydrophobicContact CD1-CG1 3.56Å; L405-V409 HydrophobicContact CD2-CG1 4.27Å; L405-V409 HydrophobicContact CG-CB 4.04Å; L405-V409 HydrophobicContact CG-CG1 3.96Å; P406-V409 HydrophobicContact CB-CB 4.43Å; P406-V409 HydrophobicContact CB-CG2 4.06Å; P406-V409 HydrophobicContact CG-CG2 4.15Å; P406-V409 CarbonylContact O-C 3.59Å; P406-V409 WeakPolarHBondContact O-CA 3.27Å; P406-V409 WeakPolarHBondContact O-CB 3.02Å; P406-V409 PolarHBondContact O-N 3.21Å; D407-V409 VanDerWaalsContact C-N 3.34Å; D407-V409 PolarHBondContact O-N 2.82Å; V409-N411 VanDerWaalsContact C-N 3.31Å; V409-N411 PolarHBondContact O-N 3.18Å; V409-I412 WeakPolarHBondContact O-CG1 3.23Å; V409-I412 PolarHBondContact O-N 3.38Å; V409-V413 WeakPolarHBondContact O-CG2 3.13Å; V409-V413 PolarHBondContact O-N 3.27Å; V409-V428 HydrophobicContact CG2-CG1 4.31Å; V409-E431 HydrophobicContact CG2-CB 3.63Å; V409-A432 HydrophobicContact CG1-CB 3.99Å; V409-A432 HydrophobicContact CG2-CB 4.27Å; V409-I595 HydrophobicContact CG1-CD1 3.61Å
410N92.2Very high87.6Confident57 Ų5777 Ų7731%0.30539%0.394SS..Hα-helixtrans-60.7-40.4174.9-169.341000111.9L405 P406 D407 I412 V413 Q414L405-N410 HydrophobicContact CD2-CB 3.96Å; L405-N410 HydrophobicContact CG-CB 4.44Å; P406-N410 PolarHBondContact O-N 2.86Å; D407-N410 WeakPolarHBondContact O-CB 3.33Å; D407-N410 PolarHBondContact O-N 3.13Å; N410-I412 PolarHBondContact O-N 2.83Å; N410-V413 PolarHBondContact O-N 3.27Å; N410-V413 VanDerWaalsContact O-N 3.14Å; N410-Q414 PolarHBondContact ND2-NE2 3.42Å; N410-Q414 WeakPolarHBondContact O-CG 3.35Å; N410-Q414 PolarHBondContact O-N 2.91Å
411N89.9Confident88.2Confident99 Ų9978 Ų7853%0.52940%0.403SS..Hα-helixtrans-59.2-43176.8-67.3-19.9000112.5D407 R408 V409 V413 Q414 D415D407-N411 PolarHBondContact O-N 3.46Å; D407-N411 PolarHBondContact O-ND2 3.48Å; D407-N411 PolarHBondContact O-OD1 3Å; R408-N411 PolarHBondContact O-N 3.33Å; V409-N411 VanDerWaalsContact C-N 3.31Å; V409-N411 PolarHBondContact O-N 3.18Å; N411-V413 VanDerWaalsContact C-N 3.34Å; N411-Q414 PolarHBondContact O-N 3.21Å; N411-D415 PolarHBondContact O-N 3.1Å
412I92.3Very high88.8Confident8 Ų874.5 Ų74.54%0.04139%0.385CS..Hα-helixtrans-73.9-25.8177.263.4161.2000112.7R408 V409 N410 D415 S416 L420 V428 V592R408-I412 PolarHBondContact O-N 3.18Å; V409-I412 WeakPolarHBondContact O-CG1 3.23Å; V409-I412 PolarHBondContact O-N 3.38Å; N410-I412 PolarHBondContact O-N 2.83Å; I412-D415 CarbonylContact O-C 3.58Å; I412-D415 VanDerWaalsContact O-C 3.32Å; I412-S416 WeakPolarHBondContact O-CA 3.45Å; I412-S416 PolarHBondContact O-N 2.99Å; I412-L420 HydrophobicContact CG2-CD1 3.98Å; I412-V428 HydrophobicContact CD1-CG1 3.6Å; I412-V428 HydrophobicContact CG1-CG1 3.85Å; I412-V428 HydrophobicContact CG2-CG1 3.85Å; I412-V592 HydrophobicContact CD1-CG2 4.35Å; I412-V592 HydrophobicContact CG1-CG2 4.35Å; I412-V592 VanDerWaalsContact O-CG2 3.27Å; I412-V592 WeakPolarHBondContact O-CG2 3.33Å
413V92.3Very high89.2Confident47 Ų4774.6 Ų74.629%0.28538%0.377SS..Hα-helixtrans-71.4-35174170.80000110.9L405 V409 N410 N411 V592 I595L405-V413 HydrophobicContact CD2-CB 4.43Å; L405-V413 HydrophobicContact CD2-CG2 4.03Å; V409-V413 WeakPolarHBondContact O-CG2 3.13Å; V409-V413 PolarHBondContact O-N 3.27Å; N410-V413 PolarHBondContact O-N 3.27Å; N410-V413 VanDerWaalsContact O-N 3.14Å; N411-V413 VanDerWaalsContact C-N 3.34Å; V413-V592 HydrophobicContact CG2-CG1 4.42Å; V413-V592 HydrophobicContact CG2-CG2 4.29Å; V413-I595 HydrophobicContact CG2-CD1 4.01Å; V413-I595 HydrophobicContact CG2-CG2 4.43Å
414Q91.6Very high89.2Confident143 Ų14375.5 Ų75.567%0.66838%0.384SS*.Hα-helixtrans-70.8-38176.1-71.1-178.80.800112.9N410 N411N410-Q414 PolarHBondContact ND2-NE2 3.42Å; N410-Q414 WeakPolarHBondContact O-CG 3.35Å; N410-Q414 PolarHBondContact O-N 2.91Å; N411-Q414 PolarHBondContact O-N 3.21Å
415D90.9Very high89.4Confident84 Ų8467.3 Ų67.345%0.44935%0.346SS..  trans-132.682.3176.7-172.6-0.2000111.5N411 I412 K417 K418N411-D415 PolarHBondContact O-N 3.1Å; I412-D415 CarbonylContact O-C 3.58Å; I412-D415 VanDerWaalsContact O-C 3.32Å; D415-K417 VanDerWaalsContact C-N 3.26Å; D415-K417 PolarHBondContact O-N 3.01Å; D415-K417 PolarHBondContact OD1-N 2.75Å; D415-K418 HydrophobicContact CB-CB 4.39Å; D415-K418 PolarHBondContact O-N 2.92Å; D415-K418 PolarHBondContact OD1-N 3.5Å
416S91.8Very high89.4Confident35 Ų3569.6 Ų69.625%0.24535%0.354CS..THydrogen-bonded Turntrans-70.5-20.5-174.377.50000114.2I412 S588 S589I412-S416 WeakPolarHBondContact O-CA 3.45Å; I412-S416 PolarHBondContact O-N 2.99Å; S416-S588 PolarHBondContact O-N 3.19Å; S416-S589 PolarHBondContact O-N 2.86Å; S416-S589 PolarHBondContact O-OG 3.43Å
417K91.6Very high89.3Confident165 Ų16571.7 Ų71.772%0.71736%0.361SS*.THydrogen-bonded Turntrans-93.6-7.4-175.7-68.8-172.4178.7-178.90113D415 S419D415-K417 VanDerWaalsContact C-N 3.26Å; D415-K417 PolarHBondContact O-N 3.01Å; D415-K417 PolarHBondContact OD1-N 2.75Å; K417-S419 PolarHBondContact O-N 3.45Å
418K89.9Confident89.5Confident121 Ų12165.7 Ų65.753%0.52633%0.329SS..  trans-59.7121.1173.9-172176.1178.8-175.20110.1D415 L420D415-K418 HydrophobicContact CB-CB 4.39Å; D415-K418 PolarHBondContact O-N 2.92Å; D415-K418 PolarHBondContact OD1-N 3.5Å; K418-L420 HydrophobicContact CD-CD2 4.08Å; K418-L420 HydrophobicContact CG-CD2 4.17Å; K418-L420 HydrophobicContact CG-CG 4.49Å
419S89.6Confident89.8Confident64 Ų6460.7 Ų60.745%0.44831%0.31SS..  trans-75.3126.7173.6-164.70000109.6K417 T585 S586K417-S419 PolarHBondContact O-N 3.45Å; S419-T585 WeakPolarHBondContact OG-CB 3.31Å; S419-T585 PolarHBondContact OG-OG1 3.04Å; S419-T585 VanDerWaalsContact OG-OG1 3.1Å; S419-S586 WeakPolarHBondContact CA-O 3.42Å
420L88.4Confident89.9Confident13 Ų1360.8 Ų60.87%0.06831%0.311CS..EExtended strand (participates in β ladder)trans-122.5154.2179-64.5174.8000110.6I412 K418 L425 T585 S586I412-L420 HydrophobicContact CG2-CD1 3.98Å; K418-L420 HydrophobicContact CD-CD2 4.08Å; K418-L420 HydrophobicContact CG-CD2 4.17Å; K418-L420 HydrophobicContact CG-CG 4.49Å; L420-L425 HydrophobicContact CB-CD1 4.47Å; L420-L425 HydrophobicContact CB-CD2 3.82Å; L420-L425 HydrophobicContact CB-CG 3.84Å; L420-L425 HydrophobicContact CD1-CD2 4.03Å; L420-L425 HydrophobicContact CG-CD2 4.43Å; L420-L425 WeakPolarHBondContact O-CD1 3.38Å; L420-T585 VanDerWaalsContact O-CA 3.32Å; L420-T585 WeakPolarHBondContact O-CA 3.4Å; L420-S586 PolarHBondContact N-O 3.25Å; L420-S586 PolarHBondContact O-N 3.38Å; L420-S586 VanDerWaalsContact O-N 3.11Å
421P88.9Confident89.9Confident63 Ų6359 Ų5941%0.40930%0.301SS..EExtended strand (participates in β ladder)trans-57.9140.8172-23.134000111.8V423 E424 L425P421-V423 PolarHBondContact O-N 3.31Å; P421-V423 VanDerWaalsContact O-N 3.11Å; P421-E424 PolarHBondContact O-N 2.96Å; P421-L425 PolarHBondContact O-N 3.17Å
422L86.3Confident90.2Very high14 Ų1454.3 Ų54.37%0.07328%0.276CS..Hα-helixtrans-55-33.2-179.5-75.5176.9000113.6L425 K426 L573 G584L422-L425 HydrophobicContact CD2-CD1 4.3Å; L422-K426 WeakPolarHBondContact O-CB 3.45Å; L422-K426 PolarHBondContact O-N 3.16Å; L422-L573 HydrophobicContact CD2-CD1 3.57Å; L422-G584 VanDerWaalsContact CG-O 3.32Å; L422-G584 WeakPolarHBondContact CG-O 3.16Å; L422-G584 PolarHBondContact N-O 3.28Å; L422-G584 VanDerWaalsContact N-O 3.1Å
423V82.6Confident90.3Very high80 Ų8054 Ų5449%0.48527%0.274SS..Hα-helixtrans-66.7-39177.8-179.50000111.8P421P421-V423 PolarHBondContact O-N 3.31Å; P421-V423 VanDerWaalsContact O-N 3.11Å
424E86.1Confident90.4Very high94 Ų9452.2 Ų52.244%0.43926%0.263SS..Hα-helixtrans-72.4-46176.6-171.1177.8172.600110.4P421 K426 K427 V428P421-E424 PolarHBondContact O-N 2.96Å; E424-K426 VanDerWaalsContact C-N 3.26Å; E424-K426 PolarHBondContact O-N 3.27Å; E424-K427 WeakPolarHBondContact O-CB 3.25Å; E424-K427 PolarHBondContact O-N 3.1Å; E424-V428 HydrophobicContact CG-CG2 4.45Å; E424-V428 PolarHBondContact O-N 2.99Å; E424-V428 VanDerWaalsContact O-N 3.07Å
425L89.5Confident90.5Very high0 Ų046.4 Ų46.40%024%0.235CC..Hα-helixtrans-55.9-41.2175.8-71.4173.3000112.2L420 P421 L422 K427 V428 W429 L573 S586 S588L420-L425 HydrophobicContact CB-CD1 4.47Å; L420-L425 HydrophobicContact CB-CD2 3.82Å; L420-L425 HydrophobicContact CB-CG 3.84Å; L420-L425 HydrophobicContact CD1-CD2 4.03Å; L420-L425 HydrophobicContact CG-CD2 4.43Å; L420-L425 WeakPolarHBondContact O-CD1 3.38Å; P421-L425 PolarHBondContact O-N 3.17Å; L422-L425 HydrophobicContact CD2-CD1 4.3Å; L425-K427 PolarHBondContact O-N 2.84Å; L425-V428 PolarHBondContact O-N 3.19Å; L425-W429 WeakPolarHBondContact O-CB 3.4Å; L425-W429 PolarHBondContact O-N 3.39Å; L425-L573 HydrophobicContact CB-CD1 4.49Å; L425-L573 HydrophobicContact CB-CD2 3.98Å; L425-S586 WeakPolarHBondContact CD1-O 3.33Å; L425-S588 VanDerWaalsContact CD2-OG 3.28Å; L425-S588 WeakPolarHBondContact CD2-OG 3.29Å
426K87.9Confident90.7Very high92 Ų9242.4 Ų42.440%0.421%0.214SC..Hα-helixtrans-58.3-34.9177.9-175.1-176.7172.5-167.90112.3L422 E424 G430 Y570 L573L422-K426 WeakPolarHBondContact O-CB 3.45Å; L422-K426 PolarHBondContact O-N 3.16Å; E424-K426 VanDerWaalsContact C-N 3.26Å; E424-K426 PolarHBondContact O-N 3.27Å; K426-G430 PolarHBondContact O-N 3.45Å; K426-Y570 HydrophobicContact CG-CE2 4.11Å; K426-Y570 VanDerWaalsContact O-CE2 3.31Å; K426-Y570 WeakPolarHBondContact O-CE2 3.48Å; K426-Y570 PolarHBondContact O-OH 3.28Å; K426-L573 HydrophobicContact CB-CD2 4.45Å
427K87.1Confident90.8Very high74 Ų7441.2 Ų41.232%0.32221%0.205SC..Hα-helixtrans-73.7-53.6176.2-65.4-179.3178-178.30110.7N225 E424 L425 W429 G430 E431N225-K427 PolarHBondContact ND2-NZ 3.19Å; N225-K427 VanDerWaalsContact ND2-NZ 3.17Å; E424-K427 WeakPolarHBondContact O-CB 3.25Å; E424-K427 PolarHBondContact O-N 3.1Å; L425-K427 PolarHBondContact O-N 2.84Å; K427-W429 PolarHBondContact O-N 3.31Å; K427-G430 PolarHBondContact O-N 2.84Å; K427-G430 VanDerWaalsContact O-N 3.13Å; K427-E431 PolarHBondContact O-N 3.46Å
428V91.7Very high90.8Very high5 Ų533.8 Ų33.83%0.0318%0.175CC..Hα-helixtrans-64.3-40.2-175.7-173.60000111.8R408 V409 I412 E424 L425 G430 E431 A432R408-V428 HydrophobicContact CB-CG1 4.31Å; R408-V428 HydrophobicContact CB-CG2 4.19Å; R408-V428 WeakPolarHBondContact O-CG1 3.42Å; V409-V428 HydrophobicContact CG2-CG1 4.31Å; I412-V428 HydrophobicContact CD1-CG1 3.6Å; I412-V428 HydrophobicContact CG1-CG1 3.85Å; I412-V428 HydrophobicContact CG2-CG1 3.85Å; E424-V428 HydrophobicContact CG-CG2 4.45Å; E424-V428 PolarHBondContact O-N 2.99Å; E424-V428 VanDerWaalsContact O-N 3.07Å; L425-V428 PolarHBondContact O-N 3.19Å; V428-G430 VanDerWaalsContact C-N 3.32Å; V428-E431 PolarHBondContact O-N 3.33Å; V428-A432 WeakPolarHBondContact O-CB 3.24Å; V428-A432 PolarHBondContact O-N 3.19Å
429W94.1Very high90.9Very high16 Ų1628.5 Ų28.56%0.06115%0.153CC..Hα-helixtrans-70.7-29.4176.5-73.926.5000112.3L425 K427 A432 V433 I569 Y570 L573 D587 S588 M591L425-W429 WeakPolarHBondContact O-CB 3.4Å; L425-W429 PolarHBondContact O-N 3.39Å; K427-W429 PolarHBondContact O-N 3.31Å; W429-A432 PolarHBondContact O-N 2.87Å; W429-V433 VanDerWaalsContact O-CG2 3.3Å; W429-V433 WeakPolarHBondContact O-CG2 3.5Å; W429-V433 PolarHBondContact O-N 2.83Å; W429-I569 HydrophobicContact CE3-CG2 3.92Å; W429-I569 HydrophobicContact CH2-CG2 4.05Å; W429-I569 HydrophobicContact CZ3-CG2 3.37Å; W429-Y570 HydrophobicContact CB-CD2 3.83Å; W429-Y570 HydrophobicContact CB-CE2 4.29Å; W429-L573 HydrophobicContact CB-CD2 4.19Å; W429-L573 HydrophobicContact CD2-CD2 3.78Å; W429-L573 HydrophobicContact CE3-CB 3.9Å; W429-L573 HydrophobicContact CE3-CD2 3.55Å; W429-L573 HydrophobicContact CE3-CG 4.2Å; W429-L573 HydrophobicContact CG-CD2 4.09Å; W429-L573 HydrophobicContact CZ3-CB 3.83Å; W429-L573 HydrophobicContact CZ3-CD1 4.33Å; W429-L573 HydrophobicContact CZ3-CD2 4.1Å; W429-L573 HydrophobicContact CZ3-CG 4.3Å; W429-D587 WeakPolarHBondContact CZ2-O 3.47Å; W429-S588 PolarHBondContact NE1-OG 3.04Å; W429-M591 HydrophobicContact CB-CE 4.04Å; W429-M591 HydrophobicContact CD2-CB 3.88Å; W429-M591 HydrophobicContact CD2-CE 3.96Å; W429-M591 HydrophobicContact CD2-CG 4.12Å; W429-M591 HydrophobicContact CE3-CB 4.36Å; W429-M591 HydrophobicContact CE3-CE 3.77Å; W429-M591 HydrophobicContact CG-CB 4.25Å; W429-M591 HydrophobicContact CG-CE 4.1Å; W429-M591 HydrophobicContact CG-CG 4.02Å; W429-M591 HydrophobicContact CZ2-CB 4.07Å
430G92.6Very high91Very high3 Ų327 Ų273%0.03114%0.138CC..Hα-helixtrans-61.6-51.1168.700000111.4C114 K426 K427 V428 A432 V433 N434C114-G430 WeakPolarHBondContact SG-CA 3.5Å; C114-G430 PolarHBondContact SG-O 2.91Å; K426-G430 PolarHBondContact O-N 3.45Å; K427-G430 PolarHBondContact O-N 2.84Å; K427-G430 VanDerWaalsContact O-N 3.13Å; V428-G430 VanDerWaalsContact C-N 3.32Å; G430-A432 VanDerWaalsContact C-N 3.26Å; G430-A432 PolarHBondContact O-N 2.83Å; G430-V433 PolarHBondContact O-N 3.36Å; G430-V433 VanDerWaalsContact O-N 3.16Å; G430-N434 PolarHBondContact O-N 3.14Å
431E93.6Very high91.1Very high20 Ų2027.8 Ų27.89%0.09314%0.143CC..Hα-helixtrans-58.8-37.5175.5-67.3174.9-15100112.1P262 R408 V409 K427 V428 N434 Y435P262-E431 HydrophobicContact CG-CG 4.41Å; R408-E431 VanDerWaalsContact CD-OE1 3.32Å; R408-E431 WeakPolarHBondContact CD-OE1 3.34Å; R408-E431 IonicContact CZ-OE1 2.93Å; R408-E431 IonicContact NH1-OE1 2.69Å; R408-E431 PolarHBondContact NH1-OE1 3.47Å; V409-E431 HydrophobicContact CG2-CB 3.63Å; K427-E431 PolarHBondContact O-N 3.46Å; V428-E431 PolarHBondContact O-N 3.33Å; E431-N434 PolarHBondContact O-N 2.95Å; E431-Y435 WeakPolarHBondContact O-CB 3.25Å; E431-Y435 PolarHBondContact O-N 3.04Å
432A95.3Very high91.1Very high0 Ų026.5 Ų26.50%013%0.132CC..Hα-helixtrans-65.8-43.5174.800000113.1V409 V428 W429 G430 Y435 I436 M591 I595V409-A432 HydrophobicContact CG1-CB 3.99Å; V409-A432 HydrophobicContact CG2-CB 4.27Å; V428-A432 WeakPolarHBondContact O-CB 3.24Å; V428-A432 PolarHBondContact O-N 3.19Å; W429-A432 PolarHBondContact O-N 2.87Å; G430-A432 VanDerWaalsContact C-N 3.26Å; G430-A432 PolarHBondContact O-N 2.83Å; A432-Y435 WeakPolarHBondContact O-CB 3.49Å; A432-Y435 PolarHBondContact O-N 3.44Å; A432-I436 WeakPolarHBondContact O-CG1 3.49Å; A432-I436 PolarHBondContact O-N 3.01Å; A432-M591 HydrophobicContact CB-CG 3.87Å; A432-M591 HydrophobicContact CB-SD 3.95Å; A432-I595 HydrophobicContact CB-CD1 3.86Å; A432-I595 HydrophobicContact CB-CG1 4.33Å
433V95.4Very high91.3Very high1 Ų126.4 Ų26.41%0.00613%0.131CC..Hα-helixtrans-62.2-46.4174.61680000110.2W429 G430 Y435 I436 C437 A566 I567 Y570 M591W429-V433 VanDerWaalsContact O-CG2 3.3Å; W429-V433 WeakPolarHBondContact O-CG2 3.5Å; W429-V433 PolarHBondContact O-N 2.83Å; G430-V433 PolarHBondContact O-N 3.36Å; G430-V433 VanDerWaalsContact O-N 3.16Å; V433-Y435 VanDerWaalsContact C-N 3.29Å; V433-Y435 PolarHBondContact O-N 2.94Å; V433-I436 PolarHBondContact O-N 2.87Å; V433-I436 VanDerWaalsContact O-N 3.12Å; V433-C437 PolarHBondContact O-N 2.81Å; V433-C437 PolarHBondContact O-SG 3.39Å; V433-A566 HydrophobicContact CG2-CB 4.33Å; V433-I567 HydrophobicContact CG1-CG1 3.97Å; V433-Y570 HydrophobicContact CG2-CD1 4.2Å; V433-Y570 HydrophobicContact CG2-CG 4.06Å; V433-M591 HydrophobicContact CG2-CE 3.89Å
434N94Very high91.7Very high10 Ų1023.3 Ų23.35%0.05311%0.113CC..Hα-helixtrans-58.3-40.9175.9-178.269.5000112.2C115 G430 E431 G438C115-N434 HydrophobicContact CB-CB 3.85Å; G430-N434 PolarHBondContact O-N 3.14Å; E431-N434 PolarHBondContact O-N 2.95Å; N434-G438 PolarHBondContact O-N 3.41Å
435Y94.3Very high91.9Very high20 Ų2019.9 Ų19.98%0.07810%0.096CC..Hα-helixtrans-60.9-45.9174.3175.9-98.4000112R403 L405 E431 A432 V433 G438 L439 I595 V599R403-Y435 HydrophobicContact CB-CE2 4.03Å; R403-Y435 HydrophobicContact CG-CD2 3.92Å; R403-Y435 HydrophobicContact CG-CE2 3.74Å; L405-Y435 HydrophobicContact CB-CE2 4.43Å; L405-Y435 HydrophobicContact CD1-CD1 3.69Å; L405-Y435 HydrophobicContact CD1-CD2 3.94Å; L405-Y435 HydrophobicContact CD1-CE1 3.63Å; L405-Y435 HydrophobicContact CD1-CE2 3.89Å; L405-Y435 HydrophobicContact CD1-CG 3.84Å; E431-Y435 WeakPolarHBondContact O-CB 3.25Å; E431-Y435 PolarHBondContact O-N 3.04Å; A432-Y435 WeakPolarHBondContact O-CB 3.49Å; A432-Y435 PolarHBondContact O-N 3.44Å; V433-Y435 VanDerWaalsContact C-N 3.29Å; V433-Y435 PolarHBondContact O-N 2.94Å; Y435-G438 PolarHBondContact O-N 2.89Å; Y435-L439 HydrophobicContact CD1-CD1 4.1Å; Y435-L439 HydrophobicContact CD1-CG 4.45Å; Y435-L439 HydrophobicContact CE1-CD1 3.48Å; Y435-L439 VanDerWaalsContact CE1-CD1 3.48Å; Y435-L439 HydrophobicContact CE1-CG 4.05Å; Y435-L439 HydrophobicContact CE2-CD2 4.45Å; Y435-L439 WeakPolarHBondContact O-CG 3.12Å; Y435-L439 PolarHBondContact O-N 3.11Å; Y435-I595 HydrophobicContact CE1-CG2 4.27Å; Y435-V599 HydrophobicContact CE1-CG2 3.99Å
436I94.8Very high92.1Very high1 Ų120.1 Ų20.11%0.00510%0.098CC..Hα-helixtrans-63.7-47.8177.9-71.3170000111.6A432 V433 G438 L439 K440 E563 A566 M591 A594 I595 T598A432-I436 WeakPolarHBondContact O-CG1 3.49Å; A432-I436 PolarHBondContact O-N 3.01Å; V433-I436 PolarHBondContact O-N 2.87Å; V433-I436 VanDerWaalsContact O-N 3.12Å; I436-G438 VanDerWaalsContact C-N 3.26Å; I436-G438 PolarHBondContact O-N 2.93Å; I436-L439 PolarHBondContact O-N 3.47Å; I436-K440 PolarHBondContact O-N 3.49Å; I436-E563 HydrophobicContact CG2-CB 4.38Å; I436-A566 HydrophobicContact CD1-CB 3.55Å; I436-A566 HydrophobicContact CG2-CB 4.11Å; I436-M591 HydrophobicContact CD1-SD 4.46Å; I436-A594 HydrophobicContact CD1-CB 4.26Å; I436-I595 HydrophobicContact CD1-CG1 3.99Å; I436-I595 HydrophobicContact CG1-CG1 4.46Å; I436-T598 HydrophobicContact CG1-CG2 4.42Å; I436-T598 HydrophobicContact CG2-CG2 4.03Å
437C93.1Very high92.3Very high9 Ų916.5 Ų16.56%0.0618%0.082CC..Hα-helixtrans-55.8-44.4173-700000110.6V433 L439 K440 D441 E563V433-C437 PolarHBondContact O-N 2.81Å; V433-C437 PolarHBondContact O-SG 3.39Å; C437-L439 PolarHBondContact O-N 3.32Å; C437-K440 PolarHBondContact O-N 2.86Å; C437-D441 PolarHBondContact O-N 2.85Å; C437-E563 PolarHBondContact SG-OE1 2.97Å
438G91.9Very high92.5Very high9 Ų915.2 Ų15.29%0.0938%0.077CC..Hα-helixtrans-58.1-46.417700000113.4N434 Y435 I436 K440 D441 D442N434-G438 PolarHBondContact O-N 3.41Å; Y435-G438 PolarHBondContact O-N 2.89Å; I436-G438 VanDerWaalsContact C-N 3.26Å; I436-G438 PolarHBondContact O-N 2.93Å; G438-K440 VanDerWaalsContact C-N 3.33Å; G438-K440 PolarHBondContact O-N 3.15Å; G438-D441 PolarHBondContact O-N 3.33Å; G438-D442 WeakPolarHBondContact O-CB 3.42Å; G438-D442 PolarHBondContact O-N 2.96Å; G438-D442 VanDerWaalsContact O-OD2 3.13Å
439L91.9Very high92.7Very high11 Ų1115 Ų156%0.0588%0.076CC..Hα-helixtrans-60.1-42.6176.6-70.4179000112.3R403 Y435 I436 C437 D442 Y443 M559 T598 V599 Q602R403-L439 HydrophobicContact CB-CD2 4.06Å; Y435-L439 HydrophobicContact CD1-CD1 4.1Å; Y435-L439 HydrophobicContact CD1-CG 4.45Å; Y435-L439 HydrophobicContact CE1-CD1 3.48Å; Y435-L439 VanDerWaalsContact CE1-CD1 3.48Å; Y435-L439 HydrophobicContact CE1-CG 4.05Å; Y435-L439 HydrophobicContact CE2-CD2 4.45Å; Y435-L439 WeakPolarHBondContact O-CG 3.12Å; Y435-L439 PolarHBondContact O-N 3.11Å; I436-L439 PolarHBondContact O-N 3.47Å; C437-L439 PolarHBondContact O-N 3.32Å; L439-D442 PolarHBondContact O-N 2.83Å; L439-Y443 PolarHBondContact O-N 2.96Å; L439-M559 HydrophobicContact CB-CE 4.19Å; L439-T598 HydrophobicContact CB-CG2 4.34Å; L439-T598 HydrophobicContact CD1-CG2 3.84Å; L439-V599 HydrophobicContact CD1-CG2 3.91Å; L439-Q602 PolarHBondContact O-NE2 2.65Å
440K91.3Very high92.7Very high31 Ų3114.5 Ų14.514%0.1357%0.074CC..Hα-helixtrans-66.5-40.5177.7172.8-93.6166.5178.20111.3I436 C437 G438 Y443 S444 M559 E563I436-K440 PolarHBondContact O-N 3.49Å; C437-K440 PolarHBondContact O-N 2.86Å; G438-K440 VanDerWaalsContact C-N 3.33Å; G438-K440 PolarHBondContact O-N 3.15Å; K440-Y443 PolarHBondContact O-N 3.11Å; K440-S444 PolarHBondContact O-N 2.94Å; K440-M559 HydrophobicContact CB-CB 4.3Å; K440-M559 HydrophobicContact CB-CE 3.96Å; K440-M559 HydrophobicContact CG-CB 3.99Å; K440-E563 WeakPolarHBondContact CD-OE2 3.43Å; K440-E563 IonicContact NZ-OE2 2.73Å
441D90.4Very high92.8Very high31 Ų3119.2 Ų19.217%0.1669%0.091CC..Hα-helixtrans-70.6-36.9178.5-80.7-5.6000111.5K118 C437 G438 S444 R445K118-D441 IonicContact NZ-OD2 3.96Å; C437-D441 PolarHBondContact O-N 2.85Å; G438-D441 PolarHBondContact O-N 3.33Å; D441-S444 PolarHBondContact O-N 3.26Å; D441-R445 VanDerWaalsContact C-NH2 3.34Å; D441-R445 PolarHBondContact O-N 3.04Å
442D90Very high92.9Very high36 Ų3618.2 Ų18.219%0.1939%0.086CC..Hα-helixtrans-59.1-46.2172.1-69-27.3000110.9R403 G438 L439 S444 R445 L446R403-D442 IonicContact CZ-OD1 2.82Å; R403-D442 IonicContact CZ-OD2 3.31Å; R403-D442 VanDerWaalsContact CZ-OD2 3.28Å; R403-D442 IonicContact NE-OD2 2.97Å; R403-D442 PolarHBondContact NE-OD2 2.86Å; R403-D442 VanDerWaalsContact NH2-CG 3.27Å; R403-D442 IonicContact NH2-OD1 2.61Å; R403-D442 PolarHBondContact NH2-OD1 3.45Å; R403-D442 IonicContact NH2-OD2 2.72Å; R403-D442 PolarHBondContact NH2-OD2 2.8Å; G438-D442 WeakPolarHBondContact O-CB 3.42Å; G438-D442 PolarHBondContact O-N 2.96Å; G438-D442 VanDerWaalsContact O-OD2 3.13Å; L439-D442 PolarHBondContact O-N 2.83Å; D442-S444 PolarHBondContact O-N 2.58Å; D442-R445 VanDerWaalsContact N-NH2 3.19Å; D442-R445 PolarHBondContact O-N 3.01Å; D442-R445 IonicContact OD1-CZ 2.72Å; D442-R445 IonicContact OD1-NE 3.43Å; D442-R445 IonicContact OD1-NH2 3.67Å; D442-R445 PolarHBondContact OD1-NH2 3.14Å; D442-L446 WeakPolarHBondContact O-CG 3.46Å; D442-L446 PolarHBondContact O-N 3.11Å; D442-L446 VanDerWaalsContact O-N 3.08Å
443Y90.3Very high93Very high11 Ų1118.4 Ų18.44%0.0439%0.087CC..Hα-helixtrans-60.1-44.9174.4175.9-110.6000112.4L439 K440 R445 L446 F447 M559 V605 L606 L609L439-Y443 PolarHBondContact O-N 2.96Å; K440-Y443 PolarHBondContact O-N 3.11Å; Y443-R445 VanDerWaalsContact C-N 3.29Å; Y443-R445 PolarHBondContact O-N 3.03Å; Y443-L446 PolarHBondContact O-N 3.02Å; Y443-F447 WeakPolarHBondContact O-CB 3.46Å; Y443-F447 PolarHBondContact O-N 2.93Å; Y443-M559 HydrophobicContact CD1-CG 4.46Å; Y443-V605 HydrophobicContact CD2-CB 4.33Å; Y443-V605 HydrophobicContact CD2-CG2 3.6Å; Y443-V605 HydrophobicContact CE2-CB 3.71Å; Y443-V605 HydrophobicContact CE2-CG2 3.49Å; Y443-V605 VanDerWaalsContact CE2-CG2 3.49Å; Y443-V605 HydrophobicContact CG-CG2 4.23Å; Y443-L606 HydrophobicContact CD2-CD2 4.14Å; Y443-L609 HydrophobicContact CD2-CD1 4.28Å; Y443-L609 HydrophobicContact CE2-CD1 3.87Å
444S90.5Very high93Very high16 Ų1619.2 Ų19.211%0.1129%0.092CC..Hα-helixtrans-58.7-42179.7-173.10000111.7K440 D441 D442 F447 Q448K440-S444 PolarHBondContact O-N 2.94Å; D441-S444 PolarHBondContact O-N 3.26Å; D442-S444 PolarHBondContact O-N 2.58Å; S444-F447 PolarHBondContact O-N 2.95Å; S444-Q448 WeakPolarHBondContact O-CG 3.45Å; S444-Q448 PolarHBondContact O-N 3.2Å
445R91.2Very high93.1Very high21 Ų2121.6 Ų21.68%0.07910%0.104CC..Hα-helixtrans-65.2-46.3176.3-77.2-178.6-74.8-87.71.2112.5L317 Y387 D441 D442 Y443 F447 Q448 G449L317-R445 HydrophobicContact CD2-CB 3.97Å; Y387-R445 WeakPolarHBondContact CE1-O 3.46Å; D441-R445 VanDerWaalsContact C-NH2 3.34Å; D441-R445 PolarHBondContact O-N 3.04Å; D442-R445 VanDerWaalsContact N-NH2 3.19Å; D442-R445 PolarHBondContact O-N 3.01Å; D442-R445 IonicContact OD1-CZ 2.72Å; D442-R445 IonicContact OD1-NE 3.43Å; D442-R445 IonicContact OD1-NH2 3.67Å; D442-R445 PolarHBondContact OD1-NH2 3.14Å; Y443-R445 VanDerWaalsContact C-N 3.29Å; Y443-R445 PolarHBondContact O-N 3.03Å; R445-F447 VanDerWaalsContact C-N 3.28Å; R445-F447 PolarHBondContact O-N 3.11Å; R445-Q448 WeakPolarHBondContact O-CB 3.33Å; R445-Q448 PolarHBondContact O-N 3.31Å; R445-G449 PolarHBondContact O-N 2.76Å
446L92.3Very high93.2Very high6 Ų620.7 Ų20.73%0.03110%0.101CC..Hα-helixtrans-61.4-39.4176.9-72.8171000111.9L317 M319 A322 D442 Y443 G449 Q450 L606 L609 Y610L317-L446 HydrophobicContact CD1-CD2 4.39Å; L317-L446 HydrophobicContact CD2-CD2 3.99Å; L317-L446 HydrophobicContact CD2-CG 4.45Å; L317-L446 HydrophobicContact CG-CD2 4.41Å; M319-L446 HydrophobicContact CE-CD2 4Å; M319-L446 HydrophobicContact SD-CD2 4.1Å; A322-L446 HydrophobicContact CB-CD1 4.09Å; A322-L446 HydrophobicContact CB-CD2 4.02Å; D442-L446 WeakPolarHBondContact O-CG 3.46Å; D442-L446 PolarHBondContact O-N 3.11Å; D442-L446 VanDerWaalsContact O-N 3.08Å; Y443-L446 PolarHBondContact O-N 3.02Å; L446-G449 PolarHBondContact O-N 3.02Å; L446-Q450 PolarHBondContact O-N 3.23Å; L446-L606 HydrophobicContact CD1-CD2 3.46Å; L446-L606 VanDerWaalsContact CD1-CD2 3.46Å; L446-L609 HydrophobicContact CB-CD1 4.02Å; L446-L609 HydrophobicContact CB-CD2 4.5Å; L446-Y610 HydrophobicContact CD1-CE2 4.47Å; L446-Y610 VanDerWaalsContact CD2-OH 3.25Å; L446-Y610 WeakPolarHBondContact CD2-OH 3.43Å
447F92.3Very high93.4Very high16 Ų1620.7 Ų20.77%0.0710%0.1CC..Hα-helixtrans-64.4-40.5176-179-96.6000111.9Y443 S444 R445 G449 Q450 R451 R554 L609Y443-F447 WeakPolarHBondContact O-CB 3.46Å; Y443-F447 PolarHBondContact O-N 2.93Å; S444-F447 PolarHBondContact O-N 2.95Å; R445-F447 VanDerWaalsContact C-N 3.28Å; R445-F447 PolarHBondContact O-N 3.11Å; F447-G449 VanDerWaalsContact C-N 3.31Å; F447-G449 PolarHBondContact O-N 2.68Å; F447-Q450 PolarHBondContact O-N 2.89Å; F447-R451 PolarHBondContact O-N 2.78Å; F447-R554 HydrophobicContact CD1-CB 4.16Å; F447-R554 HydrophobicContact CD1-CG 4.05Å; F447-R554 HydrophobicContact CE1-CB 3.63Å; F447-R554 HydrophobicContact CE1-CG 4.04Å; F447-R554 HydrophobicContact CE2-CB 4.3Å; F447-R554 HydrophobicContact CG-CG 4.44Å; F447-R554 HydrophobicContact CZ-CB 3.72Å; F447-R554 HydrophobicContact CZ-CG 4.42Å; F447-R554 VanDerWaalsContact CZ-N 3.32Å; F447-L609 HydrophobicContact CB-CD1 4.11Å
448Q92.6Very high93.5Very high47 Ų4722.2 Ų22.222%0.2211%0.108CC..Hα-helixtrans-62.6-38.3172.6-68.6166.7-20.600111.9Y387 S444 R445 R451 A452Y387-Q448 HydrophobicContact CE1-CB 4.38Å; Y387-Q448 WeakPolarHBondContact OH-CB 3.36Å; Y387-Q448 PolarHBondContact OH-OE1 3.09Å; S444-Q448 WeakPolarHBondContact O-CG 3.45Å; S444-Q448 PolarHBondContact O-N 3.2Å; R445-Q448 WeakPolarHBondContact O-CB 3.33Å; R445-Q448 PolarHBondContact O-N 3.31Å; Q448-R451 WeakPolarHBondContact O-CB 3.49Å; Q448-R451 PolarHBondContact O-N 2.65Å; Q448-A452 PolarHBondContact O-N 3.27Å
449G94.9Very high93.7Very high0 Ų026.4 Ų26.40%012%0.121CC..Hα-helixtrans-61.5-45.5173.600000112.7Y387 F389 R445 L446 F447 R451 A452 A453Y387-G449 VanDerWaalsContact CE1-CA 3.43Å; F389-G449 WeakPolarHBondContact CZ-O 3.37Å; R445-G449 PolarHBondContact O-N 2.76Å; L446-G449 PolarHBondContact O-N 3.02Å; F447-G449 VanDerWaalsContact C-N 3.31Å; F447-G449 PolarHBondContact O-N 2.68Å; G449-R451 VanDerWaalsContact C-N 3.29Å; G449-R451 PolarHBondContact O-N 3.05Å; G449-A452 WeakPolarHBondContact O-CB 3.37Å; G449-A452 PolarHBondContact O-N 2.84Å; G449-A452 VanDerWaalsContact O-N 3.16Å; G449-A453 PolarHBondContact O-N 2.93Å
450Q94.6Very high93.9Very high5 Ų529.1 Ų29.12%0.02313%0.131CC..Hα-helixtrans-58.3-41.7172.4-173.9-161.168.500111.9L446 F447 A453 M454 Y551 L609 H612 L613 I616L446-Q450 PolarHBondContact O-N 3.23Å; F447-Q450 PolarHBondContact O-N 2.89Å; Q450-A453 PolarHBondContact O-N 3.18Å; Q450-M454 PolarHBondContact O-N 2.87Å; Q450-Y551 PolarHBondContact OE1-O 3.43Å; Q450-L609 HydrophobicContact CB-CG 4.44Å; Q450-L609 PolarHBondContact NE2-O 3.23Å; Q450-H612 PolarHBondContact NE2-ND1 3.42Å; Q450-H612 VanDerWaalsContact NE2-ND1 3.14Å; Q450-L613 HydrophobicContact CG-CB 4.29Å; Q450-L613 HydrophobicContact CG-CD1 4.35Å; Q450-I616 HydrophobicContact CG-CD1 3.85Å
451R94.4Very high94.1Very high102 Ų10228.1 Ų28.139%0.38513%0.127SC..Hα-helixtrans-63.3-41.6175.6-169.6-176.873-138.12.1111.8F447 Q448 G449 A453 M454 L455F447-R451 PolarHBondContact O-N 2.78Å; Q448-R451 WeakPolarHBondContact O-CB 3.49Å; Q448-R451 PolarHBondContact O-N 2.65Å; G449-R451 VanDerWaalsContact C-N 3.29Å; G449-R451 PolarHBondContact O-N 3.05Å; R451-A453 VanDerWaalsContact C-N 3.34Å; R451-M454 PolarHBondContact O-N 3.11Å; R451-L455 HydrophobicContact CG-CD1 4.42Å; R451-L455 WeakPolarHBondContact O-CG 3.18Å; R451-L455 PolarHBondContact O-N 3Å
452A96Very high94.4Very high0 Ų030.5 Ų30.50%014%0.143CC..Hα-helixtrans-60.8-42.9174.900000111.4L356 Q357 G360 Y387 Q448 G449 L455 S456L356-A452 HydrophobicContact CB-CB 4.46Å; Q357-A452 WeakPolarHBondContact O-CB 3.41Å; G360-A452 WeakPolarHBondContact CA-O 3.33Å; Y387-A452 HydrophobicContact CD2-CB 3.77Å; Y387-A452 HydrophobicContact CE2-CB 4.08Å; Q448-A452 PolarHBondContact O-N 3.27Å; G449-A452 WeakPolarHBondContact O-CB 3.37Å; G449-A452 PolarHBondContact O-N 2.84Å; G449-A452 VanDerWaalsContact O-N 3.16Å; A452-L455 PolarHBondContact O-N 3.36Å; A452-S456 WeakPolarHBondContact O-CB 3.23Å; A452-S456 PolarHBondContact O-N 3.1Å
453A96.5Very high94.6Very high3 Ų332 Ų323%0.02515%0.151CC..Hα-helixtrans-61.9-42.7173.600000112.4F389 G449 Q450 R451 S456 L457 L613 I616F389-A453 HydrophobicContact CE1-CB 4Å; F389-A453 HydrophobicContact CE2-CB 4.35Å; F389-A453 HydrophobicContact CZ-CB 3.71Å; G449-A453 PolarHBondContact O-N 2.93Å; Q450-A453 PolarHBondContact O-N 3.18Å; R451-A453 VanDerWaalsContact C-N 3.34Å; A453-S456 WeakPolarHBondContact O-CB 3.48Å; A453-S456 PolarHBondContact O-N 3.43Å; A453-L457 PolarHBondContact O-N 3.45Å; A453-L613 HydrophobicContact CB-CD1 3.77Å; A453-I616 HydrophobicContact CB-CG2 4.07Å
454M96.1Very high94.8Very high19 Ų1931.5 Ų31.59%0.09415%0.149CC..Hα-helixtrans-61.2-44.9174.5-179.459.681.900111.7Q450 R451 S456 L457 L458 L546 I616Q450-M454 PolarHBondContact O-N 2.87Å; R451-M454 PolarHBondContact O-N 3.11Å; M454-S456 VanDerWaalsContact C-N 3.3Å; M454-S456 PolarHBondContact O-N 3.24Å; M454-L457 WeakPolarHBondContact O-CB 3.49Å; M454-L457 PolarHBondContact O-N 2.98Å; M454-L457 HydrophobicContact SD-CD2 4.21Å; M454-L458 HydrophobicContact CG-CD1 4.33Å; M454-L458 WeakPolarHBondContact O-CG 3.43Å; M454-L458 PolarHBondContact O-N 3.41Å; M454-L458 HydrophobicContact SD-CG 4.37Å; M454-L546 HydrophobicContact CE-CB 4.01Å; M454-I616 HydrophobicContact CB-CD1 4.13Å; M454-I616 HydrophobicContact CE-CD1 3.72Å; M454-I616 HydrophobicContact CE-CG1 3.68Å; M454-I616 HydrophobicContact SD-CG1 4.5Å
455L96.1Very high95Very high59 Ų5932.5 Ų32.531%0.30915%0.154SC..Hα-helixtrans-63.7-36.7176.6-70.7172.1000112T359 R451 A452 R459T359-L455 WeakPolarHBondContact O-CB 3.36Å; T359-L455 WeakPolarHBondContact O-CD1 3.49Å; R451-L455 HydrophobicContact CG-CD1 4.42Å; R451-L455 WeakPolarHBondContact O-CG 3.18Å; R451-L455 PolarHBondContact O-N 3Å; A452-L455 PolarHBondContact O-N 3.36Å; L455-R459 WeakPolarHBondContact O-CG 3.46Å; L455-R459 PolarHBondContact O-N 3.33Å; L455-R459 PolarHBondContact O-NH1 3.21Å
456S97.3Very high95.2Very high2 Ų238.4 Ų38.41%0.01418%0.176CC..Hα-helixtrans-61.1-52.5171.2-1740000110.6G360 A452 A453 M454 L458 R459 Y460 K620G360-S456 WeakPolarHBondContact O-CA 3.3Å; G360-S456 WeakPolarHBondContact O-CB 3.49Å; A452-S456 WeakPolarHBondContact O-CB 3.23Å; A452-S456 PolarHBondContact O-N 3.1Å; A453-S456 WeakPolarHBondContact O-CB 3.48Å; A453-S456 PolarHBondContact O-N 3.43Å; M454-S456 VanDerWaalsContact C-N 3.3Å; M454-S456 PolarHBondContact O-N 3.24Å; S456-L458 VanDerWaalsContact C-N 3.31Å; S456-L458 PolarHBondContact O-N 3.04Å; S456-R459 WeakPolarHBondContact O-CB 3.46Å; S456-R459 PolarHBondContact O-N 3.49Å; S456-Y460 WeakPolarHBondContact O-CD2 3.38Å; S456-Y460 PolarHBondContact O-N 3.05Å; S456-K620 PolarHBondContact OG-NZ 3.47Å
457L97.2Very high95.2Very high0 Ų040.2 Ų40.20%019%0.189CC..Hα-helixtrans-54.1-44.7176.9173.362.6000112.3A453 M454 R459 Y460 N461 I543 I616 K620 I623A453-L457 PolarHBondContact O-N 3.45Å; M454-L457 WeakPolarHBondContact O-CB 3.49Å; M454-L457 PolarHBondContact O-N 2.98Å; M454-L457 HydrophobicContact SD-CD2 4.21Å; L457-R459 VanDerWaalsContact C-N 3.32Å; L457-R459 PolarHBondContact O-N 2.98Å; L457-Y460 WeakPolarHBondContact O-CB 3.3Å; L457-Y460 PolarHBondContact O-N 3.1Å; L457-N461 WeakPolarHBondContact O-CB 3.48Å; L457-N461 PolarHBondContact O-N 3.27Å; L457-I543 HydrophobicContact CD1-CD1 4.11Å; L457-I543 HydrophobicContact CD1-CG1 4.37Å; L457-I543 HydrophobicContact CD2-CG1 4.27Å; L457-I543 HydrophobicContact CD2-CG2 4.21Å; L457-I543 HydrophobicContact CG-CG1 4.48Å; L457-I543 HydrophobicContact CG-CG2 4.31Å; L457-I616 HydrophobicContact CB-CG2 4.11Å; L457-I616 HydrophobicContact CD2-CB 4.38Å; L457-I616 HydrophobicContact CD2-CG2 3.85Å; L457-K620 HydrophobicContact CD1-CB 3.93Å; L457-I623 HydrophobicContact CD1-CD1 3.59Å
458L96.3Very high95.3Very high42 Ų4240.5 Ų40.522%0.2219%0.19CC..Hα-helixtrans-62.3-37.9178.7-70.3175000112.3M454 S456 N461 T462 I543M454-L458 HydrophobicContact CG-CD1 4.33Å; M454-L458 WeakPolarHBondContact O-CG 3.43Å; M454-L458 PolarHBondContact O-N 3.41Å; M454-L458 HydrophobicContact SD-CG 4.37Å; S456-L458 VanDerWaalsContact C-N 3.31Å; S456-L458 PolarHBondContact O-N 3.04Å; L458-N461 WeakPolarHBondContact O-CB 3.18Å; L458-N461 PolarHBondContact O-N 2.96Å; L458-T462 PolarHBondContact O-N 2.91Å; L458-T462 PolarHBondContact O-OG1 3.32Å; L458-T462 VanDerWaalsContact O-OG1 3.04Å; L458-I543 HydrophobicContact CD2-CG2 3.97Å
459R96.3Very high95.3Very high96 Ų9642.8 Ų42.836%0.36220%0.204SC..Hα-helixtrans-65.1-43.1173.3-70.5-178-176.689.93.6112.1T359 G360 L455 S456 L457 N461 T462 N463T359-R459 PolarHBondContact O-NH1 2.7Å; T359-R459 PolarHBondContact O-NH2 3.36Å; G360-R459 PolarHBondContact O-NH1 2.96Å; L455-R459 WeakPolarHBondContact O-CG 3.46Å; L455-R459 PolarHBondContact O-N 3.33Å; L455-R459 PolarHBondContact O-NH1 3.21Å; S456-R459 WeakPolarHBondContact O-CB 3.46Å; S456-R459 PolarHBondContact O-N 3.49Å; L457-R459 VanDerWaalsContact C-N 3.32Å; L457-R459 PolarHBondContact O-N 2.98Å; R459-N461 VanDerWaalsContact C-N 3.29Å; R459-N461 PolarHBondContact O-N 2.89Å; R459-T462 PolarHBondContact O-N 3.07Å; R459-N463 PolarHBondContact O-N 2.93Å
460Y95.7Very high95.3Very high69 Ų6945.3 Ų45.327%0.27122%0.222SC..Hα-helixtrans-58.8-43.5174.2-89.1-97.6000110.9S456 L457 N463 L464 I623 I624 F627S456-Y460 WeakPolarHBondContact O-CD2 3.38Å; S456-Y460 PolarHBondContact O-N 3.05Å; L457-Y460 WeakPolarHBondContact O-CB 3.3Å; L457-Y460 PolarHBondContact O-N 3.1Å; Y460-N463 PolarHBondContact O-N 3.48Å; Y460-L464 WeakPolarHBondContact O-CB 3.34Å; Y460-L464 PolarHBondContact O-N 2.9Å; Y460-I623 HydrophobicContact CD1-CG2 4.22Å; Y460-I624 HydrophobicContact CD1-CG1 4.25Å; Y460-I624 HydrophobicContact CE1-CD1 4.34Å; Y460-I624 HydrophobicContact CE1-CG1 3.9Å; Y460-F627 AromaticContact CD1-CE2 3.92Å; Y460-F627 HydrophobicContact CD1-CE2 3.92Å; Y460-F627 HydrophobicContact CE1-CE2 4.34Å
461N96.4Very high95.3Very high9 Ų945 Ų455%0.04822%0.221CC..Hα-helixtrans-63.2-43.9176.2-170.729.2000112L457 L458 R459 N463 L464 T465 H540 I543 I623L457-N461 WeakPolarHBondContact O-CB 3.48Å; L457-N461 PolarHBondContact O-N 3.27Å; L458-N461 WeakPolarHBondContact O-CB 3.18Å; L458-N461 PolarHBondContact O-N 2.96Å; R459-N461 VanDerWaalsContact C-N 3.29Å; R459-N461 PolarHBondContact O-N 2.89Å; N461-N463 VanDerWaalsContact C-N 3.31Å; N461-N463 PolarHBondContact O-N 3.48Å; N461-L464 WeakPolarHBondContact O-CB 3.42Å; N461-L464 PolarHBondContact O-N 3.33Å; N461-T465 PolarHBondContact O-N 3.37Å; N461-T465 PolarHBondContact O-OG1 3.1Å; N461-H540 PolarHBondContact ND2-CE1 3.48Å; N461-H540 PolarHBondContact ND2-ND1 3.34Å; N461-H540 PolarHBondContact OD1-ND1 3.31Å; N461-H540 VanDerWaalsContact OD1-ND1 3.1Å; N461-I543 HydrophobicContact CB-CD1 4.04Å; N461-I623 HydrophobicContact CB-CD1 4.08Å
462T95.6Very high95.3Very high81 Ų8144.5 Ų44.550%0.49722%0.221SC..Hα-helixtrans-59.4-42.5174.4-57.30000111.9L458 R459 T465 R466L458-T462 PolarHBondContact O-N 2.91Å; L458-T462 PolarHBondContact O-OG1 3.32Å; L458-T462 VanDerWaalsContact O-OG1 3.04Å; R459-T462 PolarHBondContact O-N 3.07Å; T462-T465 PolarHBondContact O-N 3.37Å; T462-R466 PolarHBondContact O-N 2.91Å; T462-R466 VanDerWaalsContact O-N 3.08Å
463N94.8Very high95.2Very high69 Ų6946 Ų4637%0.36924%0.237SC..Hα-helixtrans-66.8-41.9176.5-73.1-17.8000111.8R459 Y460 N461 T465 R466 C467 F627R459-N463 PolarHBondContact O-N 2.93Å; Y460-N463 PolarHBondContact O-N 3.48Å; N461-N463 VanDerWaalsContact C-N 3.31Å; N461-N463 PolarHBondContact O-N 3.48Å; N463-T465 PolarHBondContact O-N 2.98Å; N463-R466 WeakPolarHBondContact O-CB 3.49Å; N463-R466 PolarHBondContact O-N 2.89Å; N463-R466 PolarHBondContact OD1-NH1 3.37Å; N463-C467 PolarHBondContact O-N 2.99Å; N463-C467 PolarHBondContact O-SG 3.17Å; N463-C467 VanDerWaalsContact O-SG 3.4Å; N463-F627 HydrophobicContact CB-CZ 4.24Å
464L94.6Very high95.1Very high0 Ų049.4 Ų49.40%025%0.251CS..Hα-helixtrans-58.3-47.3175.2-177.765.2000111.2Y460 N461 R466 C467 K468 I536 L539 I623 L626 F627 I630Y460-L464 WeakPolarHBondContact O-CB 3.34Å; Y460-L464 PolarHBondContact O-N 2.9Å; N461-L464 WeakPolarHBondContact O-CB 3.42Å; N461-L464 PolarHBondContact O-N 3.33Å; L464-R466 VanDerWaalsContact C-N 3.3Å; L464-R466 PolarHBondContact O-N 3.12Å; L464-C467 PolarHBondContact O-N 2.64Å; L464-K468 WeakPolarHBondContact O-CB 3.49Å; L464-K468 PolarHBondContact O-N 3.08Å; L464-I536 HydrophobicContact CD1-CG1 4.42Å; L464-I536 HydrophobicContact CD2-CG1 4.45Å; L464-I536 HydrophobicContact CD2-CG2 3.9Å; L464-I536 HydrophobicContact CG-CG2 3.99Å; L464-L539 HydrophobicContact CD2-CD2 4.3Å; L464-I623 HydrophobicContact CB-CG2 4.02Å; L464-I623 HydrophobicContact CD1-CG2 4.4Å; L464-I623 HydrophobicContact CD2-CB 4.37Å; L464-I623 HydrophobicContact CD2-CG1 3.95Å; L464-I623 HydrophobicContact CD2-CG2 4.01Å; L464-I623 HydrophobicContact CG-CG2 4.38Å; L464-L626 HydrophobicContact CD1-CB 4.21Å; L464-L626 HydrophobicContact CD2-CD1 4.21Å; L464-F627 HydrophobicContact CB-CE1 4.49Å; L464-F627 HydrophobicContact CB-CZ 4.38Å; L464-F627 HydrophobicContact CD1-CE1 4.31Å; L464-I630 HydrophobicContact CD1-CD1 3.36Å
465T93.8Very high95.1Very high36 Ų3648.6 Ų48.622%0.22125%0.247CC..Hα-helixtrans-61.2-37.7176.7-56.80000112N461 T462 N463 K468 N469N461-T465 PolarHBondContact O-N 3.37Å; N461-T465 PolarHBondContact O-OG1 3.1Å; T462-T465 PolarHBondContact O-N 3.37Å; N463-T465 PolarHBondContact O-N 2.98Å; T465-K468 WeakPolarHBondContact O-CB 3.4Å; T465-K468 PolarHBondContact O-N 2.9Å; T465-N469 WeakPolarHBondContact O-CB 3.23Å; T465-N469 PolarHBondContact O-N 3.26Å; T465-N469 PolarHBondContact O-OD1 3.29Å
466R94.8Very high95.1Very high145 Ų14549.2 Ų49.255%0.54725%0.249SC..Hα-helixtrans-63.2-45.3174.7-169-172.9-61.1118.63.9111.7T462 N463 L464 N469 S470T462-R466 PolarHBondContact O-N 2.91Å; T462-R466 VanDerWaalsContact O-N 3.08Å; N463-R466 WeakPolarHBondContact O-CB 3.49Å; N463-R466 PolarHBondContact O-N 2.89Å; N463-R466 PolarHBondContact OD1-NH1 3.37Å; L464-R466 VanDerWaalsContact C-N 3.3Å; L464-R466 PolarHBondContact O-N 3.12Å; R466-N469 PolarHBondContact O-N 2.9Å; R466-S470 PolarHBondContact O-N 3.44Å; R466-S470 VanDerWaalsContact O-N 3.12Å; R466-S470 PolarHBondContact O-OG 3.48Å
467C93.6Very high95Very high44 Ų4453.2 Ų53.230%0.29727%0.267SS..Hα-helixtrans-64.4-42.6176.7-65.50000111.6N463 L464 S470 M471 I630N463-C467 PolarHBondContact O-N 2.99Å; N463-C467 PolarHBondContact O-SG 3.17Å; N463-C467 VanDerWaalsContact O-SG 3.4Å; L464-C467 PolarHBondContact O-N 2.64Å; C467-S470 WeakPolarHBondContact O-CB 3.27Å; C467-S470 PolarHBondContact O-N 3.36Å; C467-M471 WeakPolarHBondContact O-CB 3.29Å; C467-M471 PolarHBondContact O-N 3.48Å; C467-I630 HydrophobicContact CB-CG2 4.11Å
468K93.3Very high94.9Very high22 Ų2253.2 Ų53.210%0.09627%0.267CS..Hα-helixtrans-55.5-51.9174.6-173.4-16493.8117.60111.9L464 T465 S470 M471 F472 D533 I536 M537L464-K468 WeakPolarHBondContact O-CB 3.49Å; L464-K468 PolarHBondContact O-N 3.08Å; T465-K468 WeakPolarHBondContact O-CB 3.4Å; T465-K468 PolarHBondContact O-N 2.9Å; K468-S470 VanDerWaalsContact C-N 3.27Å; K468-S470 PolarHBondContact O-N 3.35Å; K468-M471 PolarHBondContact O-N 2.59Å; K468-F472 WeakPolarHBondContact O-CB 3.39Å; K468-F472 PolarHBondContact O-N 3.24Å; K468-D533 WeakPolarHBondContact CD-OD1 3.17Å; K468-D533 WeakPolarHBondContact CE-OD1 3.41Å; K468-D533 WeakPolarHBondContact CG-OD1 3.47Å; K468-D533 IonicContact NZ-OD1 2.89Å; K468-D533 PolarHBondContact NZ-OD1 3.14Å; K468-I536 HydrophobicContact CB-CD1 4.08Å; K468-I536 HydrophobicContact CB-CG2 4.36Å; K468-I536 HydrophobicContact CD-CB 4.13Å; K468-I536 HydrophobicContact CD-CD1 4.41Å; K468-I536 HydrophobicContact CD-CG2 3.57Å; K468-I536 HydrophobicContact CG-CD1 3.87Å; K468-I536 HydrophobicContact CG-CG2 4.17Å; K468-M537 HydrophobicContact CD-CE 3.59Å; K468-M537 PolarHBondContact NZ-SD 3.36Å
469N93.9Very high94.8Very high96 Ų9655.7 Ų55.751%0.51327%0.273SS..Hα-helixtrans-62.2-37.9-179.3-68.1-8.1000111.5T465 R466 G473T465-N469 WeakPolarHBondContact O-CB 3.23Å; T465-N469 PolarHBondContact O-N 3.26Å; T465-N469 PolarHBondContact O-OD1 3.29Å; R466-N469 PolarHBondContact O-N 2.9Å; N469-G473 PolarHBondContact O-N 3.27Å
470S94Very high94.8Very high52 Ų5254 Ų5436%0.36428%0.28SS..Hα-helixtrans-65-47174.9-55.50000111.6R466 C467 K468 F472 G473 F474R466-S470 PolarHBondContact O-N 3.44Å; R466-S470 VanDerWaalsContact O-N 3.12Å; R466-S470 PolarHBondContact O-OG 3.48Å; C467-S470 WeakPolarHBondContact O-CB 3.27Å; C467-S470 PolarHBondContact O-N 3.36Å; K468-S470 VanDerWaalsContact C-N 3.27Å; K468-S470 PolarHBondContact O-N 3.35Å; S470-F472 PolarHBondContact O-N 2.89Å; S470-G473 PolarHBondContact O-N 2.84Å; S470-F474 WeakPolarHBondContact O-CD2 3.12Å; S470-F474 PolarHBondContact O-N 3.5Å
471M95Very high94.8Very high0 Ų053.4 Ų53.40%028%0.279CS..Hα-helixtrans-58.5-46.2176.3-179.1-171.169.200112C467 K468 F474 S475 V529 L532 I630 T633 L634 I637C467-M471 WeakPolarHBondContact O-CB 3.29Å; C467-M471 PolarHBondContact O-N 3.48Å; K468-M471 PolarHBondContact O-N 2.59Å; M471-F474 PolarHBondContact O-N 3.05Å; M471-S475 WeakPolarHBondContact O-CB 3.32Å; M471-S475 PolarHBondContact O-N 3.36Å; M471-V529 HydrophobicContact CE-CB 4Å; M471-V529 HydrophobicContact CE-CG2 4.32Å; M471-V529 HydrophobicContact CG-CG1 4.19Å; M471-V529 HydrophobicContact SD-CB 4.31Å; M471-V529 HydrophobicContact SD-CG1 4.3Å; M471-L532 HydrophobicContact CE-CB 4.01Å; M471-L532 HydrophobicContact SD-CB 4.49Å; M471-L532 HydrophobicContact SD-CD1 4.05Å; M471-I630 HydrophobicContact CB-CG2 4.37Å; M471-I630 HydrophobicContact SD-CG1 4.48Å; M471-I630 HydrophobicContact SD-CG2 4.15Å; M471-T633 HydrophobicContact CG-CG2 4.29Å; M471-T633 HydrophobicContact SD-CG2 3.98Å; M471-L634 HydrophobicContact CB-CD2 3.92Å; M471-L634 HydrophobicContact CB-CG 4.12Å; M471-L634 HydrophobicContact CG-CD2 4.36Å; M471-L634 HydrophobicContact CG-CG 4.37Å; M471-I637 HydrophobicContact CG-CD1 4.37Å
472F93.6Very high94.7Very high91 Ų9153.5 Ų53.540%0.39928%0.279SS..Hα-helixtrans-62.2-44176.6-170.7-94.6000111.5K468 S470 F474 S475 Q476 V529K468-F472 WeakPolarHBondContact O-CB 3.39Å; K468-F472 PolarHBondContact O-N 3.24Å; S470-F472 PolarHBondContact O-N 2.89Å; F472-F474 PolarHBondContact O-N 2.93Å; F472-S475 PolarHBondContact O-N 2.73Å; F472-Q476 HydrophobicContact CD1-CG 4.07Å; F472-Q476 HydrophobicContact CE1-CG 3.74Å; F472-Q476 HydrophobicContact CZ-CG 4.11Å; F472-Q476 WeakPolarHBondContact O-CG 3.19Å; F472-Q476 PolarHBondContact O-N 2.99Å; F472-V529 HydrophobicContact CD2-CG2 4.42Å
473G94.1Very high94.6Very high32 Ų3254.1 Ų54.133%0.3328%0.279SS..Hα-helixtrans-57.2-49.8175.600000113N469 S470 S475 Q476 Q477N469-G473 PolarHBondContact O-N 3.27Å; S470-G473 PolarHBondContact O-N 2.84Å; G473-S475 PolarHBondContact O-N 3.46Å; G473-Q476 PolarHBondContact O-N 3.17Å; G473-Q477 WeakPolarHBondContact O-CG 3.44Å; G473-Q477 PolarHBondContact O-N 3.14Å; G473-Q477 VanDerWaalsContact O-N 3.1Å
474F95.5Very high94.7Very high74 Ų7456.6 Ų56.633%0.32529%0.287SS..Hα-helixtrans-65.8-37.3177.7-71.5-61000112.8S470 M471 F472 Q477 L478 L634 I637S470-F474 WeakPolarHBondContact O-CD2 3.12Å; S470-F474 PolarHBondContact O-N 3.5Å; M471-F474 PolarHBondContact O-N 3.05Å; F472-F474 PolarHBondContact O-N 2.93Å; F474-Q477 PolarHBondContact O-N 2.92Å; F474-L478 PolarHBondContact O-N 3.34Å; F474-L634 HydrophobicContact CB-CD2 4.5Å; F474-L634 HydrophobicContact CD2-CD2 3.55Å; F474-L634 HydrophobicContact CE2-CD2 4.26Å; F474-L634 HydrophobicContact CG-CD2 4.42Å; F474-I637 HydrophobicContact CB-CG2 3.79Å
475S96.1Very high94.7Very high1 Ų156.7 Ų56.71%0.00729%0.288CS..Hα-helixtrans-60.1-45.4174.7158.20000111.7M471 F472 G473 L478 R479 A527M471-S475 WeakPolarHBondContact O-CB 3.32Å; M471-S475 PolarHBondContact O-N 3.36Å; F472-S475 PolarHBondContact O-N 2.73Å; G473-S475 PolarHBondContact O-N 3.46Å; S475-L478 PolarHBondContact O-N 2.94Å; S475-R479 PolarHBondContact O-N 2.96Å; S475-A527 PolarHBondContact OG-O 2.84Å
476Q94.6Very high94.7Very high73 Ų7360 Ų6034%0.34130%0.299SS..Hα-helixtrans-66-38.9178.1-65.8-60-19.500112.1F472 G473 R479 A480F472-Q476 HydrophobicContact CD1-CG 4.07Å; F472-Q476 HydrophobicContact CE1-CG 3.74Å; F472-Q476 HydrophobicContact CZ-CG 4.11Å; F472-Q476 WeakPolarHBondContact O-CG 3.19Å; F472-Q476 PolarHBondContact O-N 2.99Å; G473-Q476 PolarHBondContact O-N 3.17Å; Q476-R479 PolarHBondContact O-N 2.99Å; Q476-A480 WeakPolarHBondContact O-CB 3.46Å; Q476-A480 PolarHBondContact O-N 2.69Å
477Q95.4Very high94.7Very high86 Ų8657.1 Ų57.140%0.40230%0.301SS..Hα-helixtrans-61.4-45.3174.3-71.9176.1-0.400111.9G473 F474 A480 K481G473-Q477 WeakPolarHBondContact O-CG 3.44Å; G473-Q477 PolarHBondContact O-N 3.14Å; G473-Q477 VanDerWaalsContact O-N 3.1Å; F474-Q477 PolarHBondContact O-N 2.92Å; Q477-A480 PolarHBondContact O-N 2.81Å; Q477-K481 WeakPolarHBondContact O-CG 3.34Å; Q477-K481 PolarHBondContact O-N 2.9Å
478L95.4Very high94.7Very high0 Ų056.2 Ų56.20%030%0.295CS..Hα-helixtrans-62-44.6176.5176.159.9000111.1F474 S475 A480 K481 L482 A527 I637 A640 D641 V644F474-L478 PolarHBondContact O-N 3.34Å; S475-L478 PolarHBondContact O-N 2.94Å; L478-A480 PolarHBondContact O-N 2.82Å; L478-K481 PolarHBondContact O-N 3.02Å; L478-L482 HydrophobicContact CD1-CD1 3.97Å; L478-L482 HydrophobicContact CD1-CG 4.01Å; L478-L482 HydrophobicContact CG-CD1 3.86Å; L478-L482 HydrophobicContact CG-CG 4.35Å; L478-L482 WeakPolarHBondContact O-CB 3.48Å; L478-L482 WeakPolarHBondContact O-CG 3.41Å; L478-L482 PolarHBondContact O-N 2.96Å; L478-A527 HydrophobicContact CD2-CB 3.94Å; L478-A527 HydrophobicContact CG-CB 4.14Å; L478-I637 HydrophobicContact CB-CG2 4.14Å; L478-I637 HydrophobicContact CD2-CB 4.4Å; L478-I637 HydrophobicContact CD2-CG1 4.43Å; L478-I637 HydrophobicContact CD2-CG2 3.99Å; L478-A640 HydrophobicContact CD1-CB 4.12Å; L478-A640 HydrophobicContact CD2-CB 3.81Å; L478-D641 HydrophobicContact CD1-CB 4.21Å; L478-V644 HydrophobicContact CD1-CG2 4.47Å
479R95.1Very high94.7Very high93 Ų9355.1 Ų55.135%0.35129%0.29SS..Hα-helixtrans-58.8-48.2177.3-174.1178.4-78126.7-3.3111.4S475 Q476 K481 L482 D483S475-R479 PolarHBondContact O-N 2.96Å; Q476-R479 PolarHBondContact O-N 2.99Å; R479-K481 VanDerWaalsContact C-N 3.34Å; R479-K481 PolarHBondContact O-N 2.91Å; R479-L482 PolarHBondContact O-N 3.2Å; R479-D483 PolarHBondContact O-N 3.02Å
480A95.1Very high94.6Very high60 Ų6054.6 Ų54.650%0.49628%0.284SS..Hα-helixtrans-61.1-41.2177.700000112.6Q476 Q477 L478 D483 F484Q476-A480 WeakPolarHBondContact O-CB 3.46Å; Q476-A480 PolarHBondContact O-N 2.69Å; Q477-A480 PolarHBondContact O-N 2.81Å; L478-A480 PolarHBondContact O-N 2.82Å; A480-D483 PolarHBondContact O-N 3.01Å; A480-F484 WeakPolarHBondContact O-CB 3.42Å; A480-F484 PolarHBondContact O-N 2.9Å
481K95.1Very high94.5Very high58 Ų5858.4 Ų58.425%0.25229%0.292SS..Hα-helixtrans-67.2-38.1175.8-76.5171.7179.2172.70112.5Q477 L478 R479 F485 D641 M645Q477-K481 WeakPolarHBondContact O-CG 3.34Å; Q477-K481 PolarHBondContact O-N 2.9Å; L478-K481 PolarHBondContact O-N 3.02Å; R479-K481 VanDerWaalsContact C-N 3.34Å; R479-K481 PolarHBondContact O-N 2.91Å; K481-F485 VanDerWaalsContact O-CB 3.24Å; K481-F485 WeakPolarHBondContact O-CB 3.32Å; K481-F485 PolarHBondContact O-N 3.27Å; K481-D641 WeakPolarHBondContact CD-OD1 3.23Å; K481-D641 WeakPolarHBondContact CE-OD1 3.35Å; K481-D641 IonicContact NZ-OD1 2.97Å; K481-D641 PolarHBondContact NZ-OD1 3.39Å; K481-D641 IonicContact NZ-OD2 3.32Å; K481-D641 PolarHBondContact NZ-OD2 2.96Å; K481-M645 HydrophobicContact CD-CG 4.45Å; K481-M645 HydrophobicContact CD-SD 4.12Å
482L95.1Very high94.3Very high10 Ų1059.3 Ų59.35%0.05230%0.297CS..Hα-helixtrans-65.7-44175.3-77.9170000111.5L478 R479 F485 K486 A520 F523 A524 V644L478-L482 HydrophobicContact CD1-CD1 3.97Å; L478-L482 HydrophobicContact CD1-CG 4.01Å; L478-L482 HydrophobicContact CG-CD1 3.86Å; L478-L482 HydrophobicContact CG-CG 4.35Å; L478-L482 WeakPolarHBondContact O-CB 3.48Å; L478-L482 WeakPolarHBondContact O-CG 3.41Å; L478-L482 PolarHBondContact O-N 2.96Å; R479-L482 PolarHBondContact O-N 3.2Å; L482-F485 PolarHBondContact O-N 2.94Å; L482-K486 VanDerWaalsContact O-CB 3.23Å; L482-K486 WeakPolarHBondContact O-CB 3.5Å; L482-K486 PolarHBondContact O-N 2.8Å; L482-A520 HydrophobicContact CD2-CB 3.97Å; L482-A520 WeakPolarHBondContact CD2-O 3.48Å; L482-F523 HydrophobicContact CD1-CB 3.99Å; L482-F523 HydrophobicContact CD2-CB 3.94Å; L482-A524 HydrophobicContact CD1-CB 4.48Å; L482-V644 HydrophobicContact CD2-CG1 4.39Å; L482-V644 HydrophobicContact CD2-CG2 3.47Å; L482-V644 VanDerWaalsContact CD2-CG2 3.47Å; L482-V644 HydrophobicContact CG-CG2 4.27Å
483D94.1Very high94.1Very high94 Ų9456.1 Ų56.150%0.50328%0.284SS..Hα-helixtrans-60.3-47.1176.1-70.6-23.9000110.5R479 A480 K486 S487R479-D483 PolarHBondContact O-N 3.02Å; A480-D483 PolarHBondContact O-N 3.01Å; D483-K486 PolarHBondContact O-N 3Å; D483-S487 PolarHBondContact O-N 3.29Å; D483-S487 PolarHBondContact O-OG 3.13Å
484F95.8Very high93.9Very high122 Ų12259.9 Ų59.954%0.53529%0.293SS..Hα-helixtrans-59.5-49174.2178.7-94.4000112.2A480 K486 S487 S488A480-F484 WeakPolarHBondContact O-CB 3.42Å; A480-F484 PolarHBondContact O-N 2.9Å; F484-K486 VanDerWaalsContact C-N 3.31Å; F484-K486 PolarHBondContact O-N 3.36Å; F484-S487 PolarHBondContact O-N 3.36Å; F484-S488 WeakPolarHBondContact O-CB 3.45Å; F484-S488 PolarHBondContact O-N 2.84Å
485F95.4Very high93.5Very high2 Ų260.2 Ų60.21%0.00929%0.294CS..Hα-helixtrans-59.7-42.7179.2178.5-95.8000111.6K481 L482 S488 I489 N516 A520 V644 M647 Q648K481-F485 VanDerWaalsContact O-CB 3.24Å; K481-F485 WeakPolarHBondContact O-CB 3.32Å; K481-F485 PolarHBondContact O-N 3.27Å; L482-F485 PolarHBondContact O-N 2.94Å; F485-S488 PolarHBondContact O-N 3.36Å; F485-I489 HydrophobicContact CD1-CG2 4.46Å; F485-I489 HydrophobicContact CE1-CB 4.33Å; F485-I489 HydrophobicContact CE1-CD1 3.92Å; F485-I489 HydrophobicContact CE1-CG2 4.21Å; F485-I489 HydrophobicContact CZ-CB 4.43Å; F485-I489 HydrophobicContact CZ-CD1 3.69Å; F485-I489 WeakPolarHBondContact O-CG2 3.4Å; F485-I489 PolarHBondContact O-N 2.74Å; F485-N516 HydrophobicContact CZ-CB 4.24Å; F485-A520 HydrophobicContact CD1-CB 3.61Å; F485-A520 HydrophobicContact CE1-CB 3.68Å; F485-V644 HydrophobicContact CB-CG1 3.84Å; F485-V644 HydrophobicContact CD2-CG1 4.26Å; F485-V644 HydrophobicContact CG-CG1 4.02Å; F485-M647 HydrophobicContact CE1-CE 3.76Å; F485-M647 HydrophobicContact CE2-CB 3.8Å; F485-M647 HydrophobicContact CE2-CE 4.48Å; F485-M647 HydrophobicContact CZ-CB 3.92Å; F485-M647 HydrophobicContact CZ-CE 3.62Å; F485-Q648 HydrophobicContact CD2-CB 3.94Å; F485-Q648 HydrophobicContact CE2-CB 4.2Å
486K94Very high93Very high106 Ų10660.3 Ų60.346%0.46129%0.294SS..Hα-helixtrans-65.4-48.6-179.2-171.5176.6-179.5-179.50111.6L482 D483 F484 S488 I489 Q490L482-K486 VanDerWaalsContact O-CB 3.23Å; L482-K486 WeakPolarHBondContact O-CB 3.5Å; L482-K486 PolarHBondContact O-N 2.8Å; D483-K486 PolarHBondContact O-N 3Å; F484-K486 VanDerWaalsContact C-N 3.31Å; F484-K486 PolarHBondContact O-N 3.36Å; K486-S488 PolarHBondContact O-N 2.59Å; K486-I489 WeakPolarHBondContact O-CG2 3.25Å; K486-I489 PolarHBondContact O-N 3.15Å; K486-Q490 WeakPolarHBondContact O-CB 3.32Å; K486-Q490 VanDerWaalsContact O-CG 3.26Å; K486-Q490 WeakPolarHBondContact O-CG 3.49Å; K486-Q490 PolarHBondContact O-N 3.08Å
487S94.3Very high92.6Very high83 Ų8359.9 Ų59.958%0.5830%0.3SS*.Hα-helixtrans-59.2-40.2173.5-62.80000111.5D483 F484 Y491D483-S487 PolarHBondContact O-N 3.29Å; D483-S487 PolarHBondContact O-OG 3.13Å; F484-S487 PolarHBondContact O-N 3.36Å; S487-Y491 WeakPolarHBondContact O-CB 3.31Å; S487-Y491 PolarHBondContact O-N 3.47Å
488S94.8Very high92.1Very high25 Ų2560.7 Ų60.718%0.17531%0.306CS..Hα-helixtrans-69.1-42.6-178.5-166.40000112.5F484 F485 K486 D492 Q648 R651F484-S488 WeakPolarHBondContact O-CB 3.45Å; F484-S488 PolarHBondContact O-N 2.84Å; F485-S488 PolarHBondContact O-N 3.36Å; K486-S488 PolarHBondContact O-N 2.59Å; S488-D492 WeakPolarHBondContact O-CB 3.27Å; S488-D492 PolarHBondContact O-N 3.28Å; S488-Q648 PolarHBondContact OG-NE2 3.02Å; S488-R651 PolarHBondContact O-NH2 3.48Å; S488-R651 PolarHBondContact OG-NH2 3.38Å
489I91.8Very high91.5Very high0 Ų064.5 Ų64.50%032%0.324CS..Hα-helixtrans-73.2-35.5179.5-161.8159.7000112.5F485 K486 D492 L493 W513 N516 E517F485-I489 HydrophobicContact CD1-CG2 4.46Å; F485-I489 HydrophobicContact CE1-CB 4.33Å; F485-I489 HydrophobicContact CE1-CD1 3.92Å; F485-I489 HydrophobicContact CE1-CG2 4.21Å; F485-I489 HydrophobicContact CZ-CB 4.43Å; F485-I489 HydrophobicContact CZ-CD1 3.69Å; F485-I489 WeakPolarHBondContact O-CG2 3.4Å; F485-I489 PolarHBondContact O-N 2.74Å; K486-I489 WeakPolarHBondContact O-CG2 3.25Å; K486-I489 PolarHBondContact O-N 3.15Å; I489-D492 PolarHBondContact O-N 3.44Å; I489-L493 HydrophobicContact CG1-CD1 4.14Å; I489-L493 HydrophobicContact CG1-CG 4.37Å; I489-L493 WeakPolarHBondContact O-CB 3.19Å; I489-L493 VanDerWaalsContact O-CG 3.29Å; I489-L493 WeakPolarHBondContact O-CG 3.27Å; I489-L493 PolarHBondContact O-N 2.97Å; I489-W513 HydrophobicContact CD1-CB 4.31Å; I489-W513 VanDerWaalsContact CD1-O 3.22Å; I489-W513 WeakPolarHBondContact CD1-O 3.31Å; I489-N516 HydrophobicContact CD1-CB 3.9Å; I489-E517 HydrophobicContact CD1-CB 4.26Å; I489-E517 HydrophobicContact CG2-CB 4.21Å; I489-E517 HydrophobicContact CG2-CG 4.12Å
490Q92.9Very high90.7Very high84 Ų8463.6 Ų63.639%0.39333%0.325SS..Hα-helixtrans-66.2-43.1178.1-75.2-179.9-1500111.6K486 D492 L493 E494 E517K486-Q490 WeakPolarHBondContact O-CB 3.32Å; K486-Q490 VanDerWaalsContact O-CG 3.26Å; K486-Q490 WeakPolarHBondContact O-CG 3.49Å; K486-Q490 PolarHBondContact O-N 3.08Å; Q490-D492 VanDerWaalsContact C-N 3.32Å; Q490-D492 PolarHBondContact O-N 3.37Å; Q490-L493 PolarHBondContact O-N 3.48Å; Q490-E494 WeakPolarHBondContact O-CB 3.43Å; Q490-E494 PolarHBondContact O-N 3.2Å; Q490-E517 WeakPolarHBondContact CG-OE1 3.3Å; Q490-E517 PolarHBondContact NE2-OE1 3.48Å
491Y92.1Very high89.6Confident132 Ų13268 Ų6852%0.51834%0.335SS..Hα-helixtrans-58-47.2173-177.8-93.1000111.6S487 L493 E494 K495S487-Y491 WeakPolarHBondContact O-CB 3.31Å; S487-Y491 PolarHBondContact O-N 3.47Å; Y491-L493 PolarHBondContact O-N 3.47Å; Y491-E494 PolarHBondContact O-N 3.27Å; Y491-K495 HydrophobicContact CD1-CG 4.26Å; Y491-K495 HydrophobicContact CE1-CG 3.83Å; Y491-K495 HydrophobicContact CE2-CG 4.25Å; Y491-K495 WeakPolarHBondContact O-CG 3.33Å; Y491-K495 PolarHBondContact O-N 2.91Å
492D89.6Confident88.6Confident19 Ų1975.8 Ų75.810%0.10236%0.364CS..Hα-helixtrans-62.1-41.9179.4-76.9-14000111.9S488 I489 Q490 Y496 R651 F655S488-D492 WeakPolarHBondContact O-CB 3.27Å; S488-D492 PolarHBondContact O-N 3.28Å; I489-D492 PolarHBondContact O-N 3.44Å; Q490-D492 VanDerWaalsContact C-N 3.32Å; Q490-D492 PolarHBondContact O-N 3.37Å; D492-Y496 WeakPolarHBondContact O-CB 3.24Å; D492-Y496 PolarHBondContact O-N 3.09Å; D492-R651 IonicContact OD2-CZ 3.55Å; D492-R651 IonicContact OD2-NE 2.73Å; D492-R651 PolarHBondContact OD2-NE 3.27Å; D492-R651 IonicContact OD2-NH2 3.12Å; D492-R651 PolarHBondContact OD2-NH2 3.43Å; D492-F655 HydrophobicContact CB-CE2 3.59Å; D492-F655 HydrophobicContact CB-CZ 3.52Å; D492-F655 VanDerWaalsContact OD2-CE2 3.26Å; D492-F655 WeakPolarHBondContact OD2-CE2 3.31Å
493L89.6Confident87.6Confident25 Ų2577.3 Ų77.313%0.13138%0.382CS..Hα-helixtrans-66.6-42.6176.1-75.5168.5000112.5I489 Q490 Y491 Y496 S497 L510 W513 Q514 E517I489-L493 HydrophobicContact CG1-CD1 4.14Å; I489-L493 HydrophobicContact CG1-CG 4.37Å; I489-L493 WeakPolarHBondContact O-CB 3.19Å; I489-L493 VanDerWaalsContact O-CG 3.29Å; I489-L493 WeakPolarHBondContact O-CG 3.27Å; I489-L493 PolarHBondContact O-N 2.97Å; Q490-L493 PolarHBondContact O-N 3.48Å; Y491-L493 PolarHBondContact O-N 3.47Å; L493-Y496 PolarHBondContact O-N 3.31Å; L493-S497 WeakPolarHBondContact O-CB 3.4Å; L493-S497 PolarHBondContact O-N 3.28Å; L493-L510 HydrophobicContact CD2-CD1 3.67Å; L493-W513 HydrophobicContact CD2-CB 3.96Å; L493-W513 HydrophobicContact CD2-CE3 4.28Å; L493-Q514 HydrophobicContact CD2-CG 4.33Å; L493-E517 WeakPolarHBondContact CD1-OE2 3.47Å
494E90.4Very high86.6Confident111 Ų11174.6 Ų74.652%0.51937%0.367SS..Hα-helixtrans-61-52.3177.1-173-166.8142.300110.6Q490 Y491 Y496 S497 D498Q490-E494 WeakPolarHBondContact O-CB 3.43Å; Q490-E494 PolarHBondContact O-N 3.2Å; Y491-E494 PolarHBondContact O-N 3.27Å; E494-Y496 VanDerWaalsContact C-N 3.31Å; E494-Y496 PolarHBondContact O-N 2.86Å; E494-S497 WeakPolarHBondContact O-CB 3.43Å; E494-S497 PolarHBondContact O-N 3.43Å; E494-S497 VanDerWaalsContact O-N 3.14Å; E494-D498 PolarHBondContact O-N 3.37Å; E494-D498 VanDerWaalsContact O-N 3.07Å
495K87.8Confident85.7Confident81 Ų8172.8 Ų72.835%0.35237%0.37SS..Hα-helixtrans-66.7-33.5179.7-63.7-59.6165.3-137.90112.9Y491 D498 Q499Y491-K495 HydrophobicContact CD1-CG 4.26Å; Y491-K495 HydrophobicContact CE1-CG 3.83Å; Y491-K495 HydrophobicContact CE2-CG 4.25Å; Y491-K495 WeakPolarHBondContact O-CG 3.33Å; Y491-K495 PolarHBondContact O-N 2.91Å; K495-D498 IonicContact NZ-OD2 2.81Å; K495-D498 PolarHBondContact O-N 3.03Å; K495-Q499 PolarHBondContact O-N 2.84Å
496Y85.6Confident85.1Confident2 Ų274.4 Ų74.41%0.00838%0.381CS..Hα-helixtrans-64.5-41.2173-177-87.7000111.8D492 L493 E494 Q499 M500 S506 L510 W513D492-Y496 WeakPolarHBondContact O-CB 3.24Å; D492-Y496 PolarHBondContact O-N 3.09Å; L493-Y496 PolarHBondContact O-N 3.31Å; E494-Y496 VanDerWaalsContact C-N 3.31Å; E494-Y496 PolarHBondContact O-N 2.86Å; Y496-Q499 VanDerWaalsContact O-CG 3.26Å; Y496-Q499 WeakPolarHBondContact O-CG 3.45Å; Y496-Q499 PolarHBondContact O-N 3.32Å; Y496-M500 HydrophobicContact CD1-CG 4.08Å; Y496-M500 HydrophobicContact CD1-SD 4.38Å; Y496-M500 HydrophobicContact CE1-CG 3.87Å; Y496-M500 HydrophobicContact CE1-SD 3.94Å; Y496-M500 WeakPolarHBondContact O-CG 3.49Å; Y496-M500 PolarHBondContact O-N 3.48Å; Y496-S506 PolarHBondContact OH-N 3.42Å; Y496-S506 PolarHBondContact OH-O 2.89Å; Y496-L510 HydrophobicContact CD1-CD1 3.87Å; Y496-L510 HydrophobicContact CE1-CB 3.97Å; Y496-L510 HydrophobicContact CE1-CD1 3.98Å; Y496-L510 HydrophobicContact CE1-CD2 4.21Å; Y496-L510 HydrophobicContact CE1-CG 4.28Å; Y496-W513 HydrophobicContact CD2-CH2 4.49Å; Y496-W513 HydrophobicContact CD2-CZ3 4.12Å; Y496-W513 HydrophobicContact CG-CZ3 4.28Å
497S85.1Confident84.5Confident65 Ų6577.5 Ų77.546%0.45540%0.398SS..Hα-helixtrans-60.4-45.5175.5-174.30000112.1L493 E494 Q499 M500L493-S497 WeakPolarHBondContact O-CB 3.4Å; L493-S497 PolarHBondContact O-N 3.28Å; E494-S497 WeakPolarHBondContact O-CB 3.43Å; E494-S497 PolarHBondContact O-N 3.43Å; E494-S497 VanDerWaalsContact O-N 3.14Å; S497-Q499 VanDerWaalsContact C-N 3.29Å; S497-Q499 PolarHBondContact O-N 2.69Å; S497-M500 PolarHBondContact O-N 3.09Å
498D85.4Confident84.1Confident102 Ų10282.4 Ų82.455%0.54541%0.408SS..Hα-helixtrans-57.2-40.6178.6-70.9-19.1000112.4E494 K495E494-D498 PolarHBondContact O-N 3.37Å; E494-D498 VanDerWaalsContact O-N 3.07Å; K495-D498 IonicContact NZ-OD2 2.81Å; K495-D498 PolarHBondContact O-N 3.03Å
499Q82.4Confident83.7Confident80 Ų8082.3 Ų82.337%0.37441%0.406SS..Hα-helixtrans-86.2-9.2-176.770.8173.9-7.300114.6K495 Y496 S497 H501 Y502 G503K495-Q499 PolarHBondContact O-N 2.84Å; Y496-Q499 VanDerWaalsContact O-CG 3.26Å; Y496-Q499 WeakPolarHBondContact O-CG 3.45Å; Y496-Q499 PolarHBondContact O-N 3.32Å; S497-Q499 VanDerWaalsContact C-N 3.29Å; S497-Q499 PolarHBondContact O-N 2.69Å; Q499-H501 PolarHBondContact O-N 3.07Å; Q499-Y502 PolarHBondContact O-N 3.04Å; Q499-Y502 VanDerWaalsContact O-N 3.12Å; Q499-G503 WeakPolarHBondContact O-CA 3.45Å; Q499-G503 PolarHBondContact O-N 3.03Å
500M77.6Confident83.4Confident74 Ų7484.1 Ų84.137%0.36542%0.415SS..THydrogen-bonded Turntrans-57-28.6-171.7-72.9-158.4-42.400114.2Y496 S497 L510Y496-M500 HydrophobicContact CD1-CG 4.08Å; Y496-M500 HydrophobicContact CD1-SD 4.38Å; Y496-M500 HydrophobicContact CE1-CG 3.87Å; Y496-M500 HydrophobicContact CE1-SD 3.94Å; Y496-M500 WeakPolarHBondContact O-CG 3.49Å; Y496-M500 PolarHBondContact O-N 3.48Å; S497-M500 PolarHBondContact O-N 3.09Å; M500-L510 HydrophobicContact SD-CD2 4.29Å
501H72.1Confident83.2Confident152 Ų15286.2 Ų86.270%0.70442%0.423SS*.THydrogen-bonded Turntrans-82.2-22.4-176.1-69.877.1000113.8Q499Q499-H501 PolarHBondContact O-N 3.07Å
502Y75.1Confident83.2Confident223 Ų22381.1 Ų81.188%0.87541%0.408SS*.THydrogen-bonded Turntrans-131.4-9.6-172.1-57.2-74.9000114.1Q499Q499-Y502 PolarHBondContact O-N 3.04Å; Q499-Y502 VanDerWaalsContact O-N 3.12Å
503G74.4Confident83.2Confident41 Ų4180.2 Ų80.242%0.42340%0.403SS..SBendtrans-114.8-156.3-176.100000113.8Q499Q499-G503 WeakPolarHBondContact O-CA 3.45Å; Q499-G503 PolarHBondContact O-N 3.03Å
504I72.1Confident83.3Confident38 Ų3883.4 Ų83.420%0.19542%0.418CS..  trans-85.5123.8-179.6-61174.9000109.8L658 I661 A662I504-L658 WeakPolarHBondContact CD1-O 3.4Å; I504-L658 HydrophobicContact CG2-CD2 3.91Å; I504-I661 HydrophobicContact CD1-CG2 4.4Å; I504-A662 VanDerWaalsContact CD1-CA 3.46Å; I504-A662 HydrophobicContact CD1-CB 3.34Å; I504-A662 HydrophobicContact CG1-CB 4.49Å
505S78.3Confident83.5Confident83 Ų8383 Ų8358%0.5842%0.415SS*.  trans-111.5138.9175.662.20000112.1
506S82.8Confident83.7Confident37 Ų3780 Ų8026%0.25940%0.404SS..  trans-144.299.9174.91740000109.4Y496 K508 M509 L510Y496-S506 PolarHBondContact OH-N 3.42Å; Y496-S506 PolarHBondContact OH-O 2.89Å; S506-K508 VanDerWaalsContact C-N 3.27Å; S506-K508 PolarHBondContact O-N 3.12Å; S506-M509 PolarHBondContact O-N 3.23Å; S506-M509 VanDerWaalsContact O-N 3.17Å; S506-M509 WeakPolarHBondContact OG-CB 3.44Å; S506-M509 PolarHBondContact OG-N 3.33Å; S506-L510 PolarHBondContact O-N 3.03Å; S506-L510 VanDerWaalsContact O-N 3.14Å
507E81.4Confident84Confident171 Ų17182.6 Ų82.680%0.79942%0.416SS*.Hα-helixtrans-61-36.6179.5-169178.1-17500112.3M509 L510 K511E507-M509 VanDerWaalsContact C-N 3.28Å; E507-M509 PolarHBondContact O-N 3.06Å; E507-L510 PolarHBondContact O-N 2.84Å; E507-K511 PolarHBondContact O-N 2.87Å
508K85.7Confident84.4Confident185 Ų18586.2 Ų86.280%0.80443%0.425SS*.Hα-helixtrans-61.3-36.7176.8-173.2178.4-179-179.70112.5S506 A512S506-K508 VanDerWaalsContact C-N 3.27Å; S506-K508 PolarHBondContact O-N 3.12Å; K508-A512 WeakPolarHBondContact O-CB 3.36Å; K508-A512 PolarHBondContact O-N 2.79Å
509M85.1Confident84.7Confident24 Ų2488 Ų8812%0.11843%0.425CS..Hα-helixtrans-75.6-44.2179.7-172.8177.1-62.400111.2S506 E507 K511 A512 W513 E654 L658S506-M509 PolarHBondContact O-N 3.23Å; S506-M509 VanDerWaalsContact O-N 3.17Å; S506-M509 WeakPolarHBondContact OG-CB 3.44Å; S506-M509 PolarHBondContact OG-N 3.33Å; E507-M509 VanDerWaalsContact C-N 3.28Å; E507-M509 PolarHBondContact O-N 3.06Å; M509-K511 VanDerWaalsContact C-N 3.32Å; M509-K511 PolarHBondContact O-N 3.09Å; M509-A512 PolarHBondContact O-N 2.9Å; M509-A512 VanDerWaalsContact O-N 3.16Å; M509-W513 HydrophobicContact CG-CD2 4.15Å; M509-W513 VanDerWaalsContact CG-CE2 3.44Å; M509-W513 HydrophobicContact CG-CH2 4.18Å; M509-W513 HydrophobicContact CG-CZ2 3.5Å; M509-W513 PolarHBondContact O-N 3.26Å; M509-W513 HydrophobicContact SD-CH2 3.75Å; M509-W513 HydrophobicContact SD-CZ2 3.28Å; M509-W513 WeakPolarHBondContact SD-CZ2 3.05Å; M509-E654 HydrophobicContact CE-CB 3.93Å; M509-E654 HydrophobicContact CE-CG 4.45Å; M509-E654 HydrophobicContact SD-CB 4.16Å; M509-L658 HydrophobicContact CE-CD1 4Å; M509-L658 HydrophobicContact CE-CD2 3.77Å; M509-L658 HydrophobicContact CE-CG 3.74Å; M509-L658 HydrophobicContact SD-CD1 3.44Å; M509-L658 WeakPolarHBondContact SD-CD1 3.49Å; M509-L658 HydrophobicContact SD-CD2 4.27Å; M509-L658 HydrophobicContact SD-CG 3.89Å
510L85.9Confident85.1Confident37 Ų3784.6 Ų84.619%0.19441%0.41CS..Hα-helixtrans-55.8-47.8175.5-179.962.3000111.2L493 Y496 M500 S506 E507 A512 W513 Q514L493-L510 HydrophobicContact CD2-CD1 3.67Å; Y496-L510 HydrophobicContact CD1-CD1 3.87Å; Y496-L510 HydrophobicContact CE1-CB 3.97Å; Y496-L510 HydrophobicContact CE1-CD1 3.98Å; Y496-L510 HydrophobicContact CE1-CD2 4.21Å; Y496-L510 HydrophobicContact CE1-CG 4.28Å; M500-L510 HydrophobicContact SD-CD2 4.29Å; S506-L510 PolarHBondContact O-N 3.03Å; S506-L510 VanDerWaalsContact O-N 3.14Å; E507-L510 PolarHBondContact O-N 2.84Å; L510-A512 PolarHBondContact O-N 2.84Å; L510-W513 PolarHBondContact O-N 3.43Å; L510-Q514 WeakPolarHBondContact O-CG 3.39Å; L510-Q514 PolarHBondContact O-N 2.97Å
511K89.6Confident85.7Confident128 Ų12884 Ų8456%0.55742%0.417SS*.Hα-helixtrans-61-44.3176.7-172175.9179.3177.70112.2E507 M509 W513 Q514 E515E507-K511 PolarHBondContact O-N 2.87Å; M509-K511 VanDerWaalsContact C-N 3.32Å; M509-K511 PolarHBondContact O-N 3.09Å; K511-W513 VanDerWaalsContact C-N 3.28Å; K511-W513 PolarHBondContact O-N 3.12Å; K511-Q514 PolarHBondContact O-N 3.43Å; K511-E515 VanDerWaalsContact CE-OE1 3.3Å; K511-E515 WeakPolarHBondContact CE-OE1 3.45Å; K511-E515 WeakPolarHBondContact O-CG 3.29Å; K511-E515 PolarHBondContact O-N 2.91Å
512A90.4Very high86.6Confident26 Ų2680.4 Ų80.422%0.21541%0.406CS..Hα-helixtrans-63.3-32.4177.800000112.9K508 M509 L510 N516K508-A512 WeakPolarHBondContact O-CB 3.36Å; K508-A512 PolarHBondContact O-N 2.79Å; M509-A512 PolarHBondContact O-N 2.9Å; M509-A512 VanDerWaalsContact O-N 3.16Å; L510-A512 PolarHBondContact O-N 2.84Å; A512-N516 WeakPolarHBondContact O-CB 3.14Å; A512-N516 PolarHBondContact O-N 3.42Å; A512-N516 VanDerWaalsContact O-N 3.09Å; A512-N516 PolarHBondContact O-ND2 2.88Å
513W91.1Very high87.4Confident0 Ų071.2 Ų71.20%037%0.37CS..Hα-helixtrans-76.3-38.2176.6-66.32.4000112.2I489 L493 Y496 M509 L510 K511 N516 E517 R651 E654 F655I489-W513 HydrophobicContact CD1-CB 4.31Å; I489-W513 VanDerWaalsContact CD1-O 3.22Å; I489-W513 WeakPolarHBondContact CD1-O 3.31Å; L493-W513 HydrophobicContact CD2-CB 3.96Å; L493-W513 HydrophobicContact CD2-CE3 4.28Å; Y496-W513 HydrophobicContact CD2-CH2 4.49Å; Y496-W513 HydrophobicContact CD2-CZ3 4.12Å; Y496-W513 HydrophobicContact CG-CZ3 4.28Å; M509-W513 HydrophobicContact CG-CD2 4.15Å; M509-W513 VanDerWaalsContact CG-CE2 3.44Å; M509-W513 HydrophobicContact CG-CH2 4.18Å; M509-W513 HydrophobicContact CG-CZ2 3.5Å; M509-W513 PolarHBondContact O-N 3.26Å; M509-W513 HydrophobicContact SD-CH2 3.75Å; M509-W513 HydrophobicContact SD-CZ2 3.28Å; M509-W513 WeakPolarHBondContact SD-CZ2 3.05Å; L510-W513 PolarHBondContact O-N 3.43Å; K511-W513 VanDerWaalsContact C-N 3.28Å; K511-W513 PolarHBondContact O-N 3.12Å; W513-N516 WeakPolarHBondContact O-CB 3.49Å; W513-N516 PolarHBondContact O-N 3.27Å; W513-E517 PolarHBondContact O-N 3.37Å; W513-R651 HydrophobicContact CD2-CG 4.1Å; W513-R651 HydrophobicContact CG-CG 4.33Å; W513-R651 HydrophobicContact CZ2-CG 4.06Å; W513-E654 HydrophobicContact CZ2-CB 4.45Å; W513-E654 PolarHBondContact NE1-OE2 2.93Å; W513-F655 HydrophobicContact CE3-CE2 4.33Å; W513-F655 HydrophobicContact CE3-CZ 4.3Å; W513-F655 AromaticContact CH2-CD1 3.95Å; W513-F655 HydrophobicContact CH2-CD1 3.95Å; W513-F655 AromaticContact CH2-CD2 3.62Å; W513-F655 HydrophobicContact CH2-CD2 3.62Å; W513-F655 AromaticContact CH2-CE1 3.46Å; W513-F655 HydrophobicContact CH2-CE1 3.46Å; W513-F655 VanDerWaalsContact CH2-CE1 3.46Å; W513-F655 AromaticContact CH2-CE2 3.06Å; W513-F655 HydrophobicContact CH2-CE2 3.06Å; W513-F655 HydrophobicContact CH2-CG 4.04Å; W513-F655 AromaticContact CH2-CZ 3Å; W513-F655 HydrophobicContact CH2-CZ 3Å; W513-F655 AromaticContact CZ2-CD2 3.75Å; W513-F655 HydrophobicContact CZ2-CD2 3.75Å; W513-F655 HydrophobicContact CZ2-CE1 4.49Å; W513-F655 AromaticContact CZ2-CE2 3.53Å; W513-F655 HydrophobicContact CZ2-CE2 3.53Å; W513-F655 HydrophobicContact CZ2-CG 4.33Å; W513-F655 AromaticContact CZ2-CZ 3.96Å; W513-F655 HydrophobicContact CZ2-CZ 3.96Å; W513-F655 HydrophobicContact CZ3-CD2 4.46Å; W513-F655 AromaticContact CZ3-CE1 3.93Å; W513-F655 HydrophobicContact CZ3-CE1 3.93Å; W513-F655 AromaticContact CZ3-CE2 3.51Å; W513-F655 HydrophobicContact CZ3-CE2 3.51Å; W513-F655 AromaticContact CZ3-CZ 3.2Å; W513-F655 HydrophobicContact CZ3-CZ 3.2Å
514Q91.6Very high87.9Confident92 Ų9271.9 Ų71.943%0.4337%0.371SS..Hα-helixtrans-61.1-46171.3-71.4172.5-24.400111.4L493 L510 K511 N516 E517 E518L493-Q514 HydrophobicContact CD2-CG 4.33Å; L510-Q514 WeakPolarHBondContact O-CG 3.39Å; L510-Q514 PolarHBondContact O-N 2.97Å; K511-Q514 PolarHBondContact O-N 3.43Å; Q514-N516 PolarHBondContact O-N 3.02Å; Q514-E517 PolarHBondContact O-N 2.81Å; Q514-E517 VanDerWaalsContact O-N 3.12Å; Q514-E518 PolarHBondContact O-N 3.22Å
515E93.6Very high88.6Confident101 Ų10177 Ų7747%0.47240%0.395SS..Hα-helixtrans-59.3-36.4174.2-73.5172.8-17200112K511 R519K511-E515 VanDerWaalsContact CE-OE1 3.3Å; K511-E515 WeakPolarHBondContact CE-OE1 3.45Å; K511-E515 WeakPolarHBondContact O-CG 3.29Å; K511-E515 PolarHBondContact O-N 2.91Å; E515-R519 VanDerWaalsContact O-CB 3.25Å; E515-R519 WeakPolarHBondContact O-CB 3.16Å; E515-R519 PolarHBondContact O-N 3.43Å
516N92.7Very high88.9Confident20 Ų2075.2 Ų75.211%0.10738%0.38CS..Hα-helixtrans-69.6-38.5175.6-79-16.9000112.6F485 I489 A512 W513 Q514 R519 A520 M647F485-N516 HydrophobicContact CZ-CB 4.24Å; I489-N516 HydrophobicContact CD1-CB 3.9Å; A512-N516 WeakPolarHBondContact O-CB 3.14Å; A512-N516 PolarHBondContact O-N 3.42Å; A512-N516 VanDerWaalsContact O-N 3.09Å; A512-N516 PolarHBondContact O-ND2 2.88Å; W513-N516 WeakPolarHBondContact O-CB 3.49Å; W513-N516 PolarHBondContact O-N 3.27Å; Q514-N516 PolarHBondContact O-N 3.02Å; N516-R519 PolarHBondContact O-N 2.98Å; N516-A520 WeakPolarHBondContact O-CB 3.33Å; N516-A520 PolarHBondContact O-N 2.95Å; N516-M647 HydrophobicContact CB-CE 3.55Å; N516-M647 WeakPolarHBondContact O-CE 3.36Å
517E92.8Very high88.8Confident56 Ų5673.5 Ų73.526%0.26237%0.368SS..Hα-helixtrans-63.3-46.3174.8-174.3179.3-15700110.8I489 Q490 L493 W513 Q514 R519 A520 A521I489-E517 HydrophobicContact CD1-CB 4.26Å; I489-E517 HydrophobicContact CG2-CB 4.21Å; I489-E517 HydrophobicContact CG2-CG 4.12Å; Q490-E517 WeakPolarHBondContact CG-OE1 3.3Å; Q490-E517 PolarHBondContact NE2-OE1 3.48Å; L493-E517 WeakPolarHBondContact CD1-OE2 3.47Å; W513-E517 PolarHBondContact O-N 3.37Å; Q514-E517 PolarHBondContact O-N 2.81Å; Q514-E517 VanDerWaalsContact O-N 3.12Å; E517-R519 PolarHBondContact O-N 3.04Å; E517-A520 PolarHBondContact O-N 3.39Å; E517-A521 PolarHBondContact O-N 3.28Å
518E92.3Very high89.2Confident141 Ų14171.5 Ų71.566%0.65936%0.359SS*.Hα-helixtrans-61.1-44.9175.5-71.1-178.1178.300111.7Q514 A520 A521 T522Q514-E518 PolarHBondContact O-N 3.22Å; E518-A520 VanDerWaalsContact C-N 3.34Å; E518-A520 PolarHBondContact O-N 3.26Å; E518-A521 WeakPolarHBondContact O-CB 3.41Å; E518-A521 PolarHBondContact O-N 2.91Å; E518-A521 VanDerWaalsContact O-N 3.11Å; E518-T522 PolarHBondContact O-N 3.25Å; E518-T522 VanDerWaalsContact O-N 3.13Å
519R92.1Very high89.6Confident140 Ų14063 Ų6353%0.52832%0.322SS..Hα-helixtrans-62.3-40.3177.2-176.2174.4-103.5153.6-6.2111.8E515 N516 E517 A521 T522 F523 M647E515-R519 VanDerWaalsContact O-CB 3.25Å; E515-R519 WeakPolarHBondContact O-CB 3.16Å; E515-R519 PolarHBondContact O-N 3.43Å; N516-R519 PolarHBondContact O-N 2.98Å; E517-R519 PolarHBondContact O-N 3.04Å; R519-A521 VanDerWaalsContact C-N 3.29Å; R519-A521 PolarHBondContact O-N 3.5Å; R519-T522 PolarHBondContact O-N 3.18Å; R519-T522 VanDerWaalsContact O-N 3.15Å; R519-T522 PolarHBondContact O-OG1 3.28Å; R519-F523 HydrophobicContact CG-CD2 4.38Å; R519-F523 HydrophobicContact CG-CE2 3.7Å; R519-F523 HydrophobicContact CG-CZ 3.83Å; R519-F523 WeakPolarHBondContact O-CD2 3.32Å; R519-F523 PolarHBondContact O-N 2.86Å; R519-M647 HydrophobicContact CB-CE 4.36Å; R519-M647 HydrophobicContact CG-SD 4.48Å
520A90.9Very high89.8Confident7 Ų764.6 Ų64.66%0.05834%0.336CS..Hα-helixtrans-62.3-36.3174.100000112.3L482 F485 N516 E517 E518 T522 F523 A524 M647L482-A520 HydrophobicContact CD2-CB 3.97Å; L482-A520 WeakPolarHBondContact CD2-O 3.48Å; F485-A520 HydrophobicContact CD1-CB 3.61Å; F485-A520 HydrophobicContact CE1-CB 3.68Å; N516-A520 WeakPolarHBondContact O-CB 3.33Å; N516-A520 PolarHBondContact O-N 2.95Å; E517-A520 PolarHBondContact O-N 3.39Å; E518-A520 VanDerWaalsContact C-N 3.34Å; E518-A520 PolarHBondContact O-N 3.26Å; A520-T522 VanDerWaalsContact C-N 3.32Å; A520-T522 PolarHBondContact O-N 3.25Å; A520-F523 PolarHBondContact O-N 3.12Å; A520-A524 PolarHBondContact O-N 3.21Å; A520-M647 HydrophobicContact CB-CE 4.43Å
521A89.1Confident90.1Very high62 Ų6268.6 Ų68.651%0.51235%0.353SS..Hα-helixtrans-63-37.4173.700000112.3E517 E518 R519 F523 A524E517-A521 PolarHBondContact O-N 3.28Å; E518-A521 WeakPolarHBondContact O-CB 3.41Å; E518-A521 PolarHBondContact O-N 2.91Å; E518-A521 VanDerWaalsContact O-N 3.11Å; R519-A521 VanDerWaalsContact C-N 3.29Å; R519-A521 PolarHBondContact O-N 3.5Å; A521-F523 VanDerWaalsContact C-N 3.34Å; A521-F523 PolarHBondContact O-N 2.98Å; A521-A524 WeakPolarHBondContact O-CB 3.39Å; A521-A524 PolarHBondContact O-N 2.84Å
522T91.3Very high90.2Very high77 Ų7763.2 Ų63.247%0.47233%0.33SS..Hα-helixtrans-65.9-35174.967.40000112.8E518 R519 A520 A524 Q525E518-T522 PolarHBondContact O-N 3.25Å; E518-T522 VanDerWaalsContact O-N 3.13Å; R519-T522 PolarHBondContact O-N 3.18Å; R519-T522 VanDerWaalsContact O-N 3.15Å; R519-T522 PolarHBondContact O-OG1 3.28Å; A520-T522 VanDerWaalsContact C-N 3.32Å; A520-T522 PolarHBondContact O-N 3.25Å; T522-A524 VanDerWaalsContact C-N 3.26Å; T522-A524 PolarHBondContact O-N 3.23Å; T522-Q525 WeakPolarHBondContact O-CB 3.49Å; T522-Q525 PolarHBondContact O-N 3.29Å
523F91.9Very high90.3Very high30 Ų3063.5 Ų63.513%0.13233%0.329CS..Hα-helixtrans-69.9-20.3176.8-65.4-36.8000113.8L482 R519 A520 A521 Q525 V526 A527 A640 T643 V644 M647L482-F523 HydrophobicContact CD1-CB 3.99Å; L482-F523 HydrophobicContact CD2-CB 3.94Å; R519-F523 HydrophobicContact CG-CD2 4.38Å; R519-F523 HydrophobicContact CG-CE2 3.7Å; R519-F523 HydrophobicContact CG-CZ 3.83Å; R519-F523 WeakPolarHBondContact O-CD2 3.32Å; R519-F523 PolarHBondContact O-N 2.86Å; A520-F523 PolarHBondContact O-N 3.12Å; A521-F523 VanDerWaalsContact C-N 3.34Å; A521-F523 PolarHBondContact O-N 2.98Å; F523-Q525 PolarHBondContact O-N 3.47Å; F523-V526 HydrophobicContact CD1-CG2 4.41Å; F523-V526 WeakPolarHBondContact O-CB 3.46Å; F523-V526 PolarHBondContact O-N 3.34Å; F523-A527 PolarHBondContact O-N 3.41Å; F523-A527 VanDerWaalsContact O-N 3.11Å; F523-A640 HydrophobicContact CB-CB 4.13Å; F523-A640 HydrophobicContact CD1-CB 3.6Å; F523-A640 HydrophobicContact CD2-CB 4.38Å; F523-A640 HydrophobicContact CE1-CB 4.03Å; F523-A640 HydrophobicContact CG-CB 3.8Å; F523-T643 HydrophobicContact CE2-CG2 3.78Å; F523-T643 HydrophobicContact CZ-CG2 3.79Å; F523-V644 HydrophobicContact CD2-CG2 3.66Å; F523-V644 HydrophobicContact CE2-CG2 4.17Å; F523-M647 HydrophobicContact CE2-SD 4.24Å
524A85.4Confident90.4Very high54 Ų5468.6 Ų68.645%0.44636%0.356SS..Hα-helixtrans-61.7-31.5173.400000112.1L482 A520 A521 T522 A527L482-A524 HydrophobicContact CD1-CB 4.48Å; A520-A524 PolarHBondContact O-N 3.21Å; A521-A524 WeakPolarHBondContact O-CB 3.39Å; A521-A524 PolarHBondContact O-N 2.84Å; T522-A524 VanDerWaalsContact C-N 3.26Å; T522-A524 PolarHBondContact O-N 3.23Å; A524-A527 PolarHBondContact O-N 3.11Å
525Q86.6Confident90.6Very high147 Ų14767.4 Ų67.469%0.68735%0.35SS*.Hα-helixtrans-70.6-34173.4-61.7-179.4-3.700111.7T522 F523 A527 E528T522-Q525 WeakPolarHBondContact O-CB 3.49Å; T522-Q525 PolarHBondContact O-N 3.29Å; F523-Q525 PolarHBondContact O-N 3.47Å; Q525-A527 VanDerWaalsContact C-N 3.27Å; Q525-A527 PolarHBondContact O-N 2.79Å; Q525-E528 WeakPolarHBondContact O-CB 3.5Å; Q525-E528 PolarHBondContact O-N 3Å; Q525-E528 VanDerWaalsContact O-N 3.12Å
526V84.4Confident90.7Very high45 Ų4562.6 Ų62.627%0.27333%0.327SS..Hα-helixtrans-67.3-30.9175.8-179.30000111.4F523 E528 I637 A640F523-V526 HydrophobicContact CD1-CG2 4.41Å; F523-V526 WeakPolarHBondContact O-CB 3.46Å; F523-V526 PolarHBondContact O-N 3.34Å; V526-E528 PolarHBondContact O-N 2.95Å; V526-I637 HydrophobicContact CG1-CG1 4.17Å; V526-A640 HydrophobicContact CG1-CB 4.3Å
527A82.1Confident90.7Very high1 Ų164.9 Ų64.91%0.00834%0.339CS..THydrogen-bonded Turntrans-73.9-9.2174.400000113.2S475 L478 F523 A524 Q525 V529S475-A527 PolarHBondContact OG-O 2.84Å; L478-A527 HydrophobicContact CD2-CB 3.94Å; L478-A527 HydrophobicContact CG-CB 4.14Å; F523-A527 PolarHBondContact O-N 3.41Å; F523-A527 VanDerWaalsContact O-N 3.11Å; A524-A527 PolarHBondContact O-N 3.11Å; Q525-A527 VanDerWaalsContact C-N 3.27Å; Q525-A527 PolarHBondContact O-N 2.79Å; A527-V529 PolarHBondContact O-N 2.98Å
528E89.4Confident90.8Very high129 Ų12965.2 Ų65.260%0.60335%0.351SS*.  trans-84.5101.4-179.3-164.5179.5179.100111.4Q525 V526Q525-E528 WeakPolarHBondContact O-CB 3.5Å; Q525-E528 PolarHBondContact O-N 3Å; Q525-E528 VanDerWaalsContact O-N 3.12Å; V526-E528 PolarHBondContact O-N 2.95Å
529V93Very high91.1Very high6 Ų658.9 Ų58.94%0.03632%0.321CS..  trans-1146.9-177.6-57.80000113.9M471 F472 A527 H531 L532 D533 T633 I637M471-V529 HydrophobicContact CE-CB 4Å; M471-V529 HydrophobicContact CE-CG2 4.32Å; M471-V529 HydrophobicContact CG-CG1 4.19Å; M471-V529 HydrophobicContact SD-CB 4.31Å; M471-V529 HydrophobicContact SD-CG1 4.3Å; F472-V529 HydrophobicContact CD2-CG2 4.42Å; A527-V529 PolarHBondContact O-N 2.98Å; V529-H531 PolarHBondContact O-N 3.37Å; V529-L532 PolarHBondContact O-N 3.16Å; V529-L532 VanDerWaalsContact O-N 3.14Å; V529-D533 PolarHBondContact O-N 2.82Å; V529-T633 HydrophobicContact CG1-CG2 3.78Å; V529-I637 HydrophobicContact CG1-CD1 3.84Å
530S90.1Very high91.2Very high57 Ų5755.1 Ų55.140%0.39931%0.31SS..Hα-helixtrans-54.6-46.8-176.145.20000112.6L532 D533 D534S530-L532 VanDerWaalsContact C-N 3.3Å; S530-L532 PolarHBondContact O-N 3.43Å; S530-D533 PolarHBondContact O-N 3.2Å; S530-D533 VanDerWaalsContact O-N 3.09Å; S530-D534 VanDerWaalsContact O-CG 3.32Å; S530-D534 PolarHBondContact O-N 2.98Å
531H91.3Very high91.4Very high121 Ų12157.8 Ų57.856%0.5633%0.328SS*.Hα-helixtrans-54.5-45.4177.7173.5-65.8000112.5V529 E535V529-H531 PolarHBondContact O-N 3.37Å; H531-E535 IonicContact CE1-OE2 2.93Å; H531-E535 PolarHBondContact CE1-OE2 2.89Å; H531-E535 IonicContact ND1-OE2 3.52Å; H531-E535 WeakPolarHBondContact O-CB 3.42Å; H531-E535 PolarHBondContact O-N 3.34Å; H531-E535 VanDerWaalsContact O-N 3.08Å
532L92.7Very high91.7Very high15 Ų1557.8 Ų57.88%0.07932%0.317CS..Hα-helixtrans-70.5-37.2179.6-75.6173.3000111.3M471 V529 S530 E535 I536 L626 R629 T633M471-L532 HydrophobicContact CE-CB 4.01Å; M471-L532 HydrophobicContact SD-CB 4.49Å; M471-L532 HydrophobicContact SD-CD1 4.05Å; V529-L532 PolarHBondContact O-N 3.16Å; V529-L532 VanDerWaalsContact O-N 3.14Å; S530-L532 VanDerWaalsContact C-N 3.3Å; S530-L532 PolarHBondContact O-N 3.43Å; L532-E535 PolarHBondContact O-N 3.12Å; L532-I536 WeakPolarHBondContact O-CB 3.28Å; L532-I536 VanDerWaalsContact O-CD1 3.28Å; L532-I536 WeakPolarHBondContact O-CD1 3.15Å; L532-I536 WeakPolarHBondContact O-CG1 3.48Å; L532-I536 PolarHBondContact O-N 2.84Å; L532-L626 HydrophobicContact CD2-CD2 4.46Å; L532-R629 HydrophobicContact CD2-CB 4.42Å; L532-T633 HydrophobicContact CD1-CG2 4.26Å; L532-T633 WeakPolarHBondContact CD1-OG1 3.46Å
533D92Very high91.9Very high33 Ų3354.1 Ų54.118%0.17630%0.295CS..Hα-helixtrans-63.1-46.4175.3-168.852.3000111.5K468 V529 S530 E535 I536 M537K468-D533 WeakPolarHBondContact CD-OD1 3.17Å; K468-D533 WeakPolarHBondContact CE-OD1 3.41Å; K468-D533 WeakPolarHBondContact CG-OD1 3.47Å; K468-D533 IonicContact NZ-OD1 2.89Å; K468-D533 PolarHBondContact NZ-OD1 3.14Å; V529-D533 PolarHBondContact O-N 2.82Å; S530-D533 PolarHBondContact O-N 3.2Å; S530-D533 VanDerWaalsContact O-N 3.09Å; D533-E535 PolarHBondContact O-N 2.87Å; D533-I536 PolarHBondContact O-N 3.33Å; D533-M537 WeakPolarHBondContact O-CB 3.29Å; D533-M537 VanDerWaalsContact O-CG 3.25Å; D533-M537 WeakPolarHBondContact O-CG 3.45Å; D533-M537 PolarHBondContact O-N 3.15Å
534D93.5Very high92Very high106 Ų10654.6 Ų54.657%0.56730%0.3SS*.Hα-helixtrans-59.9-44.6177.3-69.4-27000111.5S530 M537 A538S530-D534 VanDerWaalsContact O-CG 3.32Å; S530-D534 PolarHBondContact O-N 2.98Å; D534-M537 PolarHBondContact O-N 3.32Å; D534-A538 WeakPolarHBondContact O-CB 3.38Å; D534-A538 PolarHBondContact O-N 3.06Å
535E95.2Very high92.3Very high67 Ų6758.2 Ų58.231%0.31331%0.308SS..Hα-helixtrans-63.2-43.2177-171.1176.9177.600111.8H531 L532 D533 A538 L539 L626 R629H531-E535 IonicContact CE1-OE2 2.93Å; H531-E535 PolarHBondContact CE1-OE2 2.89Å; H531-E535 IonicContact ND1-OE2 3.52Å; H531-E535 WeakPolarHBondContact O-CB 3.42Å; H531-E535 PolarHBondContact O-N 3.34Å; H531-E535 VanDerWaalsContact O-N 3.08Å; L532-E535 PolarHBondContact O-N 3.12Å; D533-E535 PolarHBondContact O-N 2.87Å; E535-A538 PolarHBondContact O-N 3.38Å; E535-L539 WeakPolarHBondContact O-CB 3.49Å; E535-L539 PolarHBondContact O-N 3.37Å; E535-L626 HydrophobicContact CG-CD2 4.22Å; E535-R629 VanDerWaalsContact CD-NH1 3.33Å; E535-R629 IonicContact OE1-CZ 2.79Å; E535-R629 IonicContact OE1-NH1 3.75Å; E535-R629 PolarHBondContact OE1-NH1 3.16Å; E535-R629 IonicContact OE1-NH2 2.71Å; E535-R629 IonicContact OE2-CZ 3.59Å; E535-R629 VanDerWaalsContact OE2-CZ 3.3Å; E535-R629 IonicContact OE2-NH1 3.3Å; E535-R629 PolarHBondContact OE2-NH1 2.9Å; E535-R629 VanDerWaalsContact OE2-NH1 3.1Å; E535-R629 IonicContact OE2-NH2 3.72Å; E535-R629 PolarHBondContact OE2-NH2 2.93Å
536I95.3Very high92.6Very high0 Ų052 Ų520%028%0.279CS..Hα-helixtrans-66.7-39.5176.9-66.5161.2000110.9L464 K468 L532 D533 L539 H540 L626 I630L464-I536 HydrophobicContact CD1-CG1 4.42Å; L464-I536 HydrophobicContact CD2-CG1 4.45Å; L464-I536 HydrophobicContact CD2-CG2 3.9Å; L464-I536 HydrophobicContact CG-CG2 3.99Å; K468-I536 HydrophobicContact CB-CD1 4.08Å; K468-I536 HydrophobicContact CB-CG2 4.36Å; K468-I536 HydrophobicContact CD-CB 4.13Å; K468-I536 HydrophobicContact CD-CD1 4.41Å; K468-I536 HydrophobicContact CD-CG2 3.57Å; K468-I536 HydrophobicContact CG-CD1 3.87Å; K468-I536 HydrophobicContact CG-CG2 4.17Å; L532-I536 WeakPolarHBondContact O-CB 3.28Å; L532-I536 VanDerWaalsContact O-CD1 3.28Å; L532-I536 WeakPolarHBondContact O-CD1 3.15Å; L532-I536 WeakPolarHBondContact O-CG1 3.48Å; L532-I536 PolarHBondContact O-N 2.84Å; D533-I536 PolarHBondContact O-N 3.33Å; I536-L539 PolarHBondContact O-N 2.93Å; I536-H540 WeakPolarHBondContact O-CB 3.43Å; I536-H540 PolarHBondContact O-N 3.35Å; I536-L626 HydrophobicContact CG1-CD1 4.16Å; I536-I630 HydrophobicContact CD1-CD1 3.69Å; I536-I630 HydrophobicContact CD1-CG1 4.22Å
537M93.8Very high92.9Very high69 Ų6954.8 Ų54.834%0.3429%0.289SS..Hα-helixtrans-69-39.1177.8-69.3-63.683.700112.4K468 D533 D534 H540 S541K468-M537 HydrophobicContact CD-CE 3.59Å; K468-M537 PolarHBondContact NZ-SD 3.36Å; D533-M537 WeakPolarHBondContact O-CB 3.29Å; D533-M537 VanDerWaalsContact O-CG 3.25Å; D533-M537 WeakPolarHBondContact O-CG 3.45Å; D533-M537 PolarHBondContact O-N 3.15Å; D534-M537 PolarHBondContact O-N 3.32Å; M537-H540 HydrophobicContact CE-CB 4.08Å; M537-H540 PolarHBondContact O-N 2.82Å; M537-S541 PolarHBondContact O-N 3.05Å
538A95.6Very high93.2Very high63 Ų6364 Ų6452%0.52132%0.324SS..Hα-helixtrans-59.9-47.1172.500000111.2D534 E535 H540 S541 E542D534-A538 WeakPolarHBondContact O-CB 3.38Å; D534-A538 PolarHBondContact O-N 3.06Å; E535-A538 PolarHBondContact O-N 3.38Å; A538-H540 PolarHBondContact O-N 3Å; A538-S541 WeakPolarHBondContact O-CB 3.26Å; A538-S541 PolarHBondContact O-N 3.25Å; A538-E542 PolarHBondContact O-N 2.87Å
539L96.6Very high93Very high7 Ų759 Ų594%0.03730%0.302CS..Hα-helixtrans-64.5-39.6176.6-177.957.4000112.2L464 E535 I536 S541 E542 I543 K622 I623 L626L464-L539 HydrophobicContact CD2-CD2 4.3Å; E535-L539 WeakPolarHBondContact O-CB 3.49Å; E535-L539 PolarHBondContact O-N 3.37Å; I536-L539 PolarHBondContact O-N 2.93Å; L539-S541 VanDerWaalsContact C-N 3.32Å; L539-S541 PolarHBondContact O-N 3.47Å; L539-E542 WeakPolarHBondContact O-CB 3.28Å; L539-E542 PolarHBondContact O-N 3.14Å; L539-I543 HydrophobicContact CD1-CD1 4.35Å; L539-I543 HydrophobicContact CD1-CG1 4.48Å; L539-I543 HydrophobicContact CG-CD1 4.08Å; L539-I543 VanDerWaalsContact O-CG1 3.27Å; L539-I543 WeakPolarHBondContact O-CG1 3.36Å; L539-I543 PolarHBondContact O-N 3.2Å; L539-K622 HydrophobicContact CD1-CB 4Å; L539-K622 HydrophobicContact CD1-CD 3.73Å; L539-K622 HydrophobicContact CD2-CB 3.8Å; L539-I623 HydrophobicContact CD2-CG1 3.62Å; L539-I623 HydrophobicContact CG-CG1 4.41Å; L539-L626 HydrophobicContact CD2-CD1 3.66Å
540H95.6Very high92.2Very high62 Ų6262.6 Ų62.629%0.28733%0.326SS..Hα-helixtrans-60.4-43.5175.5-172.881.8000111.5N461 I536 M537 A538 I543 V544N461-H540 PolarHBondContact ND2-CE1 3.48Å; N461-H540 PolarHBondContact ND2-ND1 3.34Å; N461-H540 PolarHBondContact OD1-ND1 3.31Å; N461-H540 VanDerWaalsContact OD1-ND1 3.1Å; I536-H540 WeakPolarHBondContact O-CB 3.43Å; I536-H540 PolarHBondContact O-N 3.35Å; M537-H540 HydrophobicContact CE-CB 4.08Å; M537-H540 PolarHBondContact O-N 2.82Å; A538-H540 PolarHBondContact O-N 3Å; H540-I543 PolarHBondContact O-N 3.27Å; H540-V544 WeakPolarHBondContact O-CG2 3.46Å; H540-V544 PolarHBondContact O-N 2.8Å
541S94.7Very high91.4Very high63 Ų6364.1 Ų64.144%0.44132%0.324SS..Hα-helixtrans-61.5-45175.4-166.80000111.7M537 A538 L539 I543 V544 E545M537-S541 PolarHBondContact O-N 3.05Å; A538-S541 WeakPolarHBondContact O-CB 3.26Å; A538-S541 PolarHBondContact O-N 3.25Å; L539-S541 VanDerWaalsContact C-N 3.32Å; L539-S541 PolarHBondContact O-N 3.47Å; S541-I543 VanDerWaalsContact C-N 3.3Å; S541-I543 PolarHBondContact O-N 3.45Å; S541-V544 PolarHBondContact O-N 2.87Å; S541-E545 WeakPolarHBondContact O-CG 3.31Å; S541-E545 PolarHBondContact O-N 2.9Å
542E95.7Very high90.2Very high61 Ų6160 Ų6029%0.28531%0.31SS..Hα-helixtrans-55.4-44.2175-174.7-174.814900111.3A538 L539 E545 L546 S619 K622A538-E542 PolarHBondContact O-N 2.87Å; L539-E542 WeakPolarHBondContact O-CB 3.28Å; L539-E542 PolarHBondContact O-N 3.14Å; E542-E545 PolarHBondContact O-N 3.28Å; E542-L546 WeakPolarHBondContact O-CG 3.46Å; E542-L546 PolarHBondContact O-N 2.87Å; E542-S619 PolarHBondContact OE1-OG 3.25Å; E542-K622 IonicContact OE1-NZ 2.64Å; E542-K622 PolarHBondContact OE1-NZ 3.31Å; E542-K622 IonicContact OE2-NZ 3.66Å; E542-K622 PolarHBondContact OE2-NZ 2.72Å
543I95.6Very high89Confident1 Ų168.6 Ų68.61%0.00534%0.342CS..Hα-helixtrans-66.4-40.4179.3-65.4163.8000111.7L457 L458 N461 L539 H540 S541 E545 L546 Q547 I623L457-I543 HydrophobicContact CD1-CD1 4.11Å; L457-I543 HydrophobicContact CD1-CG1 4.37Å; L457-I543 HydrophobicContact CD2-CG1 4.27Å; L457-I543 HydrophobicContact CD2-CG2 4.21Å; L457-I543 HydrophobicContact CG-CG1 4.48Å; L457-I543 HydrophobicContact CG-CG2 4.31Å; L458-I543 HydrophobicContact CD2-CG2 3.97Å; N461-I543 HydrophobicContact CB-CD1 4.04Å; L539-I543 HydrophobicContact CD1-CD1 4.35Å; L539-I543 HydrophobicContact CD1-CG1 4.48Å; L539-I543 HydrophobicContact CG-CD1 4.08Å; L539-I543 VanDerWaalsContact O-CG1 3.27Å; L539-I543 WeakPolarHBondContact O-CG1 3.36Å; L539-I543 PolarHBondContact O-N 3.2Å; H540-I543 PolarHBondContact O-N 3.27Å; S541-I543 VanDerWaalsContact C-N 3.3Å; S541-I543 PolarHBondContact O-N 3.45Å; I543-E545 VanDerWaalsContact C-N 3.32Å; I543-E545 PolarHBondContact O-N 3.45Å; I543-L546 PolarHBondContact O-N 3.32Å; I543-Q547 PolarHBondContact O-N 3.31Å; I543-I623 HydrophobicContact CD1-CD1 3.77Å; I543-I623 HydrophobicContact CD1-CG1 4.36Å
544V93.3Very high87.8Confident39 Ų3972 Ų7224%0.23635%0.352CS..Hα-helixtrans-64.4-38.5176.5172.30000111H540 S541 Q547 R548H540-V544 WeakPolarHBondContact O-CG2 3.46Å; H540-V544 PolarHBondContact O-N 2.8Å; S541-V544 PolarHBondContact O-N 2.87Å; V544-Q547 PolarHBondContact O-N 2.76Å; V544-R548 WeakPolarHBondContact O-CG 3.41Å; V544-R548 PolarHBondContact O-N 3.04Å; V544-R548 VanDerWaalsContact O-N 3.15Å
545E92.7Very high86.4Confident131 Ų13170.8 Ų70.861%0.61234%0.343SS*.Hα-helixtrans-64.9-42.4173.9-72.4-178.2-17700112.2S541 E542 I543 Q547 R548 S549S541-E545 WeakPolarHBondContact O-CG 3.31Å; S541-E545 PolarHBondContact O-N 2.9Å; E542-E545 PolarHBondContact O-N 3.28Å; I543-E545 VanDerWaalsContact C-N 3.32Å; I543-E545 PolarHBondContact O-N 3.45Å; E545-Q547 VanDerWaalsContact C-N 3.3Å; E545-Q547 PolarHBondContact O-N 2.81Å; E545-R548 PolarHBondContact O-N 3.17Å; E545-R548 VanDerWaalsContact O-N 3.14Å; E545-S549 PolarHBondContact O-N 3.45Å
546L92.9Very high84.7Confident15 Ų1567.8 Ų67.88%0.07933%0.33CS..Hα-helixtrans-59.1-42174.2-70.6174.4000111.7M454 E542 I543 R548 S549 H612 K615 S619M454-L546 HydrophobicContact CE-CB 4.01Å; E542-L546 WeakPolarHBondContact O-CG 3.46Å; E542-L546 PolarHBondContact O-N 2.87Å; I543-L546 PolarHBondContact O-N 3.32Å; L546-R548 VanDerWaalsContact C-N 3.28Å; L546-R548 PolarHBondContact O-N 3.45Å; L546-S549 WeakPolarHBondContact O-CB 3.5Å; L546-S549 PolarHBondContact O-N 3.29Å; L546-H612 PolarHBondContact O-NE2 2.94Å; L546-K615 HydrophobicContact CD1-CB 4.31Å; L546-K615 HydrophobicContact CD2-CB 3.67Å; L546-K615 HydrophobicContact CD2-CD 3.89Å; L546-K615 HydrophobicContact CD2-CG 4.42Å; L546-S619 VanDerWaalsContact CD1-OG 3.3Å; L546-S619 WeakPolarHBondContact CD1-OG 3.42Å
547Q90.3Very high83.7Confident104 Ų10473.2 Ų73.249%0.48636%0.359SS..Hα-helixtrans-64-33.6177.2-171.1-1780.600112.9I543 V544 E545 S549 A552I543-Q547 PolarHBondContact O-N 3.31Å; V544-Q547 PolarHBondContact O-N 2.76Å; E545-Q547 VanDerWaalsContact C-N 3.3Å; E545-Q547 PolarHBondContact O-N 2.81Å; Q547-S549 VanDerWaalsContact C-N 3.31Å; Q547-A552 WeakPolarHBondContact O-CB 3.37Å
548R88.3Confident83.4Confident196 Ų19674.9 Ų74.974%0.7436%0.364SS*.Hα-helixtrans-83-9.4178.8-69.4176.7179.8179.81.6113.3V544 E545 L546V544-R548 WeakPolarHBondContact O-CG 3.41Å; V544-R548 PolarHBondContact O-N 3.04Å; V544-R548 VanDerWaalsContact O-N 3.15Å; E545-R548 PolarHBondContact O-N 3.17Å; E545-R548 VanDerWaalsContact O-N 3.14Å; L546-R548 VanDerWaalsContact C-N 3.28Å; L546-R548 PolarHBondContact O-N 3.45Å
549S84.9Confident83.1Confident22 Ų2272 Ų7215%0.15434%0.34CS..SBendtrans-54.8141.5-178.8-170.70000111.9E545 L546 Q547 Y551 A552E545-S549 PolarHBondContact O-N 3.45Å; L546-S549 WeakPolarHBondContact O-CB 3.5Å; L546-S549 PolarHBondContact O-N 3.29Å; Q547-S549 VanDerWaalsContact C-N 3.31Å; S549-Y551 PolarHBondContact O-N 2.85Å; S549-Y551 VanDerWaalsContact O-N 3.11Å; S549-Y551 VanDerWaalsContact OG-CD2 3.27Å; S549-Y551 WeakPolarHBondContact OG-CD2 3.23Å; S549-Y551 PolarHBondContact OG-N 3.03Å; S549-A552 VanDerWaalsContact O-CB 3.31Å; S549-A552 WeakPolarHBondContact O-CB 3.2Å; S549-A552 PolarHBondContact O-N 3.46Å
550P76.2Confident82.8Confident83 Ų8375.3 Ų75.354%0.53936%0.356SS..G310 helixtrans-58.8-23.9172.925.2-35.3000112.4A552 R553P550-A552 VanDerWaalsContact C-N 3.31Å; P550-R553 PolarHBondContact O-N 2.78Å
551Y74.2Confident82.7Confident89 Ų8977.6 Ų77.635%0.34937%0.366SS..G310 helixtrans-75.5-16.8176.5-54.4-63.6000113.6Q450 S549 R553 D608 H612Q450-Y551 PolarHBondContact OE1-O 3.43Å; S549-Y551 PolarHBondContact O-N 2.85Å; S549-Y551 VanDerWaalsContact O-N 3.11Å; S549-Y551 VanDerWaalsContact OG-CD2 3.27Å; S549-Y551 WeakPolarHBondContact OG-CD2 3.23Å; S549-Y551 PolarHBondContact OG-N 3.03Å; Y551-R553 VanDerWaalsContact C-N 3.25Å; Y551-D608 HydrophobicContact CD1-CB 3.75Å; Y551-D608 HydrophobicContact CE1-CB 3.58Å; Y551-H612 HydrophobicContact CG-CB 4.36Å
552A64.6Low82.6Confident33 Ų3375.2 Ų75.227%0.27335%0.348SS..G310 helixtrans-76.7-14.9172.500000112.4Q547 S549 P550Q547-A552 WeakPolarHBondContact O-CB 3.37Å; S549-A552 VanDerWaalsContact O-CB 3.31Å; S549-A552 WeakPolarHBondContact O-CB 3.2Å; S549-A552 PolarHBondContact O-N 3.46Å; P550-A552 VanDerWaalsContact C-N 3.31Å
553R67.7Low82.5Confident197 Ų19773.8 Ų73.874%0.74334%0.342SS*.SBendtrans-98.9138.3174.1-63.3-175-175.1-178.22109.7P550 Y551 Q555P550-R553 PolarHBondContact O-N 2.78Å; Y551-R553 VanDerWaalsContact C-N 3.25Å; R553-Q555 PolarHBondContact O-N 2.88Å; R553-Q555 VanDerWaalsContact O-N 3.15Å
554R67.1Low82.5Confident105 Ų10575 Ų7540%0.39636%0.355SS..  trans-62.1117.1178-167.8-175.2166.4167.8-6.5108.8F447 G556 E560F447-R554 HydrophobicContact CD1-CB 4.16Å; F447-R554 HydrophobicContact CD1-CG 4.05Å; F447-R554 HydrophobicContact CE1-CB 3.63Å; F447-R554 HydrophobicContact CE1-CG 4.04Å; F447-R554 HydrophobicContact CE2-CB 4.3Å; F447-R554 HydrophobicContact CG-CG 4.44Å; F447-R554 HydrophobicContact CZ-CB 3.72Å; F447-R554 HydrophobicContact CZ-CG 4.42Å; F447-R554 VanDerWaalsContact CZ-N 3.32Å; R554-G556 PolarHBondContact O-N 2.82Å; R554-E560 IonicContact CZ-OE1 3.75Å; R554-E560 IonicContact NE-OE1 3.96Å; R554-E560 IonicContact NH2-OE1 2.88Å; R554-E560 PolarHBondContact NH2-OE1 3.37Å
555Q64.4Low82.6Confident80 Ų8076.6 Ų76.637%0.37436%0.359SS..  trans-78.833.6168.3-64.7-168.85.600111.6R553 D557 K558R553-Q555 PolarHBondContact O-N 2.88Å; R553-Q555 VanDerWaalsContact O-N 3.15Å; Q555-D557 PolarHBondContact O-N 3.31Å; Q555-D557 VanDerWaalsContact O-N 3.12Å; Q555-K558 PolarHBondContact O-N 3.02Å
556G60.3Low82.8Confident3 Ų370.4 Ų70.43%0.03133%0.33CS..Hα-helixtrans-61.1-26.9-167.400000113.5R554 K558 M559 E560R554-G556 PolarHBondContact O-N 2.82Å; G556-K558 VanDerWaalsContact C-N 3.25Å; G556-K558 PolarHBondContact O-N 3.14Å; G556-K558 VanDerWaalsContact O-N 3.16Å; G556-M559 PolarHBondContact O-N 3.09Å; G556-E560 WeakPolarHBondContact O-CB 3.41Å; G556-E560 VanDerWaalsContact O-CG 3.29Å; G556-E560 WeakPolarHBondContact O-CG 3.42Å; G556-E560 PolarHBondContact O-N 3.18Å
557D74.4Confident82.9Confident114 Ų11471.2 Ų71.261%0.6133%0.334SS*.Hα-helixtrans-55.7-38.1-176.2-59.6-3.2000112.5Q555 Q561Q555-D557 PolarHBondContact O-N 3.31Å; Q555-D557 VanDerWaalsContact O-N 3.12Å; D557-Q561 VanDerWaalsContact O-CB 3.31Å; D557-Q561 WeakPolarHBondContact O-CB 3.23Å; D557-Q561 VanDerWaalsContact O-CD 3.26Å; D557-Q561 WeakPolarHBondContact O-CG 3.45Å; D557-Q561 PolarHBondContact O-N 2.98Å; D557-Q561 PolarHBondContact O-NE2 3.06Å
558K86.6Confident83.1Confident104 Ų10471.5 Ų71.545%0.45234%0.339SS..Hα-helixtrans-77.3-41.6-175.7-167.758.1176.6178.30113.4Q555 G556 Q561 L562Q555-K558 PolarHBondContact O-N 3.02Å; G556-K558 VanDerWaalsContact C-N 3.25Å; G556-K558 PolarHBondContact O-N 3.14Å; G556-K558 VanDerWaalsContact O-N 3.16Å; K558-Q561 PolarHBondContact O-N 3.41Å; K558-L562 HydrophobicContact CG-CD1 4.48Å; K558-L562 WeakPolarHBondContact O-CG 3.46Å; K558-L562 PolarHBondContact O-N 3.46Å; K558-L562 VanDerWaalsContact O-N 3.08Å
559M88.7Confident83.4Confident2 Ų263.3 Ų63.31%0.0131%0.309CS..Hα-helixtrans-66.1-40.9175.8-74.3-65.3-70.500110.7L439 K440 Y443 G556 Q561 L562 E563 T598 N601 Q602L439-M559 HydrophobicContact CB-CE 4.19Å; K440-M559 HydrophobicContact CB-CB 4.3Å; K440-M559 HydrophobicContact CB-CE 3.96Å; K440-M559 HydrophobicContact CG-CB 3.99Å; Y443-M559 HydrophobicContact CD1-CG 4.46Å; G556-M559 PolarHBondContact O-N 3.09Å; M559-Q561 PolarHBondContact O-N 3.41Å; M559-L562 PolarHBondContact O-N 3.42Å; M559-E563 WeakPolarHBondContact O-CB 3.29Å; M559-E563 PolarHBondContact O-N 3.31Å; M559-T598 HydrophobicContact CE-CG2 3.85Å; M559-T598 HydrophobicContact SD-CG2 4.33Å; M559-N601 WeakPolarHBondContact CG-ND2 3.35Å; M559-N601 HydrophobicContact SD-CB 4.31Å; M559-N601 PolarHBondContact SD-ND2 3.23Å; M559-Q602 HydrophobicContact CE-CB 4.29Å; M559-Q602 HydrophobicContact SD-CB 4.49Å
560E91.1Very high83.9Confident78 Ų7862.8 Ų62.836%0.36430%0.304SS..Hα-helixtrans-64.9-37.3175.9-71.5169.4-16000112R554 G556 G564R554-E560 IonicContact CZ-OE1 3.75Å; R554-E560 IonicContact NE-OE1 3.96Å; R554-E560 IonicContact NH2-OE1 2.88Å; R554-E560 PolarHBondContact NH2-OE1 3.37Å; G556-E560 WeakPolarHBondContact O-CB 3.41Å; G556-E560 VanDerWaalsContact O-CG 3.29Å; G556-E560 WeakPolarHBondContact O-CG 3.42Å; G556-E560 PolarHBondContact O-N 3.18Å; E560-G564 PolarHBondContact O-N 2.68Å
561Q92.8Very high84.7Confident110 Ų11061.8 Ų61.851%0.51429%0.293SS..Hα-helixtrans-63.5-40.6172.1-78164.728.300112.9D557 K558 M559 K565D557-Q561 VanDerWaalsContact O-CB 3.31Å; D557-Q561 WeakPolarHBondContact O-CB 3.23Å; D557-Q561 VanDerWaalsContact O-CD 3.26Å; D557-Q561 WeakPolarHBondContact O-CG 3.45Å; D557-Q561 PolarHBondContact O-N 2.98Å; D557-Q561 PolarHBondContact O-NE2 3.06Å; K558-Q561 PolarHBondContact O-N 3.41Å; M559-Q561 PolarHBondContact O-N 3.41Å; Q561-K565 WeakPolarHBondContact O-CB 3.47Å; Q561-K565 PolarHBondContact O-N 2.93Å
562L93.3Very high85.5Confident12 Ų1263.6 Ų63.66%0.06331%0.305CS..Hα-helixtrans-69.7-40.2179.5-70.3170000111.4K558 M559 K565 A566 Q597 N601K558-L562 HydrophobicContact CG-CD1 4.48Å; K558-L562 WeakPolarHBondContact O-CG 3.46Å; K558-L562 PolarHBondContact O-N 3.46Å; K558-L562 VanDerWaalsContact O-N 3.08Å; M559-L562 PolarHBondContact O-N 3.42Å; L562-K565 PolarHBondContact O-N 3.22Å; L562-A566 PolarHBondContact O-N 2.86Å; L562-Q597 HydrophobicContact CD2-CB 4.02Å; L562-N601 HydrophobicContact CD1-CB 3.82Å
563E94.4Very high86.7Confident32 Ų3262.5 Ų62.515%0.1529%0.294CS..Hα-helixtrans-57.2-53.8169.8176.5-178.1-14400111.2I436 C437 K440 M559 K565 A566 I567I436-E563 HydrophobicContact CG2-CB 4.38Å; C437-E563 PolarHBondContact SG-OE1 2.97Å; K440-E563 WeakPolarHBondContact CD-OE2 3.43Å; K440-E563 IonicContact NZ-OE2 2.73Å; M559-E563 WeakPolarHBondContact O-CB 3.29Å; M559-E563 PolarHBondContact O-N 3.31Å; E563-K565 VanDerWaalsContact C-N 3.28Å; E563-K565 PolarHBondContact O-N 3.5Å; E563-A566 PolarHBondContact O-N 3.4Å; E563-A566 VanDerWaalsContact O-N 3.09Å; E563-I567 HydrophobicContact CG-CD1 3.89Å; E563-I567 WeakPolarHBondContact O-CG1 3.37Å; E563-I567 PolarHBondContact O-N 2.8Å
564G95.2Very high87.7Confident27 Ų2754.8 Ų54.828%0.27827%0.266SS..Hα-helixtrans-56.3-42.3178.500000112.5E560 A566 I567 D568E560-G564 PolarHBondContact O-N 2.68Å; G564-A566 PolarHBondContact O-N 3.14Å; G564-I567 WeakPolarHBondContact O-CB 3.22Å; G564-I567 PolarHBondContact O-N 3.4Å; G564-D568 WeakPolarHBondContact O-CB 3.38Å; G564-D568 VanDerWaalsContact O-CG 3.28Å; G564-D568 PolarHBondContact O-N 2.85Å
565K95.1Very high88.6Confident72 Ų7258.3 Ų58.331%0.31328%0.279SS..Hα-helixtrans-61.8-43.5175.9-175.5-178.5174.5-170.80112.5Q561 L562 E563 D568 I569Q561-K565 WeakPolarHBondContact O-CB 3.47Å; Q561-K565 PolarHBondContact O-N 2.93Å; L562-K565 PolarHBondContact O-N 3.22Å; E563-K565 VanDerWaalsContact C-N 3.28Å; E563-K565 PolarHBondContact O-N 3.5Å; K565-D568 PolarHBondContact O-N 2.77Å; K565-I569 HydrophobicContact CG-CD1 4.02Å; K565-I569 WeakPolarHBondContact O-CD1 3.48Å; K565-I569 VanDerWaalsContact O-CG1 3.24Å; K565-I569 WeakPolarHBondContact O-CG1 3.46Å; K565-I569 PolarHBondContact O-N 2.69Å
566A95.8Very high89.6Confident1 Ų157.7 Ų57.71%0.00828%0.281CS..Hα-helixtrans-64.8-41.5177.800000111.7V433 I436 L562 E563 G564 I569 Y570 A594V433-A566 HydrophobicContact CG2-CB 4.33Å; I436-A566 HydrophobicContact CD1-CB 3.55Å; I436-A566 HydrophobicContact CG2-CB 4.11Å; L562-A566 PolarHBondContact O-N 2.86Å; E563-A566 PolarHBondContact O-N 3.4Å; E563-A566 VanDerWaalsContact O-N 3.09Å; G564-A566 PolarHBondContact O-N 3.14Å; A566-I569 PolarHBondContact O-N 3.18Å; A566-Y570 PolarHBondContact O-N 3.26Å; A566-A594 HydrophobicContact CB-CB 4.42Å
567I95.7Very high90.5Very high31 Ų3159.3 Ų59.316%0.15929%0.291CS..Hα-helixtrans-59.4-46.2174.5-73.1173.6000111P111 V433 E563 G564 Y570 M571P111-I567 HydrophobicContact CB-CB 4.38Å; P111-I567 HydrophobicContact CB-CG1 4.17Å; P111-I567 HydrophobicContact CB-CG2 3.81Å; P111-I567 HydrophobicContact CG-CG2 3.87Å; V433-I567 HydrophobicContact CG1-CG1 3.97Å; E563-I567 HydrophobicContact CG-CD1 3.89Å; E563-I567 WeakPolarHBondContact O-CG1 3.37Å; E563-I567 PolarHBondContact O-N 2.8Å; G564-I567 WeakPolarHBondContact O-CB 3.22Å; G564-I567 PolarHBondContact O-N 3.4Å; I567-Y570 PolarHBondContact O-N 3.16Å; I567-M571 HydrophobicContact CG2-CG 4.47Å; I567-M571 WeakPolarHBondContact O-CB 3.44Å; I567-M571 WeakPolarHBondContact O-CG 3.49Å; I567-M571 PolarHBondContact O-N 3.28Å
568D95.5Very high90.5Very high111 Ų11162.2 Ų62.259%0.59430%0.298SS*.Hα-helixtrans-63.2-44.7179.7-74.1-24.5000112G564 K565 Y570 M571 Q572G564-D568 WeakPolarHBondContact O-CB 3.38Å; G564-D568 VanDerWaalsContact O-CG 3.28Å; G564-D568 PolarHBondContact O-N 2.85Å; K565-D568 PolarHBondContact O-N 2.77Å; D568-Y570 VanDerWaalsContact C-N 3.33Å; D568-Y570 PolarHBondContact O-N 3.06Å; D568-M571 PolarHBondContact O-N 2.92Å; D568-Q572 PolarHBondContact O-N 2.72Å
569I94.3Very high89.9Confident23 Ų2361.6 Ų61.612%0.11831%0.313CS..Hα-helixtrans-59-45.5176.1-69.5165.4000110.4W429 K565 A566 Q572 L573 E590 M591 A594W429-I569 HydrophobicContact CE3-CG2 3.92Å; W429-I569 HydrophobicContact CH2-CG2 4.05Å; W429-I569 HydrophobicContact CZ3-CG2 3.37Å; K565-I569 HydrophobicContact CG-CD1 4.02Å; K565-I569 WeakPolarHBondContact O-CD1 3.48Å; K565-I569 VanDerWaalsContact O-CG1 3.24Å; K565-I569 WeakPolarHBondContact O-CG1 3.46Å; K565-I569 PolarHBondContact O-N 2.69Å; A566-I569 PolarHBondContact O-N 3.18Å; I569-Q572 WeakPolarHBondContact O-CB 3.34Å; I569-Q572 PolarHBondContact O-N 2.79Å; I569-L573 PolarHBondContact O-N 3.13Å; I569-L573 VanDerWaalsContact O-N 3.08Å; I569-E590 HydrophobicContact CD1-CB 4.5Å; I569-M591 HydrophobicContact CB-CE 4.39Å; I569-M591 HydrophobicContact CG2-CE 3.97Å; I569-A594 HydrophobicContact CD1-CB 4.43Å
570Y94.6Very high88.5Confident11 Ų1163.4 Ų63.44%0.04333%0.328CS..Hα-helixtrans-68.5-37.1178.3178.8-127.7000112.8P111 C114 K426 W429 V433 A566 I567 D568 Q572 L573 K574P111-Y570 HydrophobicContact CB-CD1 3.97Å; P111-Y570 HydrophobicContact CB-CE1 4.44Å; P111-Y570 HydrophobicContact CG-CD1 4.44Å; C114-Y570 HydrophobicContact CB-CE1 4.09Å; K426-Y570 HydrophobicContact CG-CE2 4.11Å; K426-Y570 VanDerWaalsContact O-CE2 3.31Å; K426-Y570 WeakPolarHBondContact O-CE2 3.48Å; K426-Y570 PolarHBondContact O-OH 3.28Å; W429-Y570 HydrophobicContact CB-CD2 3.83Å; W429-Y570 HydrophobicContact CB-CE2 4.29Å; V433-Y570 HydrophobicContact CG2-CD1 4.2Å; V433-Y570 HydrophobicContact CG2-CG 4.06Å; A566-Y570 PolarHBondContact O-N 3.26Å; I567-Y570 PolarHBondContact O-N 3.16Å; D568-Y570 VanDerWaalsContact C-N 3.33Å; D568-Y570 PolarHBondContact O-N 3.06Å; Y570-Q572 VanDerWaalsContact C-N 3.32Å; Y570-Q572 PolarHBondContact O-N 2.86Å; Y570-L573 HydrophobicContact CD2-CD2 4.33Å; Y570-L573 WeakPolarHBondContact O-CB 3.45Å; Y570-L573 PolarHBondContact O-N 3.2Å; Y570-K574 HydrophobicContact CD1-CD 4.16Å; Y570-K574 HydrophobicContact CD2-CG 4.47Å; Y570-K574 HydrophobicContact CE1-CD 3.68Å; Y570-K574 HydrophobicContact CE1-CG 4.43Å; Y570-K574 HydrophobicContact CE2-CD 4.18Å; Y570-K574 HydrophobicContact CE2-CG 4.05Å; Y570-K574 PolarHBondContact O-N 3.34Å
571M92.8Very high86.9Confident62 Ų6267.4 Ų67.431%0.30535%0.352SS..Hα-helixtrans-63.2-39.2173.4-79.2-64.6-141.300112P111 I567 D568 K574 R575P111-M571 HydrophobicContact CG-CE 3.27Å; P111-M571 HydrophobicContact CG-CG 3.48Å; P111-M571 VanDerWaalsContact CG-CG 3.48Å; P111-M571 HydrophobicContact CG-SD 3.38Å; P111-M571 WeakPolarHBondContact CG-SD 3.36Å; I567-M571 HydrophobicContact CG2-CG 4.47Å; I567-M571 WeakPolarHBondContact O-CB 3.44Å; I567-M571 WeakPolarHBondContact O-CG 3.49Å; I567-M571 PolarHBondContact O-N 3.28Å; D568-M571 PolarHBondContact O-N 2.92Å; M571-K574 PolarHBondContact O-N 2.9Å; M571-K574 HydrophobicContact SD-CD 4.44Å; M571-R575 WeakPolarHBondContact O-CG 3.33Å; M571-R575 PolarHBondContact O-N 2.75Å
572Q91.7Very high85.1Confident128 Ų12866.7 Ų66.760%0.59836%0.359SS*.Hα-helixtrans-61-46.5174-171.9174.9000110.8D568 I569 Y570 K574 R575 T576D568-Q572 PolarHBondContact O-N 2.72Å; I569-Q572 WeakPolarHBondContact O-CB 3.34Å; I569-Q572 PolarHBondContact O-N 2.79Å; Y570-Q572 VanDerWaalsContact C-N 3.32Å; Y570-Q572 PolarHBondContact O-N 2.86Å; Q572-K574 VanDerWaalsContact C-N 3.35Å; Q572-K574 PolarHBondContact O-N 3.34Å; Q572-R575 PolarHBondContact O-N 3.13Å; Q572-R575 VanDerWaalsContact O-N 3.13Å; Q572-T576 PolarHBondContact O-N 3.26Å; Q572-T576 PolarHBondContact O-OG1 3.43Å; Q572-T576 VanDerWaalsContact O-OG1 3.09Å
573L90.3Very high83.7Confident10 Ų1073.2 Ų73.25%0.05239%0.394CS..Hα-helixtrans-56.6-47173.9-177.173.2000111.7L422 L425 K426 W429 I569 Y570 R575 T576 C577L422-L573 HydrophobicContact CD2-CD1 3.57Å; L425-L573 HydrophobicContact CB-CD1 4.49Å; L425-L573 HydrophobicContact CB-CD2 3.98Å; K426-L573 HydrophobicContact CB-CD2 4.45Å; W429-L573 HydrophobicContact CB-CD2 4.19Å; W429-L573 HydrophobicContact CD2-CD2 3.78Å; W429-L573 HydrophobicContact CE3-CB 3.9Å; W429-L573 HydrophobicContact CE3-CD2 3.55Å; W429-L573 HydrophobicContact CE3-CG 4.2Å; W429-L573 HydrophobicContact CG-CD2 4.09Å; W429-L573 HydrophobicContact CZ3-CB 3.83Å; W429-L573 HydrophobicContact CZ3-CD1 4.33Å; W429-L573 HydrophobicContact CZ3-CD2 4.1Å; W429-L573 HydrophobicContact CZ3-CG 4.3Å; I569-L573 PolarHBondContact O-N 3.13Å; I569-L573 VanDerWaalsContact O-N 3.08Å; Y570-L573 HydrophobicContact CD2-CD2 4.33Å; Y570-L573 WeakPolarHBondContact O-CB 3.45Å; Y570-L573 PolarHBondContact O-N 3.2Å; L573-R575 VanDerWaalsContact C-N 3.26Å; L573-R575 PolarHBondContact O-N 3.17Å; L573-T576 PolarHBondContact O-N 3.09Å; L573-C577 PolarHBondContact O-N 3.22Å; L573-C577 PolarHBondContact O-SG 3.37Å
574K86.9Confident82.9Confident35 Ų3572.8 Ų72.815%0.15240%0.399CS..Hα-helixtrans-61.3-32.8178.3-75.6177.572.3173.50112.8S109 Y570 M571 Q572 K578S109-K574 PolarHBondContact O-NZ 3.48Å; Y570-K574 HydrophobicContact CD1-CD 4.16Å; Y570-K574 HydrophobicContact CD2-CG 4.47Å; Y570-K574 HydrophobicContact CE1-CD 3.68Å; Y570-K574 HydrophobicContact CE1-CG 4.43Å; Y570-K574 HydrophobicContact CE2-CD 4.18Å; Y570-K574 HydrophobicContact CE2-CG 4.05Å; Y570-K574 PolarHBondContact O-N 3.34Å; M571-K574 PolarHBondContact O-N 2.9Å; M571-K574 HydrophobicContact SD-CD 4.44Å; Q572-K574 VanDerWaalsContact C-N 3.35Å; Q572-K574 PolarHBondContact O-N 3.34Å; K574-K578 WeakPolarHBondContact O-CG 3.36Å
575R87.1Confident82.4Confident178 Ų17876 Ų7667%0.67241%0.412SS*.Hα-helixtrans-71.3-45174.7-70173.4-1691674.2110.7M571 Q572 L573 C577 K578 A579M571-R575 WeakPolarHBondContact O-CG 3.33Å; M571-R575 PolarHBondContact O-N 2.75Å; Q572-R575 PolarHBondContact O-N 3.13Å; Q572-R575 VanDerWaalsContact O-N 3.13Å; L573-R575 VanDerWaalsContact C-N 3.26Å; L573-R575 PolarHBondContact O-N 3.17Å; R575-C577 PolarHBondContact O-N 2.88Å; R575-K578 WeakPolarHBondContact O-CB 3.29Å; R575-K578 PolarHBondContact O-N 3.15Å; R575-K578 VanDerWaalsContact O-N 3.11Å; R575-A579 PolarHBondContact O-N 3.23Å
576T85.3Confident82.2Confident68 Ų6874.9 Ų74.942%0.41741%0.414SS..Hα-helixtrans-60.5-44.3176.9-52.50000112Q572 L573 K578 A579 A580Q572-T576 PolarHBondContact O-N 3.26Å; Q572-T576 PolarHBondContact O-OG1 3.43Å; Q572-T576 VanDerWaalsContact O-OG1 3.09Å; L573-T576 PolarHBondContact O-N 3.09Å; T576-K578 PolarHBondContact O-N 3.41Å; T576-K578 VanDerWaalsContact O-N 3.14Å; T576-A579 PolarHBondContact O-N 3.12Å; T576-A580 PolarHBondContact O-N 3.37Å
577C79.8Confident81.9Confident36 Ų3678 Ų7824%0.24343%0.431CS..Hα-helixtrans-60.7-23176.4-63.30000113.8L573 R575L573-C577 PolarHBondContact O-N 3.22Å; L573-C577 PolarHBondContact O-SG 3.37Å; R575-C577 PolarHBondContact O-N 2.88Å
578K74.4Confident81.8Confident175 Ų17576.6 Ų76.676%0.76142%0.423SS*.Hα-helixtrans-87.5-21.4177-73.7178.1180-177.10112.8K574 R575 T576K574-K578 WeakPolarHBondContact O-CG 3.36Å; R575-K578 WeakPolarHBondContact O-CB 3.29Å; R575-K578 PolarHBondContact O-N 3.15Å; R575-K578 VanDerWaalsContact O-N 3.11Å; T576-K578 PolarHBondContact O-N 3.41Å; T576-K578 VanDerWaalsContact O-N 3.14Å
579A72.8Confident81.8Confident91 Ų9173 Ų7375%0.75241%0.407SS*.Hα-helixtrans-95.4-29.5-176.200000112.7R575 T576R575-A579 PolarHBondContact O-N 3.23Å; T576-A579 PolarHBondContact O-N 3.12Å
580A60.5Low81.8Confident41 Ų4176.7 Ų76.734%0.33942%0.424SS..SBendtrans-90.6131.5175.200000110.6T576 S582T576-A580 PolarHBondContact O-N 3.37Å; A580-S582 PolarHBondContact O-N 2.94Å
581D55.9Low81.8Confident161 Ų16176.1 Ų76.186%0.86142%0.422SS*.  trans-59128.3159.7-74.9-36.5000107.8D583D581-D583 PolarHBondContact O-N 3.16Å
582S56.8Low82Confident95 Ų9573.6 Ų73.666%0.66441%0.41SS*.SBendtrans-17.2-10.7-170.450.30000124.2A580A580-S582 PolarHBondContact O-N 2.94Å
583D63.4Low82.2Confident150 Ų15072.2 Ų72.280%0.80240%0.401SS*.  trans-98.310.7-168.4-86.13000115.5D581D581-D583 PolarHBondContact O-N 3.16Å
584G77.3Confident82.5Confident23 Ų2371.8 Ų71.824%0.23740%0.399CS..  trans-68.4144.8175.300000113.1L422L422-G584 VanDerWaalsContact CG-O 3.32Å; L422-G584 WeakPolarHBondContact CG-O 3.16Å; L422-G584 PolarHBondContact N-O 3.28Å; L422-G584 VanDerWaalsContact N-O 3.1Å
585T85.1Confident82.9Confident93 Ų9370.4 Ų70.457%0.57139%0.394SS*.EExtended strand (participates in β ladder)trans-124.9153169.8660000110.7S419 L420S419-T585 WeakPolarHBondContact OG-CB 3.31Å; S419-T585 PolarHBondContact OG-OG1 3.04Å; S419-T585 VanDerWaalsContact OG-OG1 3.1Å; L420-T585 VanDerWaalsContact O-CA 3.32Å; L420-T585 WeakPolarHBondContact O-CA 3.4Å
586S89.3Confident83.2Confident49 Ų4965.3 Ų65.334%0.34338%0.379SS..EExtended strand (participates in β ladder)trans-153162.6177.6-163.30000111.1S419 L420 L425S419-S586 WeakPolarHBondContact CA-O 3.42Å; L420-S586 PolarHBondContact N-O 3.25Å; L420-S586 PolarHBondContact O-N 3.38Å; L420-S586 VanDerWaalsContact O-N 3.11Å; L425-S586 WeakPolarHBondContact CD1-O 3.33Å
587D91.3Very high83.7Confident68 Ų6865.3 Ų65.336%0.36437%0.374SS..  trans-94.1168.6174.876.958000112W429 S589W429-D587 WeakPolarHBondContact CZ2-O 3.47Å; D587-S589 WeakPolarHBondContact OD1-CB 3.4Å; D587-S589 PolarHBondContact OD1-N 2.94Å; D587-S589 PolarHBondContact OD1-OG 3.42Å
588S93.8Very high84.3Confident0 Ų063.7 Ų63.70%036%0.363CS..  trans-10314-176.8-67.70000114.2S416 L425 W429 E590 M591 V592S416-S588 PolarHBondContact O-N 3.19Å; L425-S588 VanDerWaalsContact CD2-OG 3.28Å; L425-S588 WeakPolarHBondContact CD2-OG 3.29Å; W429-S588 PolarHBondContact NE1-OG 3.04Å; S588-E590 PolarHBondContact O-N 2.86Å; S588-M591 PolarHBondContact O-N 3.27Å; S588-V592 WeakPolarHBondContact O-CB 3.47Å; S588-V592 VanDerWaalsContact O-CG2 3.25Å; S588-V592 WeakPolarHBondContact O-CG2 2.91Å; S588-V592 PolarHBondContact O-N 3.19Å
589S94.1Very high85.2Confident36 Ų3657.4 Ų57.425%0.25234%0.34SS..Hα-helixtrans-59.7-43.6-169.6-54.60000113.4S416 D587 K593S416-S589 PolarHBondContact O-N 2.86Å; S416-S589 PolarHBondContact O-OG 3.43Å; D587-S589 WeakPolarHBondContact OD1-CB 3.4Å; D587-S589 PolarHBondContact OD1-N 2.94Å; D587-S589 PolarHBondContact OD1-OG 3.42Å; S589-K593 WeakPolarHBondContact O-CB 3.41Å; S589-K593 PolarHBondContact O-N 3.46Å
590E94.1Very high86.1Confident100 Ų10059.1 Ų59.147%0.46733%0.332SS..Hα-helixtrans-68.9-39.5179.9-74.6-60.6134.300112.6I569 S588 K593 A594I569-E590 HydrophobicContact CD1-CB 4.5Å; S588-E590 PolarHBondContact O-N 2.86Å; E590-K593 PolarHBondContact O-N 3.12Å; E590-A594 PolarHBondContact O-N 3Å; E590-A594 VanDerWaalsContact O-N 3.08Å
591M95.9Very high87.5Confident0 Ų058.6 Ų58.60%032%0.324CS..Hα-helixtrans-68.4-44.3176.3-176.455.673.300111W429 A432 V433 I436 I569 S588 K593 A594 I595W429-M591 HydrophobicContact CB-CE 4.04Å; W429-M591 HydrophobicContact CD2-CB 3.88Å; W429-M591 HydrophobicContact CD2-CE 3.96Å; W429-M591 HydrophobicContact CD2-CG 4.12Å; W429-M591 HydrophobicContact CE3-CB 4.36Å; W429-M591 HydrophobicContact CE3-CE 3.77Å; W429-M591 HydrophobicContact CG-CB 4.25Å; W429-M591 HydrophobicContact CG-CE 4.1Å; W429-M591 HydrophobicContact CG-CG 4.02Å; W429-M591 HydrophobicContact CZ2-CB 4.07Å; A432-M591 HydrophobicContact CB-CG 3.87Å; A432-M591 HydrophobicContact CB-SD 3.95Å; V433-M591 HydrophobicContact CG2-CE 3.89Å; I436-M591 HydrophobicContact CD1-SD 4.46Å; I569-M591 HydrophobicContact CB-CE 4.39Å; I569-M591 HydrophobicContact CG2-CE 3.97Å; S588-M591 PolarHBondContact O-N 3.27Å; M591-K593 VanDerWaalsContact C-N 3.28Å; M591-K593 PolarHBondContact O-N 3.32Å; M591-A594 WeakPolarHBondContact O-CA 3.47Å; M591-A594 WeakPolarHBondContact O-CB 3.48Å; M591-A594 PolarHBondContact O-N 2.84Å; M591-I595 HydrophobicContact CG-CD1 4.36Å; M591-I595 WeakPolarHBondContact O-CG1 3.29Å; M591-I595 PolarHBondContact O-N 2.96Å
592V95.9Very high89.1Confident9 Ų951.4 Ų51.46%0.05529%0.285CS..Hα-helixtrans-59.9-40.4175.8171.60000111.1I412 V413 S588 A594 I595 I596I412-V592 HydrophobicContact CD1-CG2 4.35Å; I412-V592 HydrophobicContact CG1-CG2 4.35Å; I412-V592 VanDerWaalsContact O-CG2 3.27Å; I412-V592 WeakPolarHBondContact O-CG2 3.33Å; V413-V592 HydrophobicContact CG2-CG1 4.42Å; V413-V592 HydrophobicContact CG2-CG2 4.29Å; S588-V592 WeakPolarHBondContact O-CB 3.47Å; S588-V592 VanDerWaalsContact O-CG2 3.25Å; S588-V592 WeakPolarHBondContact O-CG2 2.91Å; S588-V592 PolarHBondContact O-N 3.19Å; V592-A594 VanDerWaalsContact C-N 3.34Å; V592-A594 PolarHBondContact O-N 3.39Å; V592-I595 PolarHBondContact O-N 2.98Å; V592-I596 HydrophobicContact CG1-CD1 3.75Å; V592-I596 HydrophobicContact CG1-CG1 4.36Å; V592-I596 WeakPolarHBondContact O-CG1 3.44Å; V592-I596 PolarHBondContact O-N 2.97Å
593K95.9Very high90.6Very high98 Ų9850.9 Ų50.943%0.42627%0.274SS..Hα-helixtrans-60.6-41.5173.2-174.6178.3-178.8179.90112.1S589 E590 M591 Q597S589-K593 WeakPolarHBondContact O-CB 3.41Å; S589-K593 PolarHBondContact O-N 3.46Å; E590-K593 PolarHBondContact O-N 3.12Å; M591-K593 VanDerWaalsContact C-N 3.28Å; M591-K593 PolarHBondContact O-N 3.32Å; K593-Q597 WeakPolarHBondContact O-CB 3.26Å; K593-Q597 WeakPolarHBondContact O-CG 3.04Å; K593-Q597 PolarHBondContact O-N 2.61Å
594A96.1Very high91.8Very high1 Ų149.1 Ų49.11%0.00826%0.259CS..Hα-helixtrans-64.4-42.4175.500000112.1I436 A566 I569 E590 M591 V592 T598I436-A594 HydrophobicContact CD1-CB 4.26Å; A566-A594 HydrophobicContact CB-CB 4.42Å; I569-A594 HydrophobicContact CD1-CB 4.43Å; E590-A594 PolarHBondContact O-N 3Å; E590-A594 VanDerWaalsContact O-N 3.08Å; M591-A594 WeakPolarHBondContact O-CA 3.47Å; M591-A594 WeakPolarHBondContact O-CB 3.48Å; M591-A594 PolarHBondContact O-N 2.84Å; V592-A594 VanDerWaalsContact C-N 3.34Å; V592-A594 PolarHBondContact O-N 3.39Å; A594-T598 WeakPolarHBondContact O-CB 3.33Å; A594-T598 PolarHBondContact O-N 2.87Å; A594-T598 PolarHBondContact O-OG1 3.44Å
595I95.6Very high92.3Very high6 Ų648.2 Ų48.23%0.03125%0.25CC..Hα-helixtrans-58.7-54.3175.4-64166.5000110.3L405 V409 V413 A432 Y435 I436 M591 V592 Q597 T598 V599L405-I595 HydrophobicContact CD1-CG2 4.5Å; V409-I595 HydrophobicContact CG1-CD1 3.61Å; V413-I595 HydrophobicContact CG2-CD1 4.01Å; V413-I595 HydrophobicContact CG2-CG2 4.43Å; A432-I595 HydrophobicContact CB-CD1 3.86Å; A432-I595 HydrophobicContact CB-CG1 4.33Å; Y435-I595 HydrophobicContact CE1-CG2 4.27Å; I436-I595 HydrophobicContact CD1-CG1 3.99Å; I436-I595 HydrophobicContact CG1-CG1 4.46Å; M591-I595 HydrophobicContact CG-CD1 4.36Å; M591-I595 WeakPolarHBondContact O-CG1 3.29Å; M591-I595 PolarHBondContact O-N 2.96Å; V592-I595 PolarHBondContact O-N 2.98Å; I595-Q597 VanDerWaalsContact C-N 3.35Å; I595-Q597 PolarHBondContact O-N 3.16Å; I595-T598 PolarHBondContact O-N 2.94Å; I595-T598 VanDerWaalsContact O-N 3.13Å; I595-V599 HydrophobicContact CG2-CG2 4.39Å; I595-V599 WeakPolarHBondContact O-CG2 3.43Å; I595-V599 PolarHBondContact O-N 3.41Å
596I94.3Very high92.4Very high72 Ų7245 Ų4537%0.36923%0.228SC..Hα-helixtrans-59.9-45.5-177.5-67.4168.9000110.8V592 T598 V599 Q600V592-I596 HydrophobicContact CG1-CD1 3.75Å; V592-I596 HydrophobicContact CG1-CG1 4.36Å; V592-I596 WeakPolarHBondContact O-CG1 3.44Å; V592-I596 PolarHBondContact O-N 2.97Å; I596-T598 VanDerWaalsContact C-N 3.29Å; I596-T598 PolarHBondContact O-N 2.82Å; I596-V599 PolarHBondContact O-N 3.44Å; I596-Q600 HydrophobicContact CG2-CG 4.3Å; I596-Q600 WeakPolarHBondContact O-CB 3.28Å; I596-Q600 VanDerWaalsContact O-CG 3.28Å; I596-Q600 WeakPolarHBondContact O-CG 3.14Å; I596-Q600 PolarHBondContact O-N 3.28Å
597Q95.1Very high92.3Very high68 Ų6850.4 Ų50.432%0.31824%0.242SC..Hα-helixtrans-61-39.2177.8-75179.7-1600112.1L562 K593 I595 N601L562-Q597 HydrophobicContact CD2-CB 4.02Å; K593-Q597 WeakPolarHBondContact O-CB 3.26Å; K593-Q597 WeakPolarHBondContact O-CG 3.04Å; K593-Q597 PolarHBondContact O-N 2.61Å; I595-Q597 VanDerWaalsContact C-N 3.35Å; I595-Q597 PolarHBondContact O-N 3.16Å; Q597-N601 VanDerWaalsContact O-CB 3.29Å; Q597-N601 WeakPolarHBondContact O-CB 3.15Å; Q597-N601 PolarHBondContact O-N 2.94Å
598T93.6Very high92.2Very high1 Ų149 Ų491%0.00623%0.234CC..Hα-helixtrans-67.4-47.8178-53.10000111.4I436 L439 M559 A594 I595 I596 N601 Q602I436-T598 HydrophobicContact CG1-CG2 4.42Å; I436-T598 HydrophobicContact CG2-CG2 4.03Å; L439-T598 HydrophobicContact CB-CG2 4.34Å; L439-T598 HydrophobicContact CD1-CG2 3.84Å; M559-T598 HydrophobicContact CE-CG2 3.85Å; M559-T598 HydrophobicContact SD-CG2 4.33Å; A594-T598 WeakPolarHBondContact O-CB 3.33Å; A594-T598 PolarHBondContact O-N 2.87Å; A594-T598 PolarHBondContact O-OG1 3.44Å; I595-T598 PolarHBondContact O-N 2.94Å; I595-T598 VanDerWaalsContact O-N 3.13Å; I596-T598 VanDerWaalsContact C-N 3.29Å; I596-T598 PolarHBondContact O-N 2.82Å; T598-N601 PolarHBondContact O-N 3.15Å; T598-Q602 VanDerWaalsContact O-CB 3.29Å; T598-Q602 WeakPolarHBondContact O-CB 3.24Å; T598-Q602 PolarHBondContact O-N 2.74Å
599V92.7Very high92.1Very high44 Ų4449.2 Ų49.227%0.26724%0.235SC..Hα-helixtrans-61.4-47.2178.61740000111.1Y435 L439 I595 I596 N601 Q602 D603Y435-V599 HydrophobicContact CE1-CG2 3.99Å; L439-V599 HydrophobicContact CD1-CG2 3.91Å; I595-V599 HydrophobicContact CG2-CG2 4.39Å; I595-V599 WeakPolarHBondContact O-CG2 3.43Å; I595-V599 PolarHBondContact O-N 3.41Å; I596-V599 PolarHBondContact O-N 3.44Å; V599-N601 VanDerWaalsContact C-N 3.34Å; V599-N601 PolarHBondContact O-N 2.74Å; V599-Q602 WeakPolarHBondContact O-CB 3.3Å; V599-Q602 PolarHBondContact O-N 3.49Å; V599-D603 PolarHBondContact O-N 3.04Å
600Q91.4Very high91.9Very high127 Ų12747.8 Ų47.859%0.59322%0.224SC*.Hα-helixtrans-61.3-41.2177.8-73176.5-12.200112.6I596 K604I596-Q600 HydrophobicContact CG2-CG 4.3Å; I596-Q600 WeakPolarHBondContact O-CB 3.28Å; I596-Q600 VanDerWaalsContact O-CG 3.28Å; I596-Q600 WeakPolarHBondContact O-CG 3.14Å; I596-Q600 PolarHBondContact O-N 3.28Å; Q600-K604 PolarHBondContact O-N 3.28Å
601N90.2Very high91.8Very high30 Ų3046.7 Ų46.716%0.1622%0.224CC..Hα-helixtrans-67.7-40.9176.7-171.177.3000111.1M559 L562 Q597 T598 V599 K604 V605M559-N601 WeakPolarHBondContact CG-ND2 3.35Å; M559-N601 HydrophobicContact SD-CB 4.31Å; M559-N601 PolarHBondContact SD-ND2 3.23Å; L562-N601 HydrophobicContact CD1-CB 3.82Å; Q597-N601 VanDerWaalsContact O-CB 3.29Å; Q597-N601 WeakPolarHBondContact O-CB 3.15Å; Q597-N601 PolarHBondContact O-N 2.94Å; T598-N601 PolarHBondContact O-N 3.15Å; V599-N601 VanDerWaalsContact C-N 3.34Å; V599-N601 PolarHBondContact O-N 2.74Å; N601-K604 WeakPolarHBondContact O-CB 3.34Å; N601-K604 PolarHBondContact O-N 2.9Å; N601-V605 WeakPolarHBondContact O-CG2 3.39Å; N601-V605 PolarHBondContact O-N 2.98Å
602Q89.1Confident91.6Very high9 Ų946.9 Ų46.94%0.04223%0.225CC..Hα-helixtrans-57.9-50.9176.8-177.767.9-300111.3L439 M559 T598 V599 K604 V605 L606L439-Q602 PolarHBondContact O-NE2 2.65Å; M559-Q602 HydrophobicContact CE-CB 4.29Å; M559-Q602 HydrophobicContact SD-CB 4.49Å; T598-Q602 VanDerWaalsContact O-CB 3.29Å; T598-Q602 WeakPolarHBondContact O-CB 3.24Å; T598-Q602 PolarHBondContact O-N 2.74Å; V599-Q602 WeakPolarHBondContact O-CB 3.3Å; V599-Q602 PolarHBondContact O-N 3.49Å; Q602-K604 PolarHBondContact O-N 3.08Å; Q602-V605 VanDerWaalsContact O-CG2 3.31Å; Q602-V605 WeakPolarHBondContact O-CG2 3.25Å; Q602-V605 PolarHBondContact O-N 3.2Å; Q602-L606 HydrophobicContact CG-CD1 3.81Å; Q602-L606 HydrophobicContact CG-CG 4.16Å; Q602-L606 WeakPolarHBondContact O-CB 3.35Å; Q602-L606 VanDerWaalsContact O-CG 3.25Å; Q602-L606 WeakPolarHBondContact O-CG 3.49Å; Q602-L606 PolarHBondContact O-N 3.41Å
603D87.6Confident91.6Very high84 Ų8446.4 Ų46.445%0.44922%0.222SC..Hα-helixtrans-57.8-39.4178.5-70.7-19.8000111.9V599 R607V599-D603 PolarHBondContact O-N 3.04Å; D603-R607 WeakPolarHBondContact O-CG 3.42Å; D603-R607 PolarHBondContact O-N 2.94Å; D603-R607 VanDerWaalsContact O-N 3.12Å
604K88.5Confident91.5Very high113 Ų11342.3 Ų42.349%0.49121%0.206SC..Hα-helixtrans-63.8-54.8176.1-176.1-173.8174.9-173.20111.6Q600 N601 Q602 L606 R607 D608Q600-K604 PolarHBondContact O-N 3.28Å; N601-K604 WeakPolarHBondContact O-CB 3.34Å; N601-K604 PolarHBondContact O-N 2.9Å; Q602-K604 PolarHBondContact O-N 3.08Å; K604-L606 VanDerWaalsContact C-N 3.28Å; K604-L606 PolarHBondContact O-N 3.01Å; K604-R607 PolarHBondContact O-N 2.83Å; K604-D608 PolarHBondContact O-N 2.91Å; K604-D608 VanDerWaalsContact O-N 3.14Å
605V87.8Confident91.5Very high5 Ų547.7 Ų47.73%0.0323%0.229CC..Hα-helixtrans-68.1-29.5-176-61.10000112.4Y443 N601 Q602 L609Y443-V605 HydrophobicContact CD2-CB 4.33Å; Y443-V605 HydrophobicContact CD2-CG2 3.6Å; Y443-V605 HydrophobicContact CE2-CB 3.71Å; Y443-V605 HydrophobicContact CE2-CG2 3.49Å; Y443-V605 VanDerWaalsContact CE2-CG2 3.49Å; Y443-V605 HydrophobicContact CG-CG2 4.23Å; N601-V605 WeakPolarHBondContact O-CG2 3.39Å; N601-V605 PolarHBondContact O-N 2.98Å; Q602-V605 VanDerWaalsContact O-CG2 3.31Å; Q602-V605 WeakPolarHBondContact O-CG2 3.25Å; Q602-V605 PolarHBondContact O-N 3.2Å; V605-L609 VanDerWaalsContact O-CB 3.25Å; V605-L609 WeakPolarHBondContact O-CB 3.43Å; V605-L609 PolarHBondContact O-N 3.17Å
606L87.9Confident91.5Very high24 Ų2447.4 Ų47.413%0.12623%0.228CC..Hα-helixtrans-67.4-46.8173.4-73.1-179000111.3Y443 L446 Q602 K604 D608 L609 Y610Y443-L606 HydrophobicContact CD2-CD2 4.14Å; L446-L606 HydrophobicContact CD1-CD2 3.46Å; L446-L606 VanDerWaalsContact CD1-CD2 3.46Å; Q602-L606 HydrophobicContact CG-CD1 3.81Å; Q602-L606 HydrophobicContact CG-CG 4.16Å; Q602-L606 WeakPolarHBondContact O-CB 3.35Å; Q602-L606 VanDerWaalsContact O-CG 3.25Å; Q602-L606 WeakPolarHBondContact O-CG 3.49Å; Q602-L606 PolarHBondContact O-N 3.41Å; K604-L606 VanDerWaalsContact C-N 3.28Å; K604-L606 PolarHBondContact O-N 3.01Å; L606-D608 VanDerWaalsContact C-N 3.28Å; L606-D608 PolarHBondContact O-N 3.12Å; L606-L609 WeakPolarHBondContact O-CB 3.47Å; L606-L609 PolarHBondContact O-N 3.25Å; L606-L609 VanDerWaalsContact O-N 3.17Å; L606-Y610 HydrophobicContact CD2-CE2 4.4Å; L606-Y610 VanDerWaalsContact O-CD2 3.24Å; L606-Y610 WeakPolarHBondContact O-CD2 3.42Å; L606-Y610 PolarHBondContact O-N 2.85Å
607R88.4Confident91.6Very high164 Ų16444.8 Ų44.862%0.61921%0.214SC*.Hα-helixtrans-56.8-44.2175.3-75.3-174.5-57.1-136.3-0.1112.1D603 K604 Y610 T611D603-R607 WeakPolarHBondContact O-CG 3.42Å; D603-R607 PolarHBondContact O-N 2.94Å; D603-R607 VanDerWaalsContact O-N 3.12Å; K604-R607 PolarHBondContact O-N 2.83Å; R607-Y610 PolarHBondContact O-N 2.85Å; R607-T611 WeakPolarHBondContact O-CB 3.44Å; R607-T611 PolarHBondContact O-N 3.11Å; R607-T611 PolarHBondContact O-OG1 3.33Å
608D88.3Confident91.6Very high37 Ų3744 Ų4420%0.19821%0.214CC..Hα-helixtrans-62.8-44.4177.3-72.5-11.1000111.4Y551 K604 L606 T611 H612Y551-D608 HydrophobicContact CD1-CB 3.75Å; Y551-D608 HydrophobicContact CE1-CB 3.58Å; K604-D608 PolarHBondContact O-N 2.91Å; K604-D608 VanDerWaalsContact O-N 3.14Å; L606-D608 VanDerWaalsContact C-N 3.28Å; L606-D608 PolarHBondContact O-N 3.12Å; D608-T611 PolarHBondContact O-N 2.73Å; D608-H612 PolarHBondContact O-N 3.35Å
609L90.8Very high91.8Very high5 Ų543.9 Ų43.93%0.02621%0.214CC..Hα-helixtrans-59.2-48.1177.1-179.8154.2000111.8Y443 L446 F447 Q450 V605 L606 H612 L613Y443-L609 HydrophobicContact CD2-CD1 4.28Å; Y443-L609 HydrophobicContact CE2-CD1 3.87Å; L446-L609 HydrophobicContact CB-CD1 4.02Å; L446-L609 HydrophobicContact CB-CD2 4.5Å; F447-L609 HydrophobicContact CB-CD1 4.11Å; Q450-L609 HydrophobicContact CB-CG 4.44Å; Q450-L609 PolarHBondContact NE2-O 3.23Å; V605-L609 VanDerWaalsContact O-CB 3.25Å; V605-L609 WeakPolarHBondContact O-CB 3.43Å; V605-L609 PolarHBondContact O-N 3.17Å; L606-L609 WeakPolarHBondContact O-CB 3.47Å; L606-L609 PolarHBondContact O-N 3.25Å; L606-L609 VanDerWaalsContact O-N 3.17Å; L609-H612 PolarHBondContact O-N 3.28Å; L609-L613 WeakPolarHBondContact O-CB 3.19Å; L609-L613 PolarHBondContact O-N 3.34Å
610Y91.7Very high92Very high7 Ų742.2 Ų42.23%0.02720%0.203CC..Hα-helixtrans-74.1-30.9-178-80.8-73000113.3M319 Y396 L400 L446 L606 R607 H612 L613 S614M319-Y610 WeakPolarHBondContact O-CE1 3.4Å; M319-Y610 PolarHBondContact O-OH 3.28Å; M319-Y610 VanDerWaalsContact O-OH 3.13Å; Y396-Y610 VanDerWaalsContact CB-CD1 3.48Å; Y396-Y610 AromaticContact CD1-CD1 3.88Å; Y396-Y610 HydrophobicContact CD1-CD1 3.88Å; Y396-Y610 AromaticContact CD1-CE1 3.75Å; Y396-Y610 HydrophobicContact CD1-CE1 3.75Å; Y396-Y610 HydrophobicContact CG-CD1 4.06Å; Y396-Y610 HydrophobicContact CG-CE1 4.4Å; L400-Y610 HydrophobicContact CD1-CD2 3.49Å; L400-Y610 VanDerWaalsContact CD1-CD2 3.49Å; L400-Y610 HydrophobicContact CD1-CE2 3.03Å; L400-Y610 HydrophobicContact CD1-CG 4.46Å; L400-Y610 HydrophobicContact CD2-CE1 4.12Å; L400-Y610 HydrophobicContact CD2-CE2 3.9Å; L400-Y610 WeakPolarHBondContact CD2-OH 3.35Å; L400-Y610 HydrophobicContact CG-CE2 4.05Å; L446-Y610 HydrophobicContact CD1-CE2 4.47Å; L446-Y610 VanDerWaalsContact CD2-OH 3.25Å; L446-Y610 WeakPolarHBondContact CD2-OH 3.43Å; L606-Y610 HydrophobicContact CD2-CE2 4.4Å; L606-Y610 VanDerWaalsContact O-CD2 3.24Å; L606-Y610 WeakPolarHBondContact O-CD2 3.42Å; L606-Y610 PolarHBondContact O-N 2.85Å; R607-Y610 PolarHBondContact O-N 2.85Å; Y610-H612 VanDerWaalsContact C-N 3.33Å; Y610-L613 HydrophobicContact CD1-CD2 3.91Å; Y610-L613 HydrophobicContact CE1-CD2 3.95Å; Y610-L613 PolarHBondContact O-N 2.67Å; Y610-S614 WeakPolarHBondContact O-CB 3.25Å; Y610-S614 PolarHBondContact O-N 3.14Å; Y610-S614 PolarHBondContact O-OG 3.02Å
611T91.3Very high92.2Very high76 Ų7639.2 Ų39.247%0.46619%0.189SC..Hα-helixtrans-60.4-47170-60.30000110.4R607 D608 S614 K615R607-T611 WeakPolarHBondContact O-CB 3.44Å; R607-T611 PolarHBondContact O-N 3.11Å; R607-T611 PolarHBondContact O-OG1 3.33Å; D608-T611 PolarHBondContact O-N 2.73Å; T611-S614 PolarHBondContact O-N 2.87Å; T611-K615 PolarHBondContact O-N 3.15Å
612H92.4Very high92.5Very high4 Ų441.7 Ų41.72%0.01920%0.198CC..Hα-helixtrans-69.8-39.8178.3-176.3-113.3000112.1Q450 L546 Y551 D608 L609 Y610 S614 K615 I616Q450-H612 PolarHBondContact NE2-ND1 3.42Å; Q450-H612 VanDerWaalsContact NE2-ND1 3.14Å; L546-H612 PolarHBondContact O-NE2 2.94Å; Y551-H612 HydrophobicContact CG-CB 4.36Å; D608-H612 PolarHBondContact O-N 3.35Å; L609-H612 PolarHBondContact O-N 3.28Å; Y610-H612 VanDerWaalsContact C-N 3.33Å; H612-S614 VanDerWaalsContact C-N 3.33Å; H612-S614 PolarHBondContact O-N 3.14Å; H612-K615 PolarHBondContact O-N 3.15Å; H612-I616 WeakPolarHBondContact O-CG1 3.3Å; H612-I616 PolarHBondContact O-N 2.86Å
613L94.2Very high92.9Very high0 Ų041.3 Ų41.30%020%0.196CC..Hα-helixtrans-59.3-43.5174.6179.358.8000111.8M319 F389 Y396 Q450 A453 L609 Y610 K615 I616 L617M319-L613 HydrophobicContact CE-CD2 4.1Å; F389-L613 HydrophobicContact CE1-CD1 3.81Å; F389-L613 HydrophobicContact CE1-CD2 4.08Å; F389-L613 HydrophobicContact CE1-CG 4.49Å; Y396-L613 HydrophobicContact CD1-CD2 4.34Å; Q450-L613 HydrophobicContact CG-CB 4.29Å; Q450-L613 HydrophobicContact CG-CD1 4.35Å; A453-L613 HydrophobicContact CB-CD1 3.77Å; L609-L613 WeakPolarHBondContact O-CB 3.19Å; L609-L613 PolarHBondContact O-N 3.34Å; Y610-L613 HydrophobicContact CD1-CD2 3.91Å; Y610-L613 HydrophobicContact CE1-CD2 3.95Å; Y610-L613 PolarHBondContact O-N 2.67Å; L613-K615 VanDerWaalsContact C-N 3.27Å; L613-K615 PolarHBondContact O-N 2.83Å; L613-I616 WeakPolarHBondContact O-CB 3.32Å; L613-I616 PolarHBondContact O-N 2.93Å; L613-I616 VanDerWaalsContact O-N 3.1Å; L613-L617 HydrophobicContact CD1-CD1 4.22Å; L613-L617 HydrophobicContact CD1-CD2 4.45Å; L613-L617 HydrophobicContact CD1-CG 4.09Å; L613-L617 HydrophobicContact CG-CD1 4.08Å; L613-L617 HydrophobicContact CG-CG 4.36Å; L613-L617 WeakPolarHBondContact O-CG 3.4Å; L613-L617 PolarHBondContact O-N 3.28Å
614S95.3Very high93.2Very high11 Ų1140.1 Ų40.18%0.07719%0.189CC..Hα-helixtrans-61-37.8179-58.60000112T394 Y396 Y610 T611 H612 L617 T618T394-S614 WeakPolarHBondContact O-CA 3.46Å; T394-S614 VanDerWaalsContact O-CB 3.27Å; T394-S614 WeakPolarHBondContact O-CB 3.5Å; Y396-S614 PolarHBondContact N-OG 3.34Å; Y610-S614 WeakPolarHBondContact O-CB 3.25Å; Y610-S614 PolarHBondContact O-N 3.14Å; Y610-S614 PolarHBondContact O-OG 3.02Å; T611-S614 PolarHBondContact O-N 2.87Å; H612-S614 VanDerWaalsContact C-N 3.33Å; H612-S614 PolarHBondContact O-N 3.14Å; S614-L617 PolarHBondContact O-N 2.79Å; S614-T618 WeakPolarHBondContact O-CB 3.44Å; S614-T618 PolarHBondContact O-N 2.97Å; S614-T618 PolarHBondContact O-OG1 3.01Å
615K95Very high93.5Very high114 Ų11439 Ų3950%0.49619%0.188SC..Hα-helixtrans-65.1-44.7173.2-66.4-179.7-179.2-174.90111.9L546 T611 H612 L613 L617 T618 S619L546-K615 HydrophobicContact CD1-CB 4.31Å; L546-K615 HydrophobicContact CD2-CB 3.67Å; L546-K615 HydrophobicContact CD2-CD 3.89Å; L546-K615 HydrophobicContact CD2-CG 4.42Å; T611-K615 PolarHBondContact O-N 3.15Å; H612-K615 PolarHBondContact O-N 3.15Å; L613-K615 VanDerWaalsContact C-N 3.27Å; L613-K615 PolarHBondContact O-N 2.83Å; K615-L617 VanDerWaalsContact C-N 3.34Å; K615-L617 PolarHBondContact O-N 2.76Å; K615-T618 PolarHBondContact O-N 2.47Å; K615-S619 PolarHBondContact O-N 2.73Å; K615-S619 PolarHBondContact O-OG 3.41Å; K615-S619 VanDerWaalsContact O-OG 3.05Å
616I95.8Very high93.9Very high1 Ų138.9 Ų38.91%0.00519%0.188CC..Hα-helixtrans-55.9-49.4175.8-66.7166.6000110.6Q450 A453 M454 L457 H612 L613 S619 K620Q450-I616 HydrophobicContact CG-CD1 3.85Å; A453-I616 HydrophobicContact CB-CG2 4.07Å; M454-I616 HydrophobicContact CB-CD1 4.13Å; M454-I616 HydrophobicContact CE-CD1 3.72Å; M454-I616 HydrophobicContact CE-CG1 3.68Å; M454-I616 HydrophobicContact SD-CG1 4.5Å; L457-I616 HydrophobicContact CB-CG2 4.11Å; L457-I616 HydrophobicContact CD2-CB 4.38Å; L457-I616 HydrophobicContact CD2-CG2 3.85Å; H612-I616 WeakPolarHBondContact O-CG1 3.3Å; H612-I616 PolarHBondContact O-N 2.86Å; L613-I616 WeakPolarHBondContact O-CB 3.32Å; L613-I616 PolarHBondContact O-N 2.93Å; L613-I616 VanDerWaalsContact O-N 3.1Å; I616-S619 PolarHBondContact O-N 3.28Å; I616-K620 WeakPolarHBondContact O-CB 3.42Å; I616-K620 PolarHBondContact O-N 2.75Å
617L95.8Very high94.2Very high16 Ų1639.6 Ų39.68%0.08419%0.19CC..Hα-helixtrans-67.4-37.7-178.8-63.2178.1000111.7F389 Y396 L613 S614 K615 K620 Q621F389-L617 HydrophobicContact CD1-CD1 4.28Å; F389-L617 HydrophobicContact CD1-CD2 4.16Å; Y396-L617 HydrophobicContact CD2-CD1 3.74Å; Y396-L617 HydrophobicContact CE2-CD1 3.17Å; L613-L617 HydrophobicContact CD1-CD1 4.22Å; L613-L617 HydrophobicContact CD1-CD2 4.45Å; L613-L617 HydrophobicContact CD1-CG 4.09Å; L613-L617 HydrophobicContact CG-CD1 4.08Å; L613-L617 HydrophobicContact CG-CG 4.36Å; L613-L617 WeakPolarHBondContact O-CG 3.4Å; L613-L617 PolarHBondContact O-N 3.28Å; S614-L617 PolarHBondContact O-N 2.79Å; K615-L617 VanDerWaalsContact C-N 3.34Å; K615-L617 PolarHBondContact O-N 2.76Å; L617-K620 WeakPolarHBondContact O-CB 3.28Å; L617-K620 PolarHBondContact O-N 3.17Å; L617-Q621 PolarHBondContact O-N 2.91Å
618T96.8Very high94.6Very high51 Ų5135.6 Ų35.631%0.31319%0.185SC..Hα-helixtrans-62.2-47.8173.4-59.10000111.5S614 K615 K620 Q621 K622S614-T618 WeakPolarHBondContact O-CB 3.44Å; S614-T618 PolarHBondContact O-N 2.97Å; S614-T618 PolarHBondContact O-OG1 3.01Å; K615-T618 PolarHBondContact O-N 2.47Å; T618-K620 VanDerWaalsContact C-N 3.26Å; T618-K620 PolarHBondContact O-N 2.93Å; T618-Q621 PolarHBondContact O-N 3.43Å; T618-K622 WeakPolarHBondContact O-CG 3.48Å; T618-K622 PolarHBondContact O-N 3.31Å
619S96.7Very high94.9Very high0 Ų038.4 Ų38.40%019%0.193CC..Hα-helixtrans-62.6-35.8176.3-52.80000111.3E542 L546 K615 I616 K622 I623E542-S619 PolarHBondContact OE1-OG 3.25Å; L546-S619 VanDerWaalsContact CD1-OG 3.3Å; L546-S619 WeakPolarHBondContact CD1-OG 3.42Å; K615-S619 PolarHBondContact O-N 2.73Å; K615-S619 PolarHBondContact O-OG 3.41Å; K615-S619 VanDerWaalsContact O-OG 3.05Å; I616-S619 PolarHBondContact O-N 3.28Å; S619-K622 PolarHBondContact O-N 3.48Å; S619-I623 WeakPolarHBondContact O-CG1 3.31Å; S619-I623 PolarHBondContact O-N 3.11Å; S619-I623 VanDerWaalsContact O-N 3.13Å
620K96.2Very high95.1Very high9 Ų938.2 Ų38.24%0.03919%0.192CC..Hα-helixtrans-63.5-44.6174.2-173.8175.2176.5173.20111.9E354 S456 L457 I616 L617 T618 K622 I623 I624E354-K620 IonicContact OE1-NZ 2.65Å; E354-K620 PolarHBondContact OE1-NZ 3.32Å; E354-K620 IonicContact OE2-NZ 2.78Å; E354-K620 PolarHBondContact OE2-NZ 3.26Å; S456-K620 PolarHBondContact OG-NZ 3.47Å; L457-K620 HydrophobicContact CD1-CB 3.93Å; I616-K620 WeakPolarHBondContact O-CB 3.42Å; I616-K620 PolarHBondContact O-N 2.75Å; L617-K620 WeakPolarHBondContact O-CB 3.28Å; L617-K620 PolarHBondContact O-N 3.17Å; T618-K620 VanDerWaalsContact C-N 3.26Å; T618-K620 PolarHBondContact O-N 2.93Å; K620-K622 VanDerWaalsContact C-N 3.34Å; K620-K622 PolarHBondContact O-N 3.35Å; K620-I623 WeakPolarHBondContact O-CB 3.41Å; K620-I623 PolarHBondContact O-N 3.31Å; K620-I623 VanDerWaalsContact O-N 3.16Å; K620-I624 HydrophobicContact CG-CD1 4.14Å; K620-I624 WeakPolarHBondContact O-CG1 3.38Å; K620-I624 PolarHBondContact O-N 2.92Å
621Q96.1Very high95.2Very high63 Ų6343.9 Ų43.929%0.29422%0.219SC..Hα-helixtrans-60.8-43.7176.4-171.3594600111.3T394 L617 T618 I623 I624 D625T394-Q621 HydrophobicContact CG2-CB 4.11Å; L617-Q621 PolarHBondContact O-N 2.91Å; T618-Q621 PolarHBondContact O-N 3.43Å; Q621-I623 VanDerWaalsContact C-N 3.28Å; Q621-I623 PolarHBondContact O-N 2.8Å; Q621-I624 WeakPolarHBondContact O-CA 3.44Å; Q621-I624 WeakPolarHBondContact O-CB 3.36Å; Q621-I624 PolarHBondContact O-N 3.28Å; Q621-D625 PolarHBondContact NE2-OD1 3.44Å; Q621-D625 VanDerWaalsContact O-CG 3.24Å; Q621-D625 PolarHBondContact O-N 3.34Å
622K96.7Very high95.3Very high83 Ų8347.3 Ų47.336%0.36123%0.227SC..Hα-helixtrans-55.9-40.6174-67.7174.1-178.7170.70112.5L539 E542 T618 S619 K620 L626L539-K622 HydrophobicContact CD1-CB 4Å; L539-K622 HydrophobicContact CD1-CD 3.73Å; L539-K622 HydrophobicContact CD2-CB 3.8Å; E542-K622 IonicContact OE1-NZ 2.64Å; E542-K622 PolarHBondContact OE1-NZ 3.31Å; E542-K622 IonicContact OE2-NZ 3.66Å; E542-K622 PolarHBondContact OE2-NZ 2.72Å; T618-K622 WeakPolarHBondContact O-CG 3.48Å; T618-K622 PolarHBondContact O-N 3.31Å; S619-K622 PolarHBondContact O-N 3.48Å; K620-K622 VanDerWaalsContact C-N 3.34Å; K620-K622 PolarHBondContact O-N 3.35Å; K622-L626 VanDerWaalsContact O-CG 3.3Å; K622-L626 WeakPolarHBondContact O-CG 3.19Å; K622-L626 PolarHBondContact O-N 3.05Å
623I96.9Very high95.4Very high0 Ų048.7 Ų48.70%024%0.236CC..Hα-helixtrans-64-45.4174.6-62.9178.4000110.9L457 Y460 N461 L464 L539 I543 S619 K620 Q621 D625 L626 F627L457-I623 HydrophobicContact CD1-CD1 3.59Å; Y460-I623 HydrophobicContact CD1-CG2 4.22Å; N461-I623 HydrophobicContact CB-CD1 4.08Å; L464-I623 HydrophobicContact CB-CG2 4.02Å; L464-I623 HydrophobicContact CD1-CG2 4.4Å; L464-I623 HydrophobicContact CD2-CB 4.37Å; L464-I623 HydrophobicContact CD2-CG1 3.95Å; L464-I623 HydrophobicContact CD2-CG2 4.01Å; L464-I623 HydrophobicContact CG-CG2 4.38Å; L539-I623 HydrophobicContact CD2-CG1 3.62Å; L539-I623 HydrophobicContact CG-CG1 4.41Å; I543-I623 HydrophobicContact CD1-CD1 3.77Å; I543-I623 HydrophobicContact CD1-CG1 4.36Å; S619-I623 WeakPolarHBondContact O-CG1 3.31Å; S619-I623 PolarHBondContact O-N 3.11Å; S619-I623 VanDerWaalsContact O-N 3.13Å; K620-I623 WeakPolarHBondContact O-CB 3.41Å; K620-I623 PolarHBondContact O-N 3.31Å; K620-I623 VanDerWaalsContact O-N 3.16Å; Q621-I623 VanDerWaalsContact C-N 3.28Å; Q621-I623 PolarHBondContact O-N 2.8Å; I623-D625 VanDerWaalsContact C-N 3.29Å; I623-D625 PolarHBondContact O-N 2.74Å; I623-L626 WeakPolarHBondContact O-CB 3.5Å; I623-L626 PolarHBondContact O-N 3.12Å; I623-L626 VanDerWaalsContact O-N 3.14Å; I623-F627 HydrophobicContact CG2-CD2 4.23Å; I623-F627 HydrophobicContact CG2-CE2 3.57Å; I623-F627 HydrophobicContact CG2-CZ 3.94Å; I623-F627 WeakPolarHBondContact O-CD2 3.34Å; I623-F627 PolarHBondContact O-N 2.76Å
624I94.9Very high95.5Very high60 Ų6049.9 Ų49.931%0.30824%0.242SC..Hα-helixtrans-59.8-42.6-179.5-68167.4000110.5Y460 K620 Q621 L626 F627 P628Y460-I624 HydrophobicContact CD1-CG1 4.25Å; Y460-I624 HydrophobicContact CE1-CD1 4.34Å; Y460-I624 HydrophobicContact CE1-CG1 3.9Å; K620-I624 HydrophobicContact CG-CD1 4.14Å; K620-I624 WeakPolarHBondContact O-CG1 3.38Å; K620-I624 PolarHBondContact O-N 2.92Å; Q621-I624 WeakPolarHBondContact O-CA 3.44Å; Q621-I624 WeakPolarHBondContact O-CB 3.36Å; Q621-I624 PolarHBondContact O-N 3.28Å; I624-L626 VanDerWaalsContact C-N 3.25Å; I624-L626 PolarHBondContact O-N 3.32Å; I624-F627 PolarHBondContact O-N 3.15Å; I624-P628 VanDerWaalsContact O-CD 3.24Å; I624-P628 WeakPolarHBondContact O-CD 3.45Å
625D95.3Very high95.5Very high88 Ų8855.3 Ų55.347%0.47127%0.266SS..Hα-helixtrans-68.7-22.9179.2-61.3-20.5000113Q621 I623Q621-D625 PolarHBondContact NE2-OD1 3.44Å; Q621-D625 VanDerWaalsContact O-CG 3.24Å; Q621-D625 PolarHBondContact O-N 3.34Å; I623-D625 VanDerWaalsContact C-N 3.29Å; I623-D625 PolarHBondContact O-N 2.74Å
626L96.1Very high95.5Very high3 Ų352.2 Ų52.22%0.01626%0.259CS..Hα-helixtrans-79.3-29.8176.8-76.1168.5000113.4L464 L532 E535 I536 L539 K622 I623 I624 R629 I630L464-L626 HydrophobicContact CD1-CB 4.21Å; L464-L626 HydrophobicContact CD2-CD1 4.21Å; L532-L626 HydrophobicContact CD2-CD2 4.46Å; E535-L626 HydrophobicContact CG-CD2 4.22Å; I536-L626 HydrophobicContact CG1-CD1 4.16Å; L539-L626 HydrophobicContact CD2-CD1 3.66Å; K622-L626 VanDerWaalsContact O-CG 3.3Å; K622-L626 WeakPolarHBondContact O-CG 3.19Å; K622-L626 PolarHBondContact O-N 3.05Å; I623-L626 WeakPolarHBondContact O-CB 3.5Å; I623-L626 PolarHBondContact O-N 3.12Å; I623-L626 VanDerWaalsContact O-N 3.14Å; I624-L626 VanDerWaalsContact C-N 3.25Å; I624-L626 PolarHBondContact O-N 3.32Å; L626-R629 WeakPolarHBondContact O-CB 3.42Å; L626-R629 PolarHBondContact O-N 3.14Å; L626-I630 HydrophobicContact CB-CD1 4.41Å; L626-I630 WeakPolarHBondContact O-CG1 3.49Å; L626-I630 PolarHBondContact O-N 3.38Å
627F94.4Very high95.5Very high40 Ų4052.2 Ų52.218%0.17526%0.259CS..Hα-helixtrans-57.3-51-176-79.2-59.7000113.6Y460 N463 L464 I623 I624 R629 I630 E631Y460-F627 AromaticContact CD1-CE2 3.92Å; Y460-F627 HydrophobicContact CD1-CE2 3.92Å; Y460-F627 HydrophobicContact CE1-CE2 4.34Å; N463-F627 HydrophobicContact CB-CZ 4.24Å; L464-F627 HydrophobicContact CB-CE1 4.49Å; L464-F627 HydrophobicContact CB-CZ 4.38Å; L464-F627 HydrophobicContact CD1-CE1 4.31Å; I623-F627 HydrophobicContact CG2-CD2 4.23Å; I623-F627 HydrophobicContact CG2-CE2 3.57Å; I623-F627 HydrophobicContact CG2-CZ 3.94Å; I623-F627 WeakPolarHBondContact O-CD2 3.34Å; I623-F627 PolarHBondContact O-N 2.76Å; I624-F627 PolarHBondContact O-N 3.15Å; F627-R629 PolarHBondContact O-N 2.91Å; F627-I630 PolarHBondContact O-N 3.13Å; F627-I630 VanDerWaalsContact O-N 3.15Å; F627-E631 WeakPolarHBondContact O-CG 3.32Å; F627-E631 PolarHBondContact O-N 2.95Å
628P95.4Very high95.5Very high79 Ų7956.3 Ų56.351%0.51328%0.276SS..Hα-helixtrans-62-32.6179.6-23.134.1000113I624 K632I624-P628 VanDerWaalsContact O-CD 3.24Å; I624-P628 WeakPolarHBondContact O-CD 3.45Å; P628-K632 WeakPolarHBondContact O-CB 3.16Å; P628-K632 PolarHBondContact O-N 2.97Å
629R95.3Very high95.4Very high96 Ų9658.2 Ų58.236%0.36228%0.284SS..Hα-helixtrans-67.7-43.5177.2-66169.862.8-161-5.6110.8L532 E535 L626 F627 T633L532-R629 HydrophobicContact CD2-CB 4.42Å; E535-R629 VanDerWaalsContact CD-NH1 3.33Å; E535-R629 IonicContact OE1-CZ 2.79Å; E535-R629 IonicContact OE1-NH1 3.75Å; E535-R629 PolarHBondContact OE1-NH1 3.16Å; E535-R629 IonicContact OE1-NH2 2.71Å; E535-R629 IonicContact OE2-CZ 3.59Å; E535-R629 VanDerWaalsContact OE2-CZ 3.3Å; E535-R629 IonicContact OE2-NH1 3.3Å; E535-R629 PolarHBondContact OE2-NH1 2.9Å; E535-R629 VanDerWaalsContact OE2-NH1 3.1Å; E535-R629 IonicContact OE2-NH2 3.72Å; E535-R629 PolarHBondContact OE2-NH2 2.93Å; L626-R629 WeakPolarHBondContact O-CB 3.42Å; L626-R629 PolarHBondContact O-N 3.14Å; F627-R629 PolarHBondContact O-N 2.91Å; R629-T633 PolarHBondContact O-N 2.92Å; R629-T633 VanDerWaalsContact O-N 3.08Å; R629-T633 PolarHBondContact O-OG1 2.88Å
630I94.3Very high95.4Very high1 Ų158.3 Ų58.31%0.00529%0.285CS..Hα-helixtrans-65.5-44.2176.7-65.4165.5000110.8L464 C467 M471 I536 L626 F627 T633 L634L464-I630 HydrophobicContact CD1-CD1 3.36Å; C467-I630 HydrophobicContact CB-CG2 4.11Å; M471-I630 HydrophobicContact CB-CG2 4.37Å; M471-I630 HydrophobicContact SD-CG1 4.48Å; M471-I630 HydrophobicContact SD-CG2 4.15Å; I536-I630 HydrophobicContact CD1-CD1 3.69Å; I536-I630 HydrophobicContact CD1-CG1 4.22Å; L626-I630 HydrophobicContact CB-CD1 4.41Å; L626-I630 WeakPolarHBondContact O-CG1 3.49Å; L626-I630 PolarHBondContact O-N 3.38Å; F627-I630 PolarHBondContact O-N 3.13Å; F627-I630 VanDerWaalsContact O-N 3.15Å; I630-T633 PolarHBondContact O-N 3.4Å; I630-L634 HydrophobicContact CG2-CD1 3.92Å; I630-L634 HydrophobicContact CG2-CG 4.4Å; I630-L634 WeakPolarHBondContact O-CB 3.31Å; I630-L634 WeakPolarHBondContact O-CG 3.4Å; I630-L634 PolarHBondContact O-N 3.41Å
631E93.9Very high95.3Very high126 Ų12659 Ų5959%0.58929%0.29SS*.Hα-helixtrans-60.2-46.9178.1-73.6176.6172.900111.7F627 T633 L634 E635F627-E631 WeakPolarHBondContact O-CG 3.32Å; F627-E631 PolarHBondContact O-N 2.95Å; E631-T633 PolarHBondContact O-N 3.39Å; E631-L634 WeakPolarHBondContact O-CB 3.35Å; E631-L634 PolarHBondContact O-N 2.82Å; E631-E635 PolarHBondContact O-N 3.31Å
632K94.7Very high95.3Very high149 Ų14960.5 Ų60.565%0.64830%0.3SS*.Hα-helixtrans-61.6-41.2176.7-175.5178.2179.6-179.40112.7P628 E635 S636P628-K632 WeakPolarHBondContact O-CB 3.16Å; P628-K632 PolarHBondContact O-N 2.97Å; K632-E635 PolarHBondContact O-N 3.24Å; K632-S636 WeakPolarHBondContact O-CB 3.49Å; K632-S636 PolarHBondContact O-N 3.39Å; K632-S636 PolarHBondContact O-OG 3.09Å
633T94.8Very high95.2Very high32 Ų3259 Ų5920%0.19630%0.297CS..Hα-helixtrans-64.8-43.5175.9-61.60000111M471 V529 L532 R629 I630 E631 E635 S636 I637M471-T633 HydrophobicContact CG-CG2 4.29Å; M471-T633 HydrophobicContact SD-CG2 3.98Å; V529-T633 HydrophobicContact CG1-CG2 3.78Å; L532-T633 HydrophobicContact CD1-CG2 4.26Å; L532-T633 WeakPolarHBondContact CD1-OG1 3.46Å; R629-T633 PolarHBondContact O-N 2.92Å; R629-T633 VanDerWaalsContact O-N 3.08Å; R629-T633 PolarHBondContact O-OG1 2.88Å; I630-T633 PolarHBondContact O-N 3.4Å; E631-T633 PolarHBondContact O-N 3.39Å; T633-E635 PolarHBondContact O-N 2.95Å; T633-S636 PolarHBondContact O-N 3.3Å; T633-I637 HydrophobicContact CG2-CD1 3.85Å; T633-I637 HydrophobicContact CG2-CG1 4.43Å; T633-I637 VanDerWaalsContact O-CG1 3.27Å; T633-I637 WeakPolarHBondContact O-CG1 3.24Å; T633-I637 PolarHBondContact O-N 3.05Å
634L94.3Very high95.1Very high26 Ų2659.1 Ų59.114%0.13630%0.298CS..Hα-helixtrans-60.2-42.5175.8-82.9170.1000112.7M471 F474 I630 E631 I637 K638M471-L634 HydrophobicContact CB-CD2 3.92Å; M471-L634 HydrophobicContact CB-CG 4.12Å; M471-L634 HydrophobicContact CG-CD2 4.36Å; M471-L634 HydrophobicContact CG-CG 4.37Å; F474-L634 HydrophobicContact CB-CD2 4.5Å; F474-L634 HydrophobicContact CD2-CD2 3.55Å; F474-L634 HydrophobicContact CE2-CD2 4.26Å; F474-L634 HydrophobicContact CG-CD2 4.42Å; I630-L634 HydrophobicContact CG2-CD1 3.92Å; I630-L634 HydrophobicContact CG2-CG 4.4Å; I630-L634 WeakPolarHBondContact O-CB 3.31Å; I630-L634 WeakPolarHBondContact O-CG 3.4Å; I630-L634 PolarHBondContact O-N 3.41Å; E631-L634 WeakPolarHBondContact O-CB 3.35Å; E631-L634 PolarHBondContact O-N 2.82Å; L634-I637 PolarHBondContact O-N 2.84Å; L634-K638 VanDerWaalsContact O-CG 3.29Å; L634-K638 WeakPolarHBondContact O-CG 3.3Å; L634-K638 PolarHBondContact O-N 3.47Å
635E95.3Very high95.2Very high124 Ų12460.2 Ų60.258%0.57930%0.303SS*.Hα-helixtrans-62.4-47.3175.5-171.1170.6-154.300110.8E631 K632 T633 I637 K638 D639E631-E635 PolarHBondContact O-N 3.31Å; K632-E635 PolarHBondContact O-N 3.24Å; T633-E635 PolarHBondContact O-N 2.95Å; E635-I637 VanDerWaalsContact C-N 3.34Å; E635-I637 PolarHBondContact O-N 3.32Å; E635-K638 PolarHBondContact O-N 3.02Å; E635-K638 VanDerWaalsContact O-N 3.17Å; E635-D639 PolarHBondContact O-N 3.43Å
636S95.8Very high95.1Very high49 Ų4961.8 Ų61.834%0.34331%0.307SS..Hα-helixtrans-60.4-41.3177.6-55.20000112.6K632 T633 D639 A640K632-S636 WeakPolarHBondContact O-CB 3.49Å; K632-S636 PolarHBondContact O-N 3.39Å; K632-S636 PolarHBondContact O-OG 3.09Å; T633-S636 PolarHBondContact O-N 3.3Å; S636-D639 PolarHBondContact O-N 2.73Å; S636-A640 WeakPolarHBondContact O-CB 3.45Å; S636-A640 PolarHBondContact O-N 3.02Å
637I95.8Very high95Very high2 Ų262.2 Ų62.21%0.0131%0.31CS..Hα-helixtrans-63.8-45176.4-70.9166.3000110.5M471 F474 L478 V526 V529 T633 L634 E635 D639 A640 D641M471-I637 HydrophobicContact CG-CD1 4.37Å; F474-I637 HydrophobicContact CB-CG2 3.79Å; L478-I637 HydrophobicContact CB-CG2 4.14Å; L478-I637 HydrophobicContact CD2-CB 4.4Å; L478-I637 HydrophobicContact CD2-CG1 4.43Å; L478-I637 HydrophobicContact CD2-CG2 3.99Å; V526-I637 HydrophobicContact CG1-CG1 4.17Å; V529-I637 HydrophobicContact CG1-CD1 3.84Å; T633-I637 HydrophobicContact CG2-CD1 3.85Å; T633-I637 HydrophobicContact CG2-CG1 4.43Å; T633-I637 VanDerWaalsContact O-CG1 3.27Å; T633-I637 WeakPolarHBondContact O-CG1 3.24Å; T633-I637 PolarHBondContact O-N 3.05Å; L634-I637 PolarHBondContact O-N 2.84Å; E635-I637 VanDerWaalsContact C-N 3.34Å; E635-I637 PolarHBondContact O-N 3.32Å; I637-D639 PolarHBondContact O-N 2.99Å; I637-A640 PolarHBondContact O-N 2.97Å; I637-D641 VanDerWaalsContact O-CB 3.27Å; I637-D641 WeakPolarHBondContact O-CB 3.09Å; I637-D641 PolarHBondContact O-N 3.34Å
638K94.9Very high95Very high101 Ų10161.7 Ų61.744%0.43931%0.308SS..Hα-helixtrans-64-40.2178.9-74.5173-179.3178.10112L634 E635 D641 N642L634-K638 VanDerWaalsContact O-CG 3.29Å; L634-K638 WeakPolarHBondContact O-CG 3.3Å; L634-K638 PolarHBondContact O-N 3.47Å; E635-K638 PolarHBondContact O-N 3.02Å; E635-K638 VanDerWaalsContact O-N 3.17Å; K638-D641 PolarHBondContact O-N 3.42Å; K638-N642 WeakPolarHBondContact O-CB 3.35Å; K638-N642 VanDerWaalsContact O-CG 3.3Å; K638-N642 PolarHBondContact O-N 2.91Å; K638-N642 PolarHBondContact O-ND2 2.99Å; K638-N642 VanDerWaalsContact O-ND2 3.1Å
639D95.9Very high94.9Very high91 Ų9161.2 Ų61.249%0.48730%0.3SS..Hα-helixtrans-66.9-43177.7-75.4-11.1000111.9E635 S636 I637 T643E635-D639 PolarHBondContact O-N 3.43Å; S636-D639 PolarHBondContact O-N 2.73Å; I637-D639 PolarHBondContact O-N 2.99Å; D639-T643 WeakPolarHBondContact O-CB 3.5Å; D639-T643 PolarHBondContact O-N 3.39Å; D639-T643 PolarHBondContact O-OG1 3.41Å
640A95.7Very high94.7Very high2 Ų262.4 Ų62.42%0.01731%0.308CS..Hα-helixtrans-61.9-45.7173.800000111.4L478 F523 V526 S636 I637 N642 T643 V644L478-A640 HydrophobicContact CD1-CB 4.12Å; L478-A640 HydrophobicContact CD2-CB 3.81Å; F523-A640 HydrophobicContact CB-CB 4.13Å; F523-A640 HydrophobicContact CD1-CB 3.6Å; F523-A640 HydrophobicContact CD2-CB 4.38Å; F523-A640 HydrophobicContact CE1-CB 4.03Å; F523-A640 HydrophobicContact CG-CB 3.8Å; V526-A640 HydrophobicContact CG1-CB 4.3Å; S636-A640 WeakPolarHBondContact O-CB 3.45Å; S636-A640 PolarHBondContact O-N 3.02Å; I637-A640 PolarHBondContact O-N 2.97Å; A640-N642 PolarHBondContact O-N 2.8Å; A640-T643 PolarHBondContact O-N 2.89Å; A640-V644 VanDerWaalsContact O-CG2 3.28Å; A640-V644 WeakPolarHBondContact O-CG2 3.3Å; A640-V644 PolarHBondContact O-N 3.15Å
641D95.3Very high94.6Very high25 Ų2562.3 Ų62.313%0.13431%0.307CS..Hα-helixtrans-56.3-51.7177.2-173.492.6000111.7L478 K481 I637 K638 T643 V644 M645L478-D641 HydrophobicContact CD1-CB 4.21Å; K481-D641 WeakPolarHBondContact CD-OD1 3.23Å; K481-D641 WeakPolarHBondContact CE-OD1 3.35Å; K481-D641 IonicContact NZ-OD1 2.97Å; K481-D641 PolarHBondContact NZ-OD1 3.39Å; K481-D641 IonicContact NZ-OD2 3.32Å; K481-D641 PolarHBondContact NZ-OD2 2.96Å; I637-D641 VanDerWaalsContact O-CB 3.27Å; I637-D641 WeakPolarHBondContact O-CB 3.09Å; I637-D641 PolarHBondContact O-N 3.34Å; K638-D641 PolarHBondContact O-N 3.42Å; D641-T643 VanDerWaalsContact C-N 3.3Å; D641-T643 PolarHBondContact O-N 3.05Å; D641-V644 PolarHBondContact O-N 2.92Å; D641-M645 VanDerWaalsContact O-CG 3.3Å; D641-M645 WeakPolarHBondContact O-CG 3.17Å; D641-M645 PolarHBondContact O-N 2.78Å
642N95.4Very high94.5Very high94 Ų9458.9 Ų58.950%0.50329%0.291SS..Hα-helixtrans-59.6-42.4177-76.1-37.4000111.6K638 A640 M645 Q646K638-N642 WeakPolarHBondContact O-CB 3.35Å; K638-N642 VanDerWaalsContact O-CG 3.3Å; K638-N642 PolarHBondContact O-N 2.91Å; K638-N642 PolarHBondContact O-ND2 2.99Å; K638-N642 VanDerWaalsContact O-ND2 3.1Å; A640-N642 PolarHBondContact O-N 2.8Å; N642-M645 PolarHBondContact O-N 3.22Å; N642-Q646 WeakPolarHBondContact O-CG 3.48Å; N642-Q646 PolarHBondContact O-N 3.13Å
643T95.5Very high94.2Very high51 Ų5158.6 Ų58.631%0.31329%0.29SS..Hα-helixtrans-66.5-44.8-178.5-56.70000111.6F523 D639 A640 D641 M645 Q646 M647F523-T643 HydrophobicContact CE2-CG2 3.78Å; F523-T643 HydrophobicContact CZ-CG2 3.79Å; D639-T643 WeakPolarHBondContact O-CB 3.5Å; D639-T643 PolarHBondContact O-N 3.39Å; D639-T643 PolarHBondContact O-OG1 3.41Å; A640-T643 PolarHBondContact O-N 2.89Å; D641-T643 VanDerWaalsContact C-N 3.3Å; D641-T643 PolarHBondContact O-N 3.05Å; T643-M645 VanDerWaalsContact C-N 3.31Å; T643-M645 PolarHBondContact O-N 3.34Å; T643-Q646 PolarHBondContact O-N 2.95Å; T643-M647 HydrophobicContact CG2-CG 4.38Å; T643-M647 HydrophobicContact CG2-SD 3.76Å; T643-M647 WeakPolarHBondContact O-CB 3.2Å; T643-M647 VanDerWaalsContact O-CG 3.23Å; T643-M647 WeakPolarHBondContact O-CG 3.48Å; T643-M647 PolarHBondContact O-N 3.4Å
644V95Very high93.8Very high3 Ų359.1 Ų59.12%0.01829%0.29CS..Hα-helixtrans-59.8-43.4176172.30000110.8L478 L482 F485 F523 A640 D641 Q646 M647 Q648L478-V644 HydrophobicContact CD1-CG2 4.47Å; L482-V644 HydrophobicContact CD2-CG1 4.39Å; L482-V644 HydrophobicContact CD2-CG2 3.47Å; L482-V644 VanDerWaalsContact CD2-CG2 3.47Å; L482-V644 HydrophobicContact CG-CG2 4.27Å; F485-V644 HydrophobicContact CB-CG1 3.84Å; F485-V644 HydrophobicContact CD2-CG1 4.26Å; F485-V644 HydrophobicContact CG-CG1 4.02Å; F523-V644 HydrophobicContact CD2-CG2 3.66Å; F523-V644 HydrophobicContact CE2-CG2 4.17Å; A640-V644 VanDerWaalsContact O-CG2 3.28Å; A640-V644 WeakPolarHBondContact O-CG2 3.3Å; A640-V644 PolarHBondContact O-N 3.15Å; D641-V644 PolarHBondContact O-N 2.92Å; V644-Q646 PolarHBondContact O-N 2.92Å; V644-M647 PolarHBondContact O-N 2.98Å; V644-Q648 PolarHBondContact O-N 3.12Å
645M95.5Very high93.3Very high82 Ų8260.3 Ų60.340%0.40429%0.294SS..Hα-helixtrans-61-44.6175.9-71-63-66.500111.9K481 D641 N642 T643 Q648 I649K481-M645 HydrophobicContact CD-CG 4.45Å; K481-M645 HydrophobicContact CD-SD 4.12Å; D641-M645 VanDerWaalsContact O-CG 3.3Å; D641-M645 WeakPolarHBondContact O-CG 3.17Å; D641-M645 PolarHBondContact O-N 2.78Å; N642-M645 PolarHBondContact O-N 3.22Å; T643-M645 VanDerWaalsContact C-N 3.31Å; T643-M645 PolarHBondContact O-N 3.34Å; M645-Q648 PolarHBondContact O-N 3.22Å; M645-I649 VanDerWaalsContact O-CG1 3.27Å; M645-I649 WeakPolarHBondContact O-CG1 3.43Å; M645-I649 PolarHBondContact O-N 3.24Å
646Q94.6Very high92.8Very high122 Ų12260.6 Ų60.657%0.5729%0.29SS*.Hα-helixtrans-66.2-39.4176.8-68.2-53.7-40.900112.5N642 T643 V644 I649 K650N642-Q646 WeakPolarHBondContact O-CG 3.48Å; N642-Q646 PolarHBondContact O-N 3.13Å; T643-Q646 PolarHBondContact O-N 2.95Å; V644-Q646 PolarHBondContact O-N 2.92Å; Q646-I649 PolarHBondContact O-N 2.68Å; Q646-K650 VanDerWaalsContact O-CB 3.23Å; Q646-K650 WeakPolarHBondContact O-CB 3.44Å; Q646-K650 PolarHBondContact O-N 2.99Å
647M94.1Very high92.2Very high12 Ų1263.6 Ų63.66%0.05930%0.299CS..Hα-helixtrans-59.6-46.1175.2-72160.458.400110.9F485 N516 R519 A520 F523 T643 V644 K650 R651F485-M647 HydrophobicContact CE1-CE 3.76Å; F485-M647 HydrophobicContact CE2-CB 3.8Å; F485-M647 HydrophobicContact CE2-CE 4.48Å; F485-M647 HydrophobicContact CZ-CB 3.92Å; F485-M647 HydrophobicContact CZ-CE 3.62Å; N516-M647 HydrophobicContact CB-CE 3.55Å; N516-M647 WeakPolarHBondContact O-CE 3.36Å; R519-M647 HydrophobicContact CB-CE 4.36Å; R519-M647 HydrophobicContact CG-SD 4.48Å; A520-M647 HydrophobicContact CB-CE 4.43Å; F523-M647 HydrophobicContact CE2-SD 4.24Å; T643-M647 HydrophobicContact CG2-CG 4.38Å; T643-M647 HydrophobicContact CG2-SD 3.76Å; T643-M647 WeakPolarHBondContact O-CB 3.2Å; T643-M647 VanDerWaalsContact O-CG 3.23Å; T643-M647 WeakPolarHBondContact O-CG 3.48Å; T643-M647 PolarHBondContact O-N 3.4Å; V644-M647 PolarHBondContact O-N 2.98Å; M647-K650 PolarHBondContact O-N 2.73Å; M647-R651 VanDerWaalsContact O-CB 3.31Å; M647-R651 WeakPolarHBondContact O-CB 3.36Å; M647-R651 PolarHBondContact O-N 3.09Å
648Q93.3Very high91.5Very high29 Ų2964.3 Ų64.314%0.13630%0.302CS..Hα-helixtrans-61.8-49.2177-17465.417.200111.6F485 S488 V644 M645 K650 R651 Q652F485-Q648 HydrophobicContact CD2-CB 3.94Å; F485-Q648 HydrophobicContact CE2-CB 4.2Å; S488-Q648 PolarHBondContact OG-NE2 3.02Å; V644-Q648 PolarHBondContact O-N 3.12Å; M645-Q648 PolarHBondContact O-N 3.22Å; Q648-K650 VanDerWaalsContact C-N 3.35Å; Q648-K650 PolarHBondContact O-N 2.93Å; Q648-R651 PolarHBondContact O-N 3.09Å; Q648-R651 VanDerWaalsContact OE1-CZ 3.26Å; Q648-Q652 WeakPolarHBondContact O-CG 3.45Å; Q648-Q652 PolarHBondContact O-N 3.07Å
649I92.8Very high90.9Very high68 Ų6863.7 Ų63.735%0.34930%0.303SS..Hα-helixtrans-61-45.1-179.6-69.2165.8000110.8M645 Q646 K653M645-I649 VanDerWaalsContact O-CG1 3.27Å; M645-I649 WeakPolarHBondContact O-CG1 3.43Å; M645-I649 PolarHBondContact O-N 3.24Å; Q646-I649 PolarHBondContact O-N 2.68Å; I649-K653 HydrophobicContact CG2-CD 4.16Å; I649-K653 WeakPolarHBondContact O-CG 3.43Å; I649-K653 PolarHBondContact O-N 3.21Å; I649-K653 VanDerWaalsContact O-N 3.1Å
650K92Very high90.3Very high121 Ų12166.5 Ų66.553%0.52631%0.311SS..Hα-helixtrans-62.5-47.4179.2-175.1-179.4175.9-171.10110.9Q646 M647 Q648 Q652 K653 E654Q646-K650 VanDerWaalsContact O-CB 3.23Å; Q646-K650 WeakPolarHBondContact O-CB 3.44Å; Q646-K650 PolarHBondContact O-N 2.99Å; M647-K650 PolarHBondContact O-N 2.73Å; Q648-K650 VanDerWaalsContact C-N 3.35Å; Q648-K650 PolarHBondContact O-N 2.93Å; K650-Q652 PolarHBondContact O-N 2.95Å; K650-K653 PolarHBondContact O-N 3.09Å; K650-E654 WeakPolarHBondContact CE-OE1 3.35Å; K650-E654 WeakPolarHBondContact O-CG 3.05Å; K650-E654 PolarHBondContact O-N 2.84Å
651R91.6Very high89.5Confident0 Ų069.1 Ų69.10%032%0.324CS..Hα-helixtrans-58.1-48.3179.5-164.7-18082.2-129.1-4.8111.8S488 D492 W513 M647 Q648 K653 E654 F655S488-R651 PolarHBondContact O-NH2 3.48Å; S488-R651 PolarHBondContact OG-NH2 3.38Å; D492-R651 IonicContact OD2-CZ 3.55Å; D492-R651 IonicContact OD2-NE 2.73Å; D492-R651 PolarHBondContact OD2-NE 3.27Å; D492-R651 IonicContact OD2-NH2 3.12Å; D492-R651 PolarHBondContact OD2-NH2 3.43Å; W513-R651 HydrophobicContact CD2-CG 4.1Å; W513-R651 HydrophobicContact CG-CG 4.33Å; W513-R651 HydrophobicContact CZ2-CG 4.06Å; M647-R651 VanDerWaalsContact O-CB 3.31Å; M647-R651 WeakPolarHBondContact O-CB 3.36Å; M647-R651 PolarHBondContact O-N 3.09Å; Q648-R651 PolarHBondContact O-N 3.09Å; Q648-R651 VanDerWaalsContact OE1-CZ 3.26Å; R651-K653 VanDerWaalsContact C-N 3.34Å; R651-K653 PolarHBondContact O-N 3.16Å; R651-E654 WeakPolarHBondContact O-CB 3.48Å; R651-E654 PolarHBondContact O-N 3.41Å; R651-F655 HydrophobicContact CG-CD2 4.33Å; R651-F655 HydrophobicContact CG-CE2 4.2Å; R651-F655 WeakPolarHBondContact O-CD2 3.32Å; R651-F655 PolarHBondContact O-N 3.16Å; R651-F655 VanDerWaalsContact O-N 3.1Å
652Q91.6Very high88.6Confident54 Ų5469.4 Ų69.425%0.25233%0.33SS..Hα-helixtrans-61.9-40.2178.4-68.1-63.1-46.100111.9Q648 K650 E654 F655 W656Q648-Q652 WeakPolarHBondContact O-CG 3.45Å; Q648-Q652 PolarHBondContact O-N 3.07Å; K650-Q652 PolarHBondContact O-N 2.95Å; Q652-E654 PolarHBondContact O-N 3.1Å; Q652-F655 WeakPolarHBondContact O-CB 3.43Å; Q652-F655 PolarHBondContact O-N 3.24Å; Q652-W656 PolarHBondContact O-N 2.85Å
653K89.8Confident87.9Confident142 Ų14268.3 Ų68.362%0.61733%0.329SS*.Hα-helixtrans-63.8-38.6174.9-74.3175-180176.10112.8I649 K650 R651 W656 H657I649-K653 HydrophobicContact CG2-CD 4.16Å; I649-K653 WeakPolarHBondContact O-CG 3.43Å; I649-K653 PolarHBondContact O-N 3.21Å; I649-K653 VanDerWaalsContact O-N 3.1Å; K650-K653 PolarHBondContact O-N 3.09Å; R651-K653 VanDerWaalsContact C-N 3.34Å; R651-K653 PolarHBondContact O-N 3.16Å; K653-W656 PolarHBondContact O-N 3.26Å; K653-H657 PolarHBondContact O-N 2.85Å
654E86Confident86.9Confident44 Ų4468.6 Ų68.621%0.20634%0.337CS..Hα-helixtrans-63.2-41176.8-74171.6172.800111.6M509 W513 K650 R651 Q652 H657 L658M509-E654 HydrophobicContact CE-CB 3.93Å; M509-E654 HydrophobicContact CE-CG 4.45Å; M509-E654 HydrophobicContact SD-CB 4.16Å; W513-E654 HydrophobicContact CZ2-CB 4.45Å; W513-E654 PolarHBondContact NE1-OE2 2.93Å; K650-E654 WeakPolarHBondContact CE-OE1 3.35Å; K650-E654 WeakPolarHBondContact O-CG 3.05Å; K650-E654 PolarHBondContact O-N 2.84Å; R651-E654 WeakPolarHBondContact O-CB 3.48Å; R651-E654 PolarHBondContact O-N 3.41Å; Q652-E654 PolarHBondContact O-N 3.1Å; E654-H657 WeakPolarHBondContact O-CB 3.19Å; E654-H657 PolarHBondContact O-N 3.46Å; E654-H657 VanDerWaalsContact O-N 3.14Å; E654-L658 PolarHBondContact O-N 3.36Å
655F82.5Confident85.7Confident50 Ų5073.6 Ų73.622%0.21936%0.36CS..Hα-helixtrans-58.6-48.5172.2-90.3-72.3000113D492 W513 R651 Q652 H657 L658 L659D492-F655 HydrophobicContact CB-CE2 3.59Å; D492-F655 HydrophobicContact CB-CZ 3.52Å; D492-F655 VanDerWaalsContact OD2-CE2 3.26Å; D492-F655 WeakPolarHBondContact OD2-CE2 3.31Å; W513-F655 HydrophobicContact CE3-CE2 4.33Å; W513-F655 HydrophobicContact CE3-CZ 4.3Å; W513-F655 AromaticContact CH2-CD1 3.95Å; W513-F655 HydrophobicContact CH2-CD1 3.95Å; W513-F655 AromaticContact CH2-CD2 3.62Å; W513-F655 HydrophobicContact CH2-CD2 3.62Å; W513-F655 AromaticContact CH2-CE1 3.46Å; W513-F655 HydrophobicContact CH2-CE1 3.46Å; W513-F655 VanDerWaalsContact CH2-CE1 3.46Å; W513-F655 AromaticContact CH2-CE2 3.06Å; W513-F655 HydrophobicContact CH2-CE2 3.06Å; W513-F655 HydrophobicContact CH2-CG 4.04Å; W513-F655 AromaticContact CH2-CZ 3Å; W513-F655 HydrophobicContact CH2-CZ 3Å; W513-F655 AromaticContact CZ2-CD2 3.75Å; W513-F655 HydrophobicContact CZ2-CD2 3.75Å; W513-F655 HydrophobicContact CZ2-CE1 4.49Å; W513-F655 AromaticContact CZ2-CE2 3.53Å; W513-F655 HydrophobicContact CZ2-CE2 3.53Å; W513-F655 HydrophobicContact CZ2-CG 4.33Å; W513-F655 AromaticContact CZ2-CZ 3.96Å; W513-F655 HydrophobicContact CZ2-CZ 3.96Å; W513-F655 HydrophobicContact CZ3-CD2 4.46Å; W513-F655 AromaticContact CZ3-CE1 3.93Å; W513-F655 HydrophobicContact CZ3-CE1 3.93Å; W513-F655 AromaticContact CZ3-CE2 3.51Å; W513-F655 HydrophobicContact CZ3-CE2 3.51Å; W513-F655 AromaticContact CZ3-CZ 3.2Å; W513-F655 HydrophobicContact CZ3-CZ 3.2Å; R651-F655 HydrophobicContact CG-CD2 4.33Å; R651-F655 HydrophobicContact CG-CE2 4.2Å; R651-F655 WeakPolarHBondContact O-CD2 3.32Å; R651-F655 PolarHBondContact O-N 3.16Å; R651-F655 VanDerWaalsContact O-N 3.1Å; Q652-F655 WeakPolarHBondContact O-CB 3.43Å; Q652-F655 PolarHBondContact O-N 3.24Å; F655-H657 PolarHBondContact O-N 2.92Å; F655-L658 WeakPolarHBondContact O-CB 3.38Å; F655-L658 PolarHBondContact O-N 3.42Å; F655-L658 VanDerWaalsContact O-N 3.16Å; F655-L659 PolarHBondContact O-N 2.94Å
656W85.8Confident83.9Confident130 Ų13074.6 Ų74.649%0.49237%0.367SS..Hα-helixtrans-61.2-31.2175.9-74.1111.6000112.5Q652 K653 L659 K660 L716Q652-W656 PolarHBondContact O-N 2.85Å; K653-W656 PolarHBondContact O-N 3.26Å; W656-L659 HydrophobicContact CE3-CD2 3.87Å; W656-L659 HydrophobicContact CZ3-CD2 3.73Å; W656-K660 WeakPolarHBondContact O-CG 3.48Å; W656-K660 PolarHBondContact O-N 3.07Å; W656-L716 HydrophobicContact CH2-CD1 4.41Å; W656-L716 HydrophobicContact CH2-CD2 3.83Å; W656-L716 HydrophobicContact CH2-CG 4.25Å; W656-L716 HydrophobicContact CZ2-CD2 4.03Å
657H83.4Confident82Confident113 Ų11372.6 Ų72.652%0.52337%0.366SS..Hα-helixtrans-70.6-42175.1-167.862.9000112.1K653 E654 F655 L659 K660 I661K653-H657 PolarHBondContact O-N 2.85Å; E654-H657 WeakPolarHBondContact O-CB 3.19Å; E654-H657 PolarHBondContact O-N 3.46Å; E654-H657 VanDerWaalsContact O-N 3.14Å; F655-H657 PolarHBondContact O-N 2.92Å; H657-L659 VanDerWaalsContact C-N 3.29Å; H657-L659 PolarHBondContact O-N 3.47Å; H657-K660 WeakPolarHBondContact O-CB 3.46Å; H657-K660 PolarHBondContact O-N 3.31Å; H657-I661 WeakPolarHBondContact O-CG1 3.27Å; H657-I661 PolarHBondContact O-N 3.42Å
658L80.6Confident79.9Confident16 Ų1675.5 Ų75.58%0.08439%0.388CS..Hα-helixtrans-58.1-42.4172.8-71.5-179.6000111.8I504 M509 E654 F655 K660 I661 A662I504-L658 WeakPolarHBondContact CD1-O 3.4Å; I504-L658 HydrophobicContact CG2-CD2 3.91Å; M509-L658 HydrophobicContact CE-CD1 4Å; M509-L658 HydrophobicContact CE-CD2 3.77Å; M509-L658 HydrophobicContact CE-CG 3.74Å; M509-L658 HydrophobicContact SD-CD1 3.44Å; M509-L658 WeakPolarHBondContact SD-CD1 3.49Å; M509-L658 HydrophobicContact SD-CD2 4.27Å; M509-L658 HydrophobicContact SD-CG 3.89Å; E654-L658 PolarHBondContact O-N 3.36Å; F655-L658 WeakPolarHBondContact O-CB 3.38Å; F655-L658 PolarHBondContact O-N 3.42Å; F655-L658 VanDerWaalsContact O-N 3.16Å; L658-K660 VanDerWaalsContact C-N 3.33Å; L658-K660 PolarHBondContact O-N 3.13Å; L658-I661 WeakPolarHBondContact O-CB 3.34Å; L658-I661 PolarHBondContact O-N 3.04Å; L658-A662 PolarHBondContact O-N 3.29Å
659L82.2Confident77.8Confident88 Ų8883.5 Ų83.546%0.46142%0.417SS..Hα-helixtrans-61-42.4176.6-174.366.7000111.8F655 W656 H657 I661 A662 C663F655-L659 PolarHBondContact O-N 2.94Å; W656-L659 HydrophobicContact CE3-CD2 3.87Å; W656-L659 HydrophobicContact CZ3-CD2 3.73Å; H657-L659 VanDerWaalsContact C-N 3.29Å; H657-L659 PolarHBondContact O-N 3.47Å; L659-I661 VanDerWaalsContact C-N 3.31Å; L659-I661 PolarHBondContact O-N 3.33Å; L659-A662 VanDerWaalsContact O-CB 3.32Å; L659-A662 WeakPolarHBondContact O-CB 3.33Å; L659-A662 PolarHBondContact O-N 2.92Å; L659-A662 VanDerWaalsContact O-N 3.17Å; L659-C663 PolarHBondContact O-N 3.07Å; L659-C663 PolarHBondContact O-SG 2.83Å
660K83.1Confident75.5Confident150 Ų15086 Ų8665%0.65243%0.431SS*.Hα-helixtrans-60.1-41.1175.3-73.9177.3-179.3-178.10112W656 H657 L658 C663 A664W656-K660 WeakPolarHBondContact O-CG 3.48Å; W656-K660 PolarHBondContact O-N 3.07Å; H657-K660 WeakPolarHBondContact O-CB 3.46Å; H657-K660 PolarHBondContact O-N 3.31Å; L658-K660 VanDerWaalsContact C-N 3.33Å; L658-K660 PolarHBondContact O-N 3.13Å; K660-C663 PolarHBondContact O-N 3.32Å; K660-A664 WeakPolarHBondContact O-CB 3.37Å; K660-A664 PolarHBondContact O-N 2.88Å
661I79.6Confident73.1Confident57 Ų5784.7 Ų84.729%0.29244%0.437SS..Hα-helixtrans-63.1-43.7175.3-64.1167.3000110.1I504 H657 L658 L659 C663 A664 Q665I504-I661 HydrophobicContact CD1-CG2 4.4Å; H657-I661 WeakPolarHBondContact O-CG1 3.27Å; H657-I661 PolarHBondContact O-N 3.42Å; L658-I661 WeakPolarHBondContact O-CB 3.34Å; L658-I661 PolarHBondContact O-N 3.04Å; L659-I661 VanDerWaalsContact C-N 3.31Å; L659-I661 PolarHBondContact O-N 3.33Å; I661-C663 PolarHBondContact O-N 3.29Å; I661-A664 PolarHBondContact O-N 3.05Å; I661-Q665 HydrophobicContact CG2-CG 4.32Å; I661-Q665 WeakPolarHBondContact O-CG 3.47Å; I661-Q665 PolarHBondContact O-N 2.93Å
662A77.3Confident70.5Confident31 Ų3193.6 Ų93.626%0.25648%0.481SS..Hα-helixtrans-57.3-49176.600000112.5I504 L658 L659 A664 Q665 N666I504-A662 VanDerWaalsContact CD1-CA 3.46Å; I504-A662 HydrophobicContact CD1-CB 3.34Å; I504-A662 HydrophobicContact CG1-CB 4.49Å; L658-A662 PolarHBondContact O-N 3.29Å; L659-A662 VanDerWaalsContact O-CB 3.32Å; L659-A662 WeakPolarHBondContact O-CB 3.33Å; L659-A662 PolarHBondContact O-N 2.92Å; L659-A662 VanDerWaalsContact O-N 3.17Å; A662-A664 VanDerWaalsContact C-N 3.33Å; A662-A664 PolarHBondContact O-N 3.36Å; A662-Q665 PolarHBondContact O-N 2.94Å; A662-N666 PolarHBondContact O-N 3.27Å
663C80Confident68.1Low71 Ų7194.4 Ų94.448%0.4850%0.497SS..Hα-helixtrans-62.1-41.7178.7-65.70000111.4L659 K660 I661 S667L659-C663 PolarHBondContact O-N 3.07Å; L659-C663 PolarHBondContact O-SG 2.83Å; K660-C663 PolarHBondContact O-N 3.32Å; I661-C663 PolarHBondContact O-N 3.29Å; C663-S667 WeakPolarHBondContact O-CB 3.38Å; C663-S667 PolarHBondContact O-N 2.79Å; C663-S667 PolarHBondContact O-OG 3.42Å
664A75.3Confident65.5Low58 Ų5893.7 Ų93.748%0.47951%0.505SS..Hα-helixtrans-65.4-41.9177.400000112.4K660 I661 A662 S667 S668K660-A664 WeakPolarHBondContact O-CB 3.37Å; K660-A664 PolarHBondContact O-N 2.88Å; I661-A664 PolarHBondContact O-N 3.05Å; A662-A664 VanDerWaalsContact C-N 3.33Å; A662-A664 PolarHBondContact O-N 3.36Å; A664-S667 WeakPolarHBondContact O-CB 3.42Å; A664-S667 PolarHBondContact O-N 3.45Å; A664-S668 PolarHBondContact O-N 3.26Å; A664-S668 VanDerWaalsContact O-N 3.09Å; A664-S668 PolarHBondContact O-OG 3.44Å
665Q67.8Low62.7Low107 Ų10797 Ų9750%0.553%0.533SS..Hα-helixtrans-67.4-38.5178.3-73.8-179.5-9.700112.8I661 A662 S667 S668 R669I661-Q665 HydrophobicContact CG2-CG 4.32Å; I661-Q665 WeakPolarHBondContact O-CG 3.47Å; I661-Q665 PolarHBondContact O-N 2.93Å; A662-Q665 PolarHBondContact O-N 2.94Å; Q665-S667 VanDerWaalsContact C-N 3.32Å; Q665-S668 WeakPolarHBondContact CA-OG 3.21Å; Q665-S668 PolarHBondContact O-N 2.94Å; Q665-S668 PolarHBondContact O-OG 3.08Å; Q665-R669 PolarHBondContact O-N 3.33Å
666N59.5Low61Low103 Ų103100 Ų10055%0.55156%0.557SS**Hα-helixtrans-67.1-33.9172.6-105-2.2000112.4A662 S668 R669 N670A662-N666 PolarHBondContact O-N 3.27Å; N666-S668 VanDerWaalsContact C-N 3.34Å; N666-S668 PolarHBondContact O-N 3.28Å; N666-R669 PolarHBondContact O-N 3.08Å; N666-N670 PolarHBondContact O-N 3.46Å
667S54.2Low58.2Low80 Ų80102.8 Ų102.856%0.55958%0.576SS**Hα-helixtrans-63.7-38.9173.9-52.20000111.6C663 A664 Q665 S671C663-S667 WeakPolarHBondContact O-CB 3.38Å; C663-S667 PolarHBondContact O-N 2.79Å; C663-S667 PolarHBondContact O-OG 3.42Å; A664-S667 WeakPolarHBondContact O-CB 3.42Å; A664-S667 PolarHBondContact O-N 3.45Å; Q665-S667 VanDerWaalsContact C-N 3.32Å; S667-S671 PolarHBondContact O-N 3.24Å
668S50.1Low55.7Low74 Ų74102.2 Ų102.252%0.51759%0.585SS.*Hα-helixtrans-72.6-29.5174.645.90000114.4A664 Q665 N666 S671A664-S668 PolarHBondContact O-N 3.26Å; A664-S668 VanDerWaalsContact O-N 3.09Å; A664-S668 PolarHBondContact O-OG 3.44Å; Q665-S668 WeakPolarHBondContact CA-OG 3.21Å; Q665-S668 PolarHBondContact O-N 2.94Å; Q665-S668 PolarHBondContact O-OG 3.08Å; N666-S668 VanDerWaalsContact C-N 3.34Å; N666-S668 PolarHBondContact O-N 3.28Å; S668-S671 PolarHBondContact O-N 3.48Å
669R48.7Very low53.3Low197 Ų197106.8 Ų106.874%0.74362%0.618SS**Hα-helixtrans-71-36.4172.1-92.3-178168.2173.7-2.6112.4Q665 N666 S671 M672Q665-R669 PolarHBondContact O-N 3.33Å; N666-R669 PolarHBondContact O-N 3.08Å; R669-S671 VanDerWaalsContact C-N 3.27Å; R669-S671 PolarHBondContact O-N 2.9Å; R669-M672 PolarHBondContact O-N 3.01Å
670N45.6Very low50.8Low121 Ų121111.1 Ų111.165%0.64764%0.635SS**Hα-helixtrans-72-19.2174-78.6-4.4000113.3N666 A673N666-N670 PolarHBondContact O-N 3.46Å; N670-A673 PolarHBondContact O-N 2.96Å
671S39.6Very low48.2Very low92 Ų92111.4 Ų111.464%0.64364%0.643SS**THydrogen-bonded Turntrans-77.3-13.6175.3-1770000114.6S667 S668 R669S667-S671 PolarHBondContact O-N 3.24Å; S668-S671 PolarHBondContact O-N 3.48Å; R669-S671 VanDerWaalsContact C-N 3.27Å; R669-S671 PolarHBondContact O-N 2.9Å
672M38.8Very low45.8Very low187 Ų187115.2 Ų115.292%0.92166%0.664SS**THydrogen-bonded Turntrans-90.4-4172.3-86.7-162.9142.500113.4R669R669-M672 PolarHBondContact O-N 3.01Å
673A39.7Very low43.4Very low71 Ų71122.6 Ų122.659%0.58769%0.693SS**SBendtrans-125.166.5175.100000109.4N670N670-A673 PolarHBondContact O-N 2.96Å
674T36.1Very low41.4Very low128 Ų128125.5 Ų125.579%0.78571%0.708SS**  trans168.5120146.232.30000110.2
675S26Very low39.1Very low114 Ų114127.5 Ų127.580%0.79772%0.718SS**  trans-98.1167159.1760000108.8
676P47.6Very low37.1Very low113 Ų113131.4 Ų131.473%0.73474%0.737SS**  -117.8147.5-89.933.8-19.7000110.8
677E27.9Very low35.7Very low187 Ų187139 Ų13987%0.87476%0.758SS**  trans-161.1126.9148.3-117.5168.3-164.100113
678S30.1Very low34.4Very low102 Ų102140.7 Ų140.771%0.71377%0.77SS**  trans55.7103.1157.256.70000119.1
679S30.4Very low33.5Very low111 Ų111146.4 Ų146.478%0.77679%0.788SS**  92.6116.976.5-69.70000114.1
680Q30.1Very low32.5Very low179 Ų179143.2 Ų143.284%0.83680%0.796SS**  trans77.2103.5156.6-62.3174.9-17.400117.1
681L28Very low31.5Very low156 Ų156141.7 Ų141.782%0.81780%0.801SS**  41.3126.279-68.7156.8000111
682L30Very low30.8Very low137 Ų137145.8 Ų145.872%0.71781%0.81SS**  cis176.6140.725.7-122.3162.7000105.5
683Q26.7Very low31Very low186 Ų186141.7 Ų141.787%0.86980%0.797SS**  162.8136.9117.9-99.4173.90.400114.7
684V36.6Very low30.4Very low132 Ų132145 Ų14580%0.881%0.81SS**  trans-80.9139.8177.21720000110.1
685S27.7Very low29.9Very low100 Ų100144.3 Ų144.370%0.69981%0.81SS**  trans-163.8126.7142.9-7.90000114.8
686Q26.1Very low29.9Very low190 Ų190144 Ų14489%0.88881%0.808SS**  trans71.1120.5131.1-71.8175.3-28.800122.5
687W30.6Very low29.4Very low261 Ų261144.1 Ų144.199%0.98981%0.808SS**  trans-60.8147.3157-83.9-40.6000113.4
688S26.2Very low29.2Very low117 Ų117143.8 Ų143.882%0.81881%0.807SS**  trans-163.9124136.752.70000114.3
689Q31Very low29.8Very low193 Ų193143.7 Ų143.790%0.90280%0.804SS**  trans-7143.6153.5-61.2169.7-12.300121.7
690S27Very low29.6Very low130 Ų130145.7 Ų145.791%0.90981%0.805SS**  -175.6159.5125.457.50000112.5
691A26Very low29.3Very low89 Ų89143 Ų14374%0.73680%0.8SS**  trans-109.4155.8-155.100000117
692Q24.2Very low29.2Very low179 Ų179141.2 Ų141.284%0.83680%0.801SS**  trans65.5163.3150.8-63-92.8-29.400119.6
693P42.3Very low29.3Very low101 Ų101142.6 Ų142.666%0.65681%0.808SS**  cis-137.2164.7-29.129.3-7.5000117
694V27.1Very low30.2Very low140 Ų140139.7 Ų139.785%0.84881%0.806SS**  trans55120.3146.5-177.90000122.4
695S26Very low29.8Very low113 Ų113137 Ų13779%0.7981%0.805SS**  171.6128.4117.864.30000113.4
696S26.1Very low30.5Very low108 Ų108143.9 Ų143.976%0.75582%0.816SS**  trans-82.3172.9160.249.90000110.3
697P36.7Very low30.8Very low115 Ų115142 Ų14275%0.74781%0.811SS**  cis-139.815922.338.3-16.6000118.7
698H24.7Very low31.2Very low181 Ų181138 Ų13884%0.83881%0.809SS**  trans10.1168.4139.2-74-51.8000122.6
699P42.8Very low31.9Very low100 Ų100137.2 Ų137.265%0.64980%0.804SS**  cis-145.2174.5-10.827.9-3.1000117.9
700L25.3Very low32.4Very low153 Ų153133.7 Ų133.780%0.80179%0.792SS**  trans64.6131.7147.8-68.7152.2000117.9
701T25.1Very low33Very low121 Ų121129.3 Ų129.374%0.74277%0.767SS**  cis-173.4157.345.4-20.80000111.2
702S25.6Very low33.7Very low119 Ų119128.4 Ų128.483%0.83276%0.759SS**  trans89.3109.1155.771.70000121
703L32.1Very low34.7Very low166 Ų166123.3 Ų123.387%0.86974%0.742SS**  trans-67.9175.8160.3-83.6144.6000112.1
704P46.1Very low34.8Very low125 Ų125127.4 Ų127.481%0.81274%0.744SS**  cis-135.7162.20.227.2-4.3000116.1
705G26.7Very low35.6Very low76 Ų76126 Ų12678%0.78473%0.731SS**  trans-174.9113.4162.700000113.3
706R43.3Very low36.5Very low245 Ų245124.8 Ų124.893%0.92572%0.715SS**  trans-52.2133.7178.7-85169.9156.9167.5-7.3113.7
707N32.1Very low37.8Very low149 Ų149126.2 Ų126.280%0.79771%0.71SS**  trans-170.993.2146.9-94.1-17.4000109.7S709N707-S709 PolarHBondContact O-N 3.38Å
708D38Very low38.4Very low177 Ų177125.6 Ų125.695%0.94770%0.697SS**  trans-75.168.3177.8-80.8-36.5000111.9
709S40.9Very low39.3Very low102 Ų102121.1 Ų121.171%0.71368%0.68SS**  trans-102.80.8166.460.20000113.1N707N707-S709 PolarHBondContact O-N 3.38Å
710D43.1Very low39.5Very low119 Ų119123.3 Ų123.364%0.63668%0.681SS**SBendtrans-1125.6-167.7-121-0.4000114.8
711G39.8Very low41Very low38 Ų38122.1 Ų122.139%0.39267%0.669SS.*Hα-helixtrans-75.4-39.5-177.300000114.5L715G711-L715 WeakPolarHBondContact O-CG 3.2Å; G711-L715 PolarHBondContact O-N 3.29Å; G711-L715 VanDerWaalsContact O-N 3.08Å
712A39.4Very low42.3Very low69 Ų69123.3 Ų123.357%0.5766%0.661SS**Hα-helixtrans-69.6-41.6-175.700000114.2R714 L716A712-R714 VanDerWaalsContact C-N 3.35Å; A712-L716 WeakPolarHBondContact O-CB 3.39Å; A712-L716 PolarHBondContact O-N 3.04Å; A712-L716 VanDerWaalsContact O-N 3.09Å
713P44.6Very low43.3Very low73 Ų73122.7 Ų122.747%0.47465%0.648SS.*Hα-helixtrans-65.6-37.2175.6-18.831.6000112.4L716 Q717P713-L716 PolarHBondContact O-N 3.12Å; P713-Q717 WeakPolarHBondContact O-CB 3.38Å; P713-Q717 PolarHBondContact O-N 3.06Å
714R45.6Very low44.3Very low187 Ų187117.5 Ų117.571%0.70663%0.626SS**Hα-helixtrans-65.3-45.9177.8-113.8-179.8173.7178.5-1112.5A712 L716 Q717 E718A712-R714 VanDerWaalsContact C-N 3.35Å; R714-L716 VanDerWaalsContact C-N 3.33Å; R714-L716 PolarHBondContact O-N 3.33Å; R714-Q717 PolarHBondContact O-N 3.5Å; R714-E718 PolarHBondContact O-N 2.91Å
715L43.4Very low44.6Very low110 Ų110116 Ų11658%0.57661%0.608SS**Hα-helixtrans-65.3-36.4176.7-73.5168.2000111.9G711 N719G711-L715 WeakPolarHBondContact O-CG 3.2Å; G711-L715 PolarHBondContact O-N 3.29Å; G711-L715 VanDerWaalsContact O-N 3.08Å; L715-N719 VanDerWaalsContact O-CB 3.28Å; L715-N719 WeakPolarHBondContact O-CB 3.41Å; L715-N719 PolarHBondContact O-N 3.23Å
716L45.8Very low45.6Very low87 Ų87116.9 Ų116.946%0.45559%0.594SS.*Hα-helixtrans-65.3-39.7173.3-86.9161.3000112.4W656 A712 P713 R714 N719 Q720W656-L716 HydrophobicContact CH2-CD1 4.41Å; W656-L716 HydrophobicContact CH2-CD2 3.83Å; W656-L716 HydrophobicContact CH2-CG 4.25Å; W656-L716 HydrophobicContact CZ2-CD2 4.03Å; A712-L716 WeakPolarHBondContact O-CB 3.39Å; A712-L716 PolarHBondContact O-N 3.04Å; A712-L716 VanDerWaalsContact O-N 3.09Å; P713-L716 PolarHBondContact O-N 3.12Å; R714-L716 VanDerWaalsContact C-N 3.33Å; R714-L716 PolarHBondContact O-N 3.33Å; L716-N719 PolarHBondContact O-N 2.98Å; L716-Q720 PolarHBondContact O-N 2.87Å
717Q52.2Low45.9Very low138 Ų138108.9 Ų108.965%0.64557%0.573SS**Hα-helixtrans-70.4-38.5177.9-161.9175.221.600111.9P713 R714 K721P713-Q717 WeakPolarHBondContact O-CB 3.38Å; P713-Q717 PolarHBondContact O-N 3.06Å; R714-Q717 PolarHBondContact O-N 3.5Å; Q717-K721 WeakPolarHBondContact O-CB 3.44Å; Q717-K721 PolarHBondContact O-N 2.81Å
718E49.3Very low46.9Very low102 Ų102106.6 Ų106.648%0.47756%0.561SS.*Hα-helixtrans-65.5-41.1171.5-80.5-175.3152.400111.8R714 K721 Y722R714-E718 PolarHBondContact O-N 2.91Å; E718-K721 WeakPolarHBondContact O-CB 3.43Å; E718-K721 PolarHBondContact O-N 3.08Å; E718-K721 VanDerWaalsContact O-N 3.14Å; E718-Y722 HydrophobicContact CB-CE2 4.27Å; E718-Y722 WeakPolarHBondContact O-CD2 3.25Å; E718-Y722 PolarHBondContact O-N 2.9Å
719N43.9Very low47.7Very low88 Ų88103.3 Ų103.347%0.47154%0.542SS..Hα-helixtrans-65.8-41.6177.5-153-61.8000111.7L715 L716 K721 Y722 L723L715-N719 VanDerWaalsContact O-CB 3.28Å; L715-N719 WeakPolarHBondContact O-CB 3.41Å; L715-N719 PolarHBondContact O-N 3.23Å; L716-N719 PolarHBondContact O-N 2.98Å; N719-K721 VanDerWaalsContact C-N 3.28Å; N719-K721 PolarHBondContact O-N 3.16Å; N719-Y722 PolarHBondContact O-N 2.84Å; N719-L723 WeakPolarHBondContact O-CB 3.28Å; N719-L723 PolarHBondContact O-N 2.69Å
720Q48.3Very low48Very low145 Ų145104.5 Ų104.568%0.67854%0.538SS*.Hα-helixtrans-60.9-37.3170.9-99.6-178.9-21.800112.4L716 L723 S724L716-Q720 PolarHBondContact O-N 2.87Å; Q720-L723 PolarHBondContact O-N 3.24Å; Q720-S724 WeakPolarHBondContact O-CB 3.2Å; Q720-S724 PolarHBondContact O-N 3.46Å; Q720-S724 PolarHBondContact O-OG 2.97Å
721K55.2Low48.2Very low128 Ų128104.2 Ų104.256%0.55753%0.533SS*.Hα-helixtrans-64.9-46.2175.8-169.2-179.4178.1-174.90111.1Q717 E718 N719 L723 S724 Q725Q717-K721 WeakPolarHBondContact O-CB 3.44Å; Q717-K721 PolarHBondContact O-N 2.81Å; E718-K721 WeakPolarHBondContact O-CB 3.43Å; E718-K721 PolarHBondContact O-N 3.08Å; E718-K721 VanDerWaalsContact O-N 3.14Å; N719-K721 VanDerWaalsContact C-N 3.28Å; N719-K721 PolarHBondContact O-N 3.16Å; K721-L723 PolarHBondContact O-N 3.17Å; K721-S724 PolarHBondContact O-N 2.96Å; K721-S724 PolarHBondContact O-OG 3.37Å; K721-Q725 WeakPolarHBondContact O-CG 3.27Å; K721-Q725 PolarHBondContact O-N 3.24Å
722Y53.6Low49Very low146 Ų146108.2 Ų108.257%0.57354%0.541SS*.Hα-helixtrans-63.9-39175.2-70-57.6000112.6E718 N719 S724 Q725 L726E718-Y722 HydrophobicContact CB-CE2 4.27Å; E718-Y722 WeakPolarHBondContact O-CD2 3.25Å; E718-Y722 PolarHBondContact O-N 2.9Å; N719-Y722 PolarHBondContact O-N 2.84Å; Y722-S724 VanDerWaalsContact C-N 3.35Å; Y722-S724 PolarHBondContact O-N 3.14Å; Y722-Q725 PolarHBondContact O-N 2.98Å; Y722-L726 WeakPolarHBondContact O-CB 3.4Å; Y722-L726 PolarHBondContact O-N 2.95Å
723L46.3Very low49.3Very low106 Ų106107.3 Ų107.356%0.55553%0.534SS*.Hα-helixtrans-63.4-41.1175.7-145.398.1000111.6N719 Q720 K721 L726 T727N719-L723 WeakPolarHBondContact O-CB 3.28Å; N719-L723 PolarHBondContact O-N 2.69Å; Q720-L723 PolarHBondContact O-N 3.24Å; K721-L723 PolarHBondContact O-N 3.17Å; L723-L726 PolarHBondContact O-N 3.47Å; L723-T727 WeakPolarHBondContact O-CB 3.41Å; L723-T727 PolarHBondContact O-N 3.41Å; L723-T727 PolarHBondContact O-OG1 3.42Å
724S52.3Low49.3Very low58 Ų58106 Ų10641%0.40653%0.53SS..Hα-helixtrans-67.2-37.9176.572.20000112.5Q720 K721 Y722 T727 N728Q720-S724 WeakPolarHBondContact O-CB 3.2Å; Q720-S724 PolarHBondContact O-N 3.46Å; Q720-S724 PolarHBondContact O-OG 2.97Å; K721-S724 PolarHBondContact O-N 2.96Å; K721-S724 PolarHBondContact O-OG 3.37Å; Y722-S724 VanDerWaalsContact C-N 3.35Å; Y722-S724 PolarHBondContact O-N 3.14Å; S724-T727 PolarHBondContact O-N 3.4Å; S724-N728 PolarHBondContact O-N 2.98Å
725Q53.4Low49.2Very low93 Ų93101.1 Ų101.144%0.43552%0.518SS..Hα-helixtrans-67.6-41.9176.1-75.3178.1-20.700111.8K721 Y722 T727 N728 L729K721-Q725 WeakPolarHBondContact O-CG 3.27Å; K721-Q725 PolarHBondContact O-N 3.24Å; Y722-Q725 PolarHBondContact O-N 2.98Å; Q725-T727 VanDerWaalsContact C-N 3.34Å; Q725-N728 PolarHBondContact O-N 3.2Å; Q725-L729 WeakPolarHBondContact O-CB 3.41Å; Q725-L729 WeakPolarHBondContact O-CG 3.43Å; Q725-L729 PolarHBondContact O-N 3.32Å
726L46.4Very low49.4Very low95 Ų95103 Ų10350%0.49752%0.523SS..Hα-helixtrans-63.5-41.2175.2-17074.6000111.4Y722 L723 L729 M730Y722-L726 WeakPolarHBondContact O-CB 3.4Å; Y722-L726 PolarHBondContact O-N 2.95Å; L723-L726 PolarHBondContact O-N 3.47Å; L726-L729 PolarHBondContact O-N 3.14Å; L726-M730 WeakPolarHBondContact O-CB 3.39Å; L726-M730 VanDerWaalsContact O-CG 3.31Å; L726-M730 WeakPolarHBondContact O-CG 3.38Å; L726-M730 PolarHBondContact O-N 3.27Å
727T49.7Very low49.2Very low77 Ų77105.1 Ų105.147%0.47253%0.531SS..Hα-helixtrans-65.8-41.7178.9-51.70000111.5L723 S724 Q725 M730 Q731L723-T727 WeakPolarHBondContact O-CB 3.41Å; L723-T727 PolarHBondContact O-N 3.41Å; L723-T727 PolarHBondContact O-OG1 3.42Å; S724-T727 PolarHBondContact O-N 3.4Å; Q725-T727 VanDerWaalsContact C-N 3.34Å; T727-M730 PolarHBondContact O-N 3.44Å; T727-Q731 PolarHBondContact O-N 3.2Å
728N54.8Low48.6Very low101 Ų101101.2 Ų101.254%0.5452%0.523SS..Hα-helixtrans-67-41.5176.2-76.3-7.7000112.4S724 Q725 M730 Q731 E732S724-N728 PolarHBondContact O-N 2.98Å; Q725-N728 PolarHBondContact O-N 3.2Å; N728-M730 VanDerWaalsContact C-N 3.3Å; N728-M730 PolarHBondContact O-N 2.96Å; N728-Q731 WeakPolarHBondContact O-CB 3.49Å; N728-Q731 PolarHBondContact O-N 3.03Å; N728-Q731 VanDerWaalsContact O-N 3.15Å; N728-E732 PolarHBondContact O-N 3.24Å
729L53.7Low48.3Very low108 Ų108104 Ų10457%0.56553%0.533SS*.Hα-helixtrans-63.3-36.6175.7-78.3166.2000112.2Q725 L726 Q731 A733Q725-L729 WeakPolarHBondContact O-CB 3.41Å; Q725-L729 WeakPolarHBondContact O-CG 3.43Å; Q725-L729 PolarHBondContact O-N 3.32Å; L726-L729 PolarHBondContact O-N 3.14Å; L729-Q731 VanDerWaalsContact C-N 3.35Å; L729-A733 VanDerWaalsContact O-CB 3.29Å; L729-A733 WeakPolarHBondContact O-CB 3.5Å; L729-A733 PolarHBondContact O-N 3.3Å
730M48.5Very low48.1Very low127 Ų127104.3 Ų104.363%0.62654%0.542SS*.Hα-helixtrans-68-34.6174-74.2-176.765.100112.5L726 T727 N728 A734L726-M730 WeakPolarHBondContact O-CB 3.39Å; L726-M730 VanDerWaalsContact O-CG 3.31Å; L726-M730 WeakPolarHBondContact O-CG 3.38Å; L726-M730 PolarHBondContact O-N 3.27Å; T727-M730 PolarHBondContact O-N 3.44Å; N728-M730 VanDerWaalsContact C-N 3.3Å; N728-M730 PolarHBondContact O-N 2.96Å; M730-A734 WeakPolarHBondContact O-CB 3.41Å; M730-A734 PolarHBondContact O-N 2.91Å; M730-A734 VanDerWaalsContact O-N 3.15Å
731Q47.1Very low47.6Very low113 Ų113104.1 Ų104.153%0.52854%0.544SS..Hα-helixtrans-72-43.5176.8-16175.233.100111.5T727 N728 L729 A734 D735T727-Q731 PolarHBondContact O-N 3.2Å; N728-Q731 WeakPolarHBondContact O-CB 3.49Å; N728-Q731 PolarHBondContact O-N 3.03Å; N728-Q731 VanDerWaalsContact O-N 3.15Å; L729-Q731 VanDerWaalsContact C-N 3.35Å; Q731-A734 PolarHBondContact O-N 3.19Å; Q731-D735 PolarHBondContact O-N 3.11Å
732E54.8Low47Very low121 Ų121103.7 Ų103.757%0.56555%0.552SS**Hα-helixtrans-63.1-41.8175.5-76177.2170.300111.7N728 A734 D735 E736N728-E732 PolarHBondContact O-N 3.24Å; E732-A734 VanDerWaalsContact C-N 3.31Å; E732-A734 PolarHBondContact O-N 3.31Å; E732-D735 PolarHBondContact O-N 3.12Å; E732-E736 PolarHBondContact O-N 3.4Å
733A46.1Very low46.2Very low50 Ų50105.1 Ų105.141%0.41356%0.564SS.*Hα-helixtrans-63.8-35.217500000112.6L729 Q737L729-A733 VanDerWaalsContact O-CB 3.29Å; L729-A733 WeakPolarHBondContact O-CB 3.5Å; L729-A733 PolarHBondContact O-N 3.3Å; A733-Q737 WeakPolarHBondContact O-CB 3.47Å; A733-Q737 PolarHBondContact O-N 2.99Å
734A44.6Very low45.8Very low47 Ų47107.3 Ų107.339%0.38857%0.571SS.*Hα-helixtrans-70.5-37.4175.300000112.2M730 Q731 E732 Q737 A738M730-A734 WeakPolarHBondContact O-CB 3.41Å; M730-A734 PolarHBondContact O-N 2.91Å; M730-A734 VanDerWaalsContact O-N 3.15Å; Q731-A734 PolarHBondContact O-N 3.19Å; E732-A734 VanDerWaalsContact C-N 3.31Å; E732-A734 PolarHBondContact O-N 3.31Å; A734-Q737 PolarHBondContact O-N 3.26Å; A734-A738 PolarHBondContact O-N 3.13Å; A734-A738 VanDerWaalsContact O-N 3.16Å
735D44.1Very low45Very low84 Ų84110.4 Ų110.445%0.44958%0.583SS.*Hα-helixtrans-73.5-33.8178.7-75.6-17000112.8Q731 E732 A738 K739Q731-D735 PolarHBondContact O-N 3.11Å; E732-D735 PolarHBondContact O-N 3.12Å; D735-A738 PolarHBondContact O-N 3.09Å; D735-K739 WeakPolarHBondContact O-CG 3.42Å; D735-K739 PolarHBondContact O-N 2.86Å
736E46.7Very low44.5Very low148 Ų148114.9 Ų114.969%0.69260%0.596SS**Hα-helixtrans-66.8-37.1170.7-77.6-170.6159.200112.1E732 A738 K739 S740E732-E736 PolarHBondContact O-N 3.4Å; E736-A738 VanDerWaalsContact C-N 3.27Å; E736-A738 PolarHBondContact O-N 2.97Å; E736-K739 PolarHBondContact O-N 2.86Å; E736-S740 PolarHBondContact O-N 3.23Å
737Q42.3Very low44.2Very low132 Ų132112.7 Ų112.762%0.61759%0.589SS**Hα-helixtrans-66.1-30.5175.4-148.9172.215.300112.2A733 A734A733-Q737 WeakPolarHBondContact O-CB 3.47Å; A733-Q737 PolarHBondContact O-N 2.99Å; A734-Q737 PolarHBondContact O-N 3.26Å
738A40.5Very low43.7Very low57 Ų57120.2 Ų120.247%0.47161%0.609SS.*Hα-helixtrans-77.6-36.8174.700000113.3A734 D735 E736A734-A738 PolarHBondContact O-N 3.13Å; A734-A738 VanDerWaalsContact O-N 3.16Å; D735-A738 PolarHBondContact O-N 3.09Å; E736-A738 VanDerWaalsContact C-N 3.27Å; E736-A738 PolarHBondContact O-N 2.97Å
739K41.1Very low42.8Very low160 Ų160120.1 Ų120.170%0.69661%0.612SS**Hα-helixtrans-74.3-31.3178.7-74.7175.3-178.3170.30113.3D735 E736 I741 V742D735-K739 WeakPolarHBondContact O-CG 3.42Å; D735-K739 PolarHBondContact O-N 2.86Å; E736-K739 PolarHBondContact O-N 2.86Å; K739-I741 PolarHBondContact O-N 3.11Å; K739-I741 VanDerWaalsContact O-N 3.11Å; K739-V742 PolarHBondContact O-N 3.18Å
740S39.9Very low41.8Very low94 Ų94123 Ų12366%0.65762%0.62SS**THydrogen-bonded Turntrans-62.9-14.7174.9-179.90000114.2E736E736-S740 PolarHBondContact O-N 3.23Å
741I38.7Very low41Very low141 Ų141126.7 Ų126.772%0.72363%0.629SS**THydrogen-bonded Turntrans-86.2-16.8-178.9-68.6171.4000112.3K739K739-I741 PolarHBondContact O-N 3.11Å; K739-I741 VanDerWaalsContact O-N 3.11Å
742V41.8Very low40.3Very low119 Ų119126.9 Ų126.972%0.72163%0.629SS**THydrogen-bonded Turntrans-104-14-168.1-177.70000114.2K739K739-V742 PolarHBondContact O-N 3.18Å
743E36.7Very low39.2Very low177 Ų177124.2 Ų124.283%0.82762%0.622SS**  trans-114.575.8179.2-71.9-174.4168.300112.3
744Q37.7Very low38.6Very low151 Ų151129 Ų12971%0.70664%0.639SS**  trans-130.4124154.3-71.8-164.8-11.300109.7W746Q744-W746 PolarHBondContact O-N 2.89Å; Q744-W746 PolarHBondContact O-NE1 3.46Å
745D37.4Very low38.1Very low124 Ų124131.3 Ų131.366%0.66365%0.649SS**  trans-64.3111.5178.817820.1000110.8S747D745-S747 VanDerWaalsContact C-N 3.25Å; D745-S747 PolarHBondContact O-N 3.31Å; D745-S747 WeakPolarHBondContact OD1-CB 3.32Å; D745-S747 PolarHBondContact OD1-N 3.49Å; D745-S747 PolarHBondContact OD1-OG 3.33Å; D745-S747 WeakPolarHBondContact OD2-CB 3.13Å; D745-S747 PolarHBondContact OD2-OG 3.11Å
746W42.7Very low37.6Very low187 Ų187130 Ų13071%0.70864%0.644SS**  trans-84.411.3178.4-68.498.2000113.6Q744 W748 T749Q744-W746 PolarHBondContact O-N 2.89Å; Q744-W746 PolarHBondContact O-NE1 3.46Å; W746-W748 PolarHBondContact O-N 2.99Å; W746-T749 HydrophobicContact CE3-CG2 3.61Å; W746-T749 HydrophobicContact CZ3-CG2 4.09Å; W746-T749 PolarHBondContact O-N 3.1Å; W746-T749 PolarHBondContact O-OG1 2.96Å
747S39.4Very low37Very low49 Ų49129.8 Ų129.834%0.34364%0.64SS.*G310 helixtrans-51.6-28.6-177.3590000114.5D745 K750D745-S747 VanDerWaalsContact C-N 3.25Å; D745-S747 PolarHBondContact O-N 3.31Å; D745-S747 WeakPolarHBondContact OD1-CB 3.32Å; D745-S747 PolarHBondContact OD1-N 3.49Å; D745-S747 PolarHBondContact OD1-OG 3.33Å; D745-S747 WeakPolarHBondContact OD2-CB 3.13Å; D745-S747 PolarHBondContact OD2-OG 3.11Å; S747-K750 PolarHBondContact O-N 3.11Å
748W39.7Very low36.6Very low235 Ų235129.3 Ų129.389%0.8964%0.641SS**G310 helixtrans-83.2-8.2-179.4-53.791.2000115.4W746 K750W746-W748 PolarHBondContact O-N 2.99Å; W748-K750 VanDerWaalsContact C-N 3.28Å
749T35.7Very low36.2Very low99 Ų99134.9 Ų134.961%0.60766%0.655SS**G310 helixtrans-84.7-4.1170.758.50000113W746 Y751W746-T749 HydrophobicContact CE3-CG2 3.61Å; W746-T749 HydrophobicContact CZ3-CG2 4.09Å; W746-T749 PolarHBondContact O-N 3.1Å; W746-T749 PolarHBondContact O-OG1 2.96Å; T749-Y751 PolarHBondContact O-N 3.33Å
750K31.2Very low36Very low169 Ų169135 Ų13574%0.73566%0.656SS**  trans-73.6115.4176.9-71-175.7178.3176.90110.5S747 W748 E752S747-K750 PolarHBondContact O-N 3.11Å; W748-K750 VanDerWaalsContact C-N 3.28Å; K750-E752 PolarHBondContact O-N 2.99Å
751Y33.4Very low35.7Very low204 Ų204141 Ų14180%0.866%0.664SS**  trans-58.7109.9168.5-162.8-89.7000109.9T749 T753T749-Y751 PolarHBondContact O-N 3.33Å; Y751-T753 HydrophobicContact CD1-CG2 3.67Å; Y751-T753 HydrophobicContact CE1-CG2 3.54Å; Y751-T753 PolarHBondContact O-N 3.43Å
752E32.4Very low35.6Very low117 Ų117141.6 Ų141.655%0.54767%0.668SS.*  trans-80.195164.4-84.2-168.6159.700108.5K750K750-E752 PolarHBondContact O-N 2.99Å
753T32.1Very low35.3Very low65 Ų65143.1 Ų143.140%0.39969%0.694SS.*  trans-58.3147163.6370000109.7Y751 T755 T756Y751-T753 HydrophobicContact CD1-CG2 3.67Å; Y751-T753 HydrophobicContact CE1-CG2 3.54Å; Y751-T753 PolarHBondContact O-N 3.43Å; T753-T755 WeakPolarHBondContact CB-OG1 3.32Å; T753-T755 PolarHBondContact O-N 3.03Å; T753-T755 PolarHBondContact OG1-OG1 3.37Å; T753-T755 VanDerWaalsContact OG1-OG1 3.07Å; T753-T756 WeakPolarHBondContact O-CB 3.19Å; T753-T756 PolarHBondContact O-N 2.72Å; T753-T756 PolarHBondContact O-OG1 3.1Å
754L33.2Very low35.2Very low149 Ų149141.5 Ų141.578%0.7869%0.687SS**Hα-helixtrans-47.2-25175.2-91143.6000114.5T756 K757L754-T756 VanDerWaalsContact C-N 3.27Å; L754-T756 PolarHBondContact O-N 2.67Å; L754-K757 PolarHBondContact O-N 3.47Å
755T33.5Very low35.1Very low96 Ų96140.9 Ų140.959%0.58969%0.686SS**Hα-helixtrans-61.3-28.9172.523.40000114.1T753 L758T753-T755 WeakPolarHBondContact CB-OG1 3.32Å; T753-T755 PolarHBondContact O-N 3.03Å; T753-T755 PolarHBondContact OG1-OG1 3.37Å; T753-T755 VanDerWaalsContact OG1-OG1 3.07Å; T755-L758 PolarHBondContact O-N 3.03Å
756T33.5Very low34.9Very low56 Ų56141.9 Ų141.934%0.34469%0.688SS.*Hα-helixtrans-78.3-30-177.3-30.30000112.2T753 L754 L758T753-T756 WeakPolarHBondContact O-CB 3.19Å; T753-T756 PolarHBondContact O-N 2.72Å; T753-T756 PolarHBondContact O-OG1 3.1Å; L754-T756 VanDerWaalsContact C-N 3.27Å; L754-T756 PolarHBondContact O-N 2.67Å; T756-L758 VanDerWaalsContact C-N 3.33Å
757K34.4Very low34.5Very low144 Ų144139.2 Ų139.263%0.62669%0.686SS**Hα-helixtrans-71.4-25.2173.2-80.2-175.5176.4176.90113.3L754L754-K757 PolarHBondContact O-N 3.47Å
758L33.7Very low34.2Very low122 Ų122144.9 Ų144.964%0.63971%0.708SS**Hα-helixtrans-78.2-30.4177.4-83.8155.5000112.9T755 T756T755-L758 PolarHBondContact O-N 3.03Å; T756-L758 VanDerWaalsContact C-N 3.33Å
759K32.7Very low33.8Very low175 Ų175138.9 Ų138.976%0.76170%0.696SS**Hα-helixtrans-76.2-31.8176.5-77.9-173.1175.3-177.30113.9R761K759-R761 VanDerWaalsContact C-N 3.27Å; K759-R761 PolarHBondContact O-N 3.21Å
760K36.4Very low33.7Very low163 Ų163141.7 Ų141.771%0.70970%0.702SS**THydrogen-bonded Turntrans-76.8-8.1176.3-86.4-178.7177.4171.70114.5
761R33.8Very low33.9Very low219 Ų219139.6 Ų139.683%0.82670%0.699SS**THydrogen-bonded Turntrans-95.3-11178.2-115.7177.8174172-2.5114K759K759-R761 VanDerWaalsContact C-N 3.27Å; K759-R761 PolarHBondContact O-N 3.21Å
762N35.4Very low33.9Very low153 Ų153134.3 Ų134.382%0.81869%0.691SS**  trans-120.526-179.9-73.9-10.2000112.4
763A35.4Very low34Very low152 Ų152135.8 Ų135.8100%1.25670%0.704SS**  trans-118.80169.300000109.4

Retrieved 763 of 763 residues in 2103.1 ms (Link to these results)

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