A0A087YMF4_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087YMF4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 325 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
1M34.5Very low56.4Low213 Ų213127.2 Ų127.2100%1.04966%0.658SS**  0126.30-77.1-168.9-83.300107.4K208M1-K208 HydrophobicContact CE-CD 4.44Å
2A26.5Very low59.6Low102 Ų102123.2 Ų123.284%0.84365%0.646SS**PPolyproline II helixtrans-60139.2-177.500000110.7
3A28.8Very low62.4Low82 Ų82114 Ų11468%0.67860%0.598SS**PPolyproline II helixtrans-48.8143.3170.300000109.9R5A3-R5 PolarHBondContact O-N 2.86Å
4P36.1Very low64.5Low127 Ų127109.1 Ų109.183%0.82558%0.576SS**PPolyproline II helixtrans-56.9116.3176.123-30.2000107.8K6P4-K6 PolarHBondContact O-N 2.7Å
5R41.8Very low65.9Low231 Ų231108.7 Ų108.787%0.87257%0.574SS**PPolyproline II helixtrans-47.7121.7172.5-79.6179.8169.4176-3.5106.5A3 R7A3-R5 PolarHBondContact O-N 2.86Å; R5-R7 PolarHBondContact O-N 3.32Å
6K46.3Very low67.5Low210 Ų210106.9 Ų106.991%0.91357%0.566SS**  trans-47.8107.7168.5-81.1-176.4175-178.30106.2P4 A8P4-K6 PolarHBondContact O-N 2.7Å; K6-A8 PolarHBondContact O-N 2.84Å
7R64.8Low69.2Low127 Ų127103.6 Ų103.648%0.47955%0.545SS..PPolyproline II helixtrans-67.1121.6-176.9-66.5-175.2-178-159.82.7106.2R5 F38 E66 N67R5-R7 PolarHBondContact O-N 3.32Å; R7-F38 HydrophobicContact CB-CD1 4.14Å; R7-F38 HydrophobicContact CB-CE1 4.38Å; R7-E66 PolarHBondContact NH1-O 2.57Å; R7-N67 WeakPolarHBondContact CD-OD1 3.49Å
8A73.4Confident70.8Confident69 Ų69102.1 Ų102.157%0.5754%0.537SS*.PPolyproline II helixtrans-64.1149.9-172.700000111K6K6-A8 PolarHBondContact O-N 2.84Å
9L86.5Confident72.2Confident69 Ų6996.8 Ų96.836%0.36151%0.509SS..PPolyproline II helixtrans-58.7144169.8-72.9173.7000110.4G36 Y64L9-G36 WeakPolarHBondContact CD2-O 3.45Å; L9-Y64 WeakPolarHBondContact O-CE2 3.34Å
10P88.8Confident73.5Confident4 Ų495 Ų953%0.02650%0.502CS..PPolyproline II helixtrans-60.9141.217524.2-30.8000110.7F38 L40 V62 Y64 Y116P10-F38 WeakPolarHBondContact CD-O 3.44Å; P10-L40 HydrophobicContact CG-CB 4.46Å; P10-L40 HydrophobicContact CG-CD1 4.1Å; P10-L40 HydrophobicContact CG-CG 3.92Å; P10-L40 WeakPolarHBondContact O-CD1 3.43Å; P10-V62 WeakPolarHBondContact CG-O 3.12Å; P10-Y64 VanDerWaalsContact CA-CE2 3.49Å; P10-Y64 VanDerWaalsContact CA-CZ 3.47Å; P10-Y64 HydrophobicContact CB-CD1 4.28Å; P10-Y64 HydrophobicContact CB-CD2 4.37Å; P10-Y64 HydrophobicContact CB-CE1 4.2Å; P10-Y64 HydrophobicContact CB-CE2 4.32Å; P10-Y64 HydrophobicContact CB-CG 4.36Å; P10-Y116 HydrophobicContact CB-CD1 4.05Å; P10-Y116 HydrophobicContact CB-CE1 3.75Å
11R92.6Very high74.6Confident165 Ų16590.7 Ų90.762%0.62348%0.479SS*.PPolyproline II helixtrans-59.1132166.7-75.4-175.1-171.4169.9-1108.5L13 Y64 L114 Y116R11-L13 PolarHBondContact O-N 3.13Å; R11-Y64 PolarHBondContact N-OH 3.28Å; R11-L114 HydrophobicContact CB-CD1 4.22Å; R11-L114 HydrophobicContact CG-CD1 4.26Å; R11-Y116 WeakPolarHBondContact O-CE1 3.45Å; R11-Y116 PolarHBondContact O-OH 3.13Å
12P95.4Very high77.6Confident79 Ų7984.9 Ų84.951%0.51346%0.46SS..PPolyproline II helixtrans-53.9135.5179.6-29.736.2000112.9I32 L40 Y42P12-I32 HydrophobicContact CB-CD1 4.02Å; P12-I32 HydrophobicContact CG-CD1 4.24Å; P12-L40 HydrophobicContact CB-CD1 4.21Å; P12-L40 HydrophobicContact CG-CD1 3.94Å; P12-Y42 WeakPolarHBondContact CA-OH 3.45Å
13L95.3Very high80.8Confident4 Ų486 Ų862%0.02145%0.448CS..PPolyproline II helixtrans-73.4150.5164.2-66.1174.9000108.2R11 F17 L19 L29 Y42 V62 Y111 Y116R11-L13 PolarHBondContact O-N 3.13Å; L13-F17 HydrophobicContact CD1-CD1 4.45Å; L13-L19 HydrophobicContact CD1-CD2 4.23Å; L13-L29 HydrophobicContact CB-CD1 3.88Å; L13-L29 HydrophobicContact CD1-CD1 3.83Å; L13-Y42 PolarHBondContact N-OH 2.63Å; L13-V62 HydrophobicContact CD1-CG1 4.25Å; L13-V62 HydrophobicContact CD1-CG2 4.38Å; L13-Y111 HydrophobicContact CD2-CD1 3.94Å; L13-Y111 HydrophobicContact CD2-CG 3.95Å; L13-Y116 HydrophobicContact CD2-CD2 4.02Å; L13-Y116 HydrophobicContact CD2-CE1 4.31Å; L13-Y116 HydrophobicContact CD2-CE2 3.76Å; L13-Y116 HydrophobicContact CD2-CG 4.42Å
14P92.8Very high84.1Confident45 Ų4590.2 Ų90.229%0.29245%0.45SS..PPolyproline II helixtrans-57.7151177.6-23.634.3000112.5F17 Y111P14-F17 HydrophobicContact CB-CB 4.5Å; P14-F17 HydrophobicContact CG-CD2 4.23Å; P14-F17 WeakPolarHBondContact O-CB 3.45Å; P14-F17 PolarHBondContact O-N 3.46Å; P14-Y111 HydrophobicContact CG-CD2 4.46Å; P14-Y111 HydrophobicContact CG-CE1 3.99Å; P14-Y111 HydrophobicContact CG-CE2 3.72Å; P14-Y111 VanDerWaalsContact CG-CZ 3.43Å; P14-Y111 WeakPolarHBondContact CG-OH 3.39Å
15D85.3Confident87Confident103 Ų10387.8 Ų87.855%0.55143%0.427SS*.THydrogen-bonded Turntrans-56.9147.8164.4-69.5-7000109.5F17D15-F17 PolarHBondContact O-N 2.6Å
16D91.6Very high89.7Confident81 Ų8182.4 Ų82.443%0.43341%0.41SS..THydrogen-bonded Turntrans62.26.6-176.8-60.3-53000116I18 R28 L29D16-I18 PolarHBondContact O-N 3.25Å; D16-R28 HydrophobicContact CB-CG 4.47Å; D16-L29 WeakPolarHBondContact CA-O 3.17Å; D16-L29 PolarHBondContact N-O 3.39Å
17F96.3Very high92.1Very high51 Ų5172.4 Ų72.422%0.22437%0.366CS..  trans-57.2131.2174.9-168-87.9000110.5L13 P14 D15 L19 L29 Y111L13-F17 HydrophobicContact CD1-CD1 4.45Å; P14-F17 HydrophobicContact CB-CB 4.5Å; P14-F17 HydrophobicContact CG-CD2 4.23Å; P14-F17 WeakPolarHBondContact O-CB 3.45Å; P14-F17 PolarHBondContact O-N 3.46Å; D15-F17 PolarHBondContact O-N 2.6Å; F17-L19 HydrophobicContact CD1-CD2 3.72Å; F17-L19 HydrophobicContact CD1-CG 4.01Å; F17-L19 HydrophobicContact CE1-CD2 3.56Å; F17-L19 HydrophobicContact CE1-CG 4.3Å; F17-L29 HydrophobicContact CB-CD1 4.2Å; F17-L29 WeakPolarHBondContact O-CG 3.28Å; F17-L29 PolarHBondContact O-N 3Å; F17-Y111 AromaticContact CE2-CD2 4Å; F17-Y111 HydrophobicContact CE2-CD2 4Å
18I97.6Very high93.7Very high75 Ų7568.3 Ų68.339%0.38535%0.351SS..EExtended strand (participates in β ladder)trans-97.5115.2-178.5-59.7176.7000109.1D16 K26 W27 V48D16-I18 PolarHBondContact O-N 3.25Å; I18-K26 HydrophobicContact CG2-CB 4.17Å; I18-K26 HydrophobicContact CG2-CD 4.41Å; I18-W27 CarbonylContact C-O 3.28Å; I18-W27 WeakPolarHBondContact CA-O 3.31Å; I18-V48 HydrophobicContact CD1-CB 4.35Å; I18-V48 HydrophobicContact CG2-CG1 4.36Å
19L97.8Very high94.9Very high2 Ų265 Ų651%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-92145.2171.7-61.7168.5000109.7L13 F17 K26 W27 L29 I60 A109 F118L13-L19 HydrophobicContact CD1-CD2 4.23Å; F17-L19 HydrophobicContact CD1-CD2 3.72Å; F17-L19 HydrophobicContact CD1-CG 4.01Å; F17-L19 HydrophobicContact CE1-CD2 3.56Å; F17-L19 HydrophobicContact CE1-CG 4.3Å; L19-K26 CarbonylContact O-C 3.59Å; L19-K26 WeakPolarHBondContact O-CA 3.49Å; L19-W27 HydrophobicContact CB-CB 4.5Å; L19-W27 PolarHBondContact N-O 3.1Å; L19-W27 PolarHBondContact O-N 3.17Å; L19-L29 HydrophobicContact CD1-CD1 3.96Å; L19-L29 HydrophobicContact CD1-CD2 3.62Å; L19-L29 HydrophobicContact CD1-CG 3.88Å; L19-L29 HydrophobicContact CG-CD1 4.43Å; L19-L29 HydrophobicContact CG-CG 4.32Å; L19-I60 HydrophobicContact CD1-CD1 3.99Å; L19-I60 HydrophobicContact CD1-CG2 3.92Å; L19-A109 HydrophobicContact CD2-CB 3.32Å; L19-F118 HydrophobicContact CB-CE1 4.01Å; L19-F118 HydrophobicContact CB-CE2 4.11Å; L19-F118 HydrophobicContact CB-CZ 3.79Å; L19-F118 HydrophobicContact CD1-CB 4.32Å; L19-F118 HydrophobicContact CD1-CD1 4.15Å; L19-F118 HydrophobicContact CD1-CD2 4.04Å; L19-F118 HydrophobicContact CD1-CE1 4.46Å; L19-F118 HydrophobicContact CD1-CE2 4.38Å; L19-F118 HydrophobicContact CD1-CG 3.91Å; L19-F118 HydrophobicContact CD2-CD1 4.02Å; L19-F118 HydrophobicContact CD2-CE1 4.07Å; L19-F118 HydrophobicContact CG-CD1 4.49Å; L19-F118 HydrophobicContact CG-CE1 4.43Å
20T98.1Very high95.4Very high61 Ų6162.1 Ų62.137%0.37431%0.31SS..EExtended strand (participates in β ladder)trans-118.6120.7170.6-57.60000107.8K24 K25T20-K24 HydrophobicContact CG2-CD 4.43Å; T20-K25 WeakPolarHBondContact CA-O 3.47Å
21D97.3Very high95.8Very high4 Ų469.2 Ų69.22%0.02134%0.341CS..  trans-78.8175-179.97123.1000112.5E23 K24 K25 W27 F118D21-E23 PolarHBondContact O-N 3.15Å; D21-E23 VanDerWaalsContact O-N 3.16Å; D21-E23 VanDerWaalsContact OD1-C 3.28Å; D21-E23 WeakPolarHBondContact OD1-CA 3.42Å; D21-E23 PolarHBondContact OD1-N 3.1Å; D21-K24 PolarHBondContact O-N 2.92Å; D21-K24 PolarHBondContact OD1-N 3.28Å; D21-K24 VanDerWaalsContact OD1-N 3.07Å; D21-K25 PolarHBondContact N-O 3.46Å; D21-K25 PolarHBondContact OD1-N 2.64Å; D21-K25 WeakPolarHBondContact OD2-CB 3.31Å; D21-W27 PolarHBondContact OD2-NE1 2.63Å; D21-F118 HydrophobicContact CB-CE2 4.07Å; D21-F118 HydrophobicContact CB-CZ 4.01Å
22S96.3Very high95.9Very high92 Ų9264.1 Ų64.164%0.64333%0.325SS*.THydrogen-bonded Turntrans-61.4-21.9-179.2-54.20000113.2K24 S106S22-K24 VanDerWaalsContact C-N 3.35Å; S22-S106 WeakPolarHBondContact CB-O 3.34Å; S22-S106 PolarHBondContact N-O 3.39Å; S22-S106 PolarHBondContact OG-O 3.48Å
23E95.1Very high95.9Very high125 Ų12564.2 Ų64.258%0.58432%0.321SS*.THydrogen-bonded Turntrans-95.411.3177.3-63.2-175.8177.400112.5D21 K25D21-E23 PolarHBondContact O-N 3.15Å; D21-E23 VanDerWaalsContact O-N 3.16Å; D21-E23 VanDerWaalsContact OD1-C 3.28Å; D21-E23 WeakPolarHBondContact OD1-CA 3.42Å; D21-E23 PolarHBondContact OD1-N 3.1Å; E23-K25 PolarHBondContact O-N 3.28Å; E23-K25 WeakPolarHBondContact OE2-CE 3.36Å; E23-K25 IonicContact OE2-NZ 3.69Å; E23-K25 PolarHBondContact OE2-NZ 2.88Å
24K96.7Very high95.6Very high170 Ų17065.1 Ų65.174%0.73933%0.331SS*.SBendtrans66.611.4-179.2-49.7-59.5-175.2-177.90114.7T20 D21 S22T20-K24 HydrophobicContact CG2-CD 4.43Å; D21-K24 PolarHBondContact O-N 2.92Å; D21-K24 PolarHBondContact OD1-N 3.28Å; D21-K24 VanDerWaalsContact OD1-N 3.07Å; S22-K24 VanDerWaalsContact C-N 3.35Å
25K97.3Very high95.3Very high76 Ų7669.5 Ų69.533%0.3335%0.348SS..  trans-72.7140169.5-54164175.9150.50108.6T20 D21 E23 W104T20-K25 WeakPolarHBondContact CA-O 3.47Å; D21-K25 PolarHBondContact N-O 3.46Å; D21-K25 PolarHBondContact OD1-N 2.64Å; D21-K25 WeakPolarHBondContact OD2-CB 3.31Å; E23-K25 PolarHBondContact O-N 3.28Å; E23-K25 WeakPolarHBondContact OE2-CE 3.36Å; E23-K25 IonicContact OE2-NZ 3.69Å; E23-K25 PolarHBondContact OE2-NZ 2.88Å; K25-W104 PolarHBondContact NZ-O 3.14Å
26K98.1Very high94.7Very high118 Ų11866.8 Ų66.851%0.51334%0.344SS..EExtended strand (participates in β ladder)trans-99.8141.3178.8-61.8-174.3179.4179.10110I18 L19 V48I18-K26 HydrophobicContact CG2-CB 4.17Å; I18-K26 HydrophobicContact CG2-CD 4.41Å; L19-K26 CarbonylContact O-C 3.59Å; L19-K26 WeakPolarHBondContact O-CA 3.49Å; K26-V48 HydrophobicContact CB-CG1 3.75Å; K26-V48 HydrophobicContact CB-CG2 4.5Å
27W98.2Very high93.8Very high0 Ų065.9 Ų65.90%035%0.354CS..EExtended strand (participates in β ladder)trans-132.4123.2180-61.188.9000109.1I18 L19 D21 A44 S45 Q46 F58 I60 W104 A120I18-W27 CarbonylContact C-O 3.28Å; I18-W27 WeakPolarHBondContact CA-O 3.31Å; L19-W27 HydrophobicContact CB-CB 4.5Å; L19-W27 PolarHBondContact N-O 3.1Å; L19-W27 PolarHBondContact O-N 3.17Å; D21-W27 PolarHBondContact OD2-NE1 2.63Å; W27-A44 HydrophobicContact CE3-CB 4.21Å; W27-S45 CarbonylContact C-O 3.57Å; W27-S45 WeakPolarHBondContact CA-O 3.29Å; W27-Q46 HydrophobicContact CD2-CG 4.09Å; W27-Q46 HydrophobicContact CE3-CG 3.66Å; W27-Q46 HydrophobicContact CH2-CG 3.55Å; W27-Q46 HydrophobicContact CZ2-CG 3.96Å; W27-Q46 HydrophobicContact CZ3-CG 3.38Å; W27-F58 HydrophobicContact CH2-CD1 4.3Å; W27-F58 HydrophobicContact CH2-CG 4.36Å; W27-F58 HydrophobicContact CZ3-CB 3.93Å; W27-F58 HydrophobicContact CZ3-CD1 4.17Å; W27-F58 HydrophobicContact CZ3-CD2 4.1Å; W27-F58 AromaticContact CZ3-CG 3.79Å; W27-F58 HydrophobicContact CZ3-CG 3.79Å; W27-I60 HydrophobicContact CB-CD1 3.4Å; W27-I60 VanDerWaalsContact CB-CD1 3.4Å; W27-I60 HydrophobicContact CD2-CD1 4.25Å; W27-I60 HydrophobicContact CE3-CD1 4.42Å; W27-I60 HydrophobicContact CG-CD1 3.86Å; W27-W104 HydrophobicContact CH2-CB 3.72Å; W27-W104 HydrophobicContact CH2-CG 4.29Å; W27-W104 HydrophobicContact CZ2-CB 3.79Å; W27-A120 HydrophobicContact CD2-CB 4.04Å; W27-A120 HydrophobicContact CE3-CB 4.28Å; W27-A120 HydrophobicContact CH2-CB 3.9Å; W27-A120 HydrophobicContact CZ2-CB 3.63Å; W27-A120 HydrophobicContact CZ3-CB 4.21Å
28R98.1Very high93.1Very high41 Ų4167.4 Ų67.416%0.15536%0.36CS..EExtended strand (participates in β ladder)trans-87.1131.3171.2179.7174.3-86.8164.8-7.5109D16 A44 S45 V48 S49 K50 V52D16-R28 HydrophobicContact CB-CG 4.47Å; R28-A44 WeakPolarHBondContact O-CA 3.38Å; R28-S45 PolarHBondContact N-O 3.32Å; R28-S45 PolarHBondContact O-N 3.11Å; R28-S45 VanDerWaalsContact O-N 3.09Å; R28-V48 HydrophobicContact CB-CB 4.43Å; R28-V48 HydrophobicContact CB-CG1 4.11Å; R28-V48 PolarHBondContact NH1-O 2.9Å; R28-V48 PolarHBondContact NH2-O 3.07Å; R28-S49 PolarHBondContact NH1-O 2.79Å; R28-K50 WeakPolarHBondContact CD-O 3.16Å; R28-K50 PolarHBondContact NH1-O 3.14Å; R28-V52 HydrophobicContact CB-CG2 4.06Å; R28-V52 HydrophobicContact CG-CG2 3.78Å; R28-V52 VanDerWaalsContact O-CG2 3.26Å; R28-V52 WeakPolarHBondContact O-CG2 3.38Å
29L98Very high92.7Very high0 Ų064 Ų640%034%0.343CS..EExtended strand (participates in β ladder)trans-79.8136172.9-65.7-170.3000111.2L13 D16 F17 L19 Y42 I60L13-L29 HydrophobicContact CB-CD1 3.88Å; L13-L29 HydrophobicContact CD1-CD1 3.83Å; D16-L29 WeakPolarHBondContact CA-O 3.17Å; D16-L29 PolarHBondContact N-O 3.39Å; F17-L29 HydrophobicContact CB-CD1 4.2Å; F17-L29 WeakPolarHBondContact O-CG 3.28Å; F17-L29 PolarHBondContact O-N 3Å; L19-L29 HydrophobicContact CD1-CD1 3.96Å; L19-L29 HydrophobicContact CD1-CD2 3.62Å; L19-L29 HydrophobicContact CD1-CG 3.88Å; L19-L29 HydrophobicContact CG-CD1 4.43Å; L19-L29 HydrophobicContact CG-CG 4.32Å; L29-Y42 HydrophobicContact CB-CD1 4.27Å; L29-Y42 HydrophobicContact CD1-CD1 4.06Å; L29-Y42 HydrophobicContact CD1-CD2 4.45Å; L29-Y42 HydrophobicContact CD1-CE1 4.26Å; L29-Y42 HydrophobicContact CD1-CG 4.17Å; L29-Y42 HydrophobicContact CD2-CG 4.15Å; L29-I60 HydrophobicContact CD2-CB 3.83Å; L29-I60 HydrophobicContact CD2-CD1 3.71Å; L29-I60 HydrophobicContact CD2-CG1 4.35Å; L29-I60 HydrophobicContact CD2-CG2 3.9Å
30G97.1Very high92.6Very high8 Ų864 Ų648%0.08234%0.344CS..EExtended strand (participates in β ladder)trans-105.6-154.5169.400000111.1Y42 L43G30-Y42 WeakPolarHBondContact O-CD1 3.32Å; G30-L43 PolarHBondContact N-O 2.96Å
31K96.1Very high92.5Very high154 Ų15463 Ų6367%0.6734%0.335SS*.EExtended strand (participates in β ladder)trans-63.4148.7179.3-62.1-178.1180179.60112.1L43K31-L43 PolarHBondContact O-N 3.37Å
32I96.3Very high92.5Very high57 Ų5762.9 Ų62.929%0.29233%0.334SS..EExtended strand (participates in β ladder)trans-69.7129.9167.3-62.4169.8000109P12 Q35 L40 I41 Y42P12-I32 HydrophobicContact CB-CD1 4.02Å; P12-I32 HydrophobicContact CG-CD1 4.24Å; I32-Q35 HydrophobicContact CG2-CG 4.41Å; I32-L40 HydrophobicContact CD1-CD1 4.18Å; I32-L40 HydrophobicContact CG2-CD2 4.47Å; I32-I41 CarbonylContact C-O 3.6Å; I32-I41 WeakPolarHBondContact CA-O 3Å; I32-Y42 HydrophobicContact CD1-CE1 3.74Å; I32-Y42 HydrophobicContact CG1-CD1 3.59Å; I32-Y42 HydrophobicContact CG1-CE1 3.3Å; I32-Y42 HydrophobicContact CG1-CE2 4.33Å; I32-Y42 HydrophobicContact CG1-CG 4.22Å
33I94.5Very high92.6Very high81 Ų8158.9 Ų58.942%0.41531%0.306SS..EExtended strand (participates in β ladder)trans-117.2-11178.359.6164.1000113.4I41 L43 V59I33-I41 HydrophobicContact CD1-CG2 4.21Å; I33-I41 HydrophobicContact CG1-CB 4.37Å; I33-I41 HydrophobicContact CG1-CG2 3.95Å; I33-I41 PolarHBondContact N-O 3.43Å; I33-L43 HydrophobicContact CD1-CD2 3.8Å; I33-L43 HydrophobicContact CG1-CD2 4.41Å; I33-L43 HydrophobicContact CG2-CD1 4.03Å; I33-L43 HydrophobicContact CG2-CD2 3.85Å; I33-L43 HydrophobicContact CG2-CG 3.64Å; I33-V59 HydrophobicContact CD1-CG1 3.67Å
34G89.6Confident92.7Very high23 Ų2353 Ų5324%0.23728%0.278CS..EExtended strand (participates in β ladder)trans-155.4148.7-178.500000112.4I41G34-I41 PolarHBondContact N-O 3.23Å; G34-I41 PolarHBondContact O-N 3.3Å
35Q86.7Confident92.7Very high138 Ų13845.7 Ų45.765%0.64525%0.249SC*.EExtended strand (participates in β ladder)trans-128.2112.4172.6-54.9-173.5-2.800106.7I32 L40I32-Q35 HydrophobicContact CG2-CG 4.41Å; Q35-L40 HydrophobicContact CB-CD2 4.28Å; Q35-L40 HydrophobicContact CG-CD2 3.71Å
36G72.8Confident92.7Very high46 Ų4646.2 Ų46.247%0.47425%0.253SS..  trans-86.4-166176.900000111.6L9 F38 G39L9-G36 WeakPolarHBondContact CD2-O 3.45Å; G36-F38 VanDerWaalsContact C-N 3.3Å; G36-F38 PolarHBondContact O-N 2.93Å; G36-G39 PolarHBondContact N-O 2.91Å
37G72.6Confident92.6Very high61 Ų6143.8 Ų43.863%0.62925%0.245SC*.SBendtrans-67.3-29.1174.500000114
38F80.2Confident92.5Very high84 Ų8445.7 Ų45.737%0.36826%0.256SS..SBendtrans-132.9-5.4-169.8-56.2-73.8000114.6R7 P10 G36 E63 N67 P69R7-F38 HydrophobicContact CB-CD1 4.14Å; R7-F38 HydrophobicContact CB-CE1 4.38Å; P10-F38 WeakPolarHBondContact CD-O 3.44Å; G36-F38 VanDerWaalsContact C-N 3.3Å; G36-F38 PolarHBondContact O-N 2.93Å; F38-E63 HydrophobicContact CB-CG 4.48Å; F38-E63 WeakPolarHBondContact CB-OE1 3.37Å; F38-E63 WeakPolarHBondContact O-CG 3.4Å; F38-N67 PolarHBondContact O-ND2 3.24Å; F38-P69 HydrophobicContact CD1-CG 4.48Å; F38-P69 HydrophobicContact CD2-CB 4.13Å; F38-P69 HydrophobicContact CD2-CG 3.77Å; F38-P69 HydrophobicContact CE2-CG 3.97Å; F38-P69 HydrophobicContact CG-CG 4.04Å; F38-P69 HydrophobicContact CZ-CG 4.41Å
39G90.6Very high92.4Very high2 Ų247.9 Ų47.92%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-151.8165.9-168.300000114.9G36 V62G36-G39 PolarHBondContact N-O 2.91Å; G39-V62 CarbonylContact C-O 3.07Å; G39-V62 WeakPolarHBondContact CA-O 3.36Å
40L95.5Very high92.2Very high4 Ų454 Ų542%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-108.7141.7175.8-65.2173.5000109.5P10 P12 I32 Q35 Y42 K61 V62P10-L40 HydrophobicContact CG-CB 4.46Å; P10-L40 HydrophobicContact CG-CD1 4.1Å; P10-L40 HydrophobicContact CG-CG 3.92Å; P10-L40 WeakPolarHBondContact O-CD1 3.43Å; P12-L40 HydrophobicContact CB-CD1 4.21Å; P12-L40 HydrophobicContact CG-CD1 3.94Å; I32-L40 HydrophobicContact CD1-CD1 4.18Å; I32-L40 HydrophobicContact CG2-CD2 4.47Å; Q35-L40 HydrophobicContact CB-CD2 4.28Å; Q35-L40 HydrophobicContact CG-CD2 3.71Å; L40-Y42 HydrophobicContact CB-CD2 4.31Å; L40-Y42 HydrophobicContact CB-CE2 3.57Å; L40-Y42 HydrophobicContact CD1-CE2 4.31Å; L40-Y42 WeakPolarHBondContact CD1-OH 3.15Å; L40-K61 CarbonylContact O-C 3.49Å; L40-K61 WeakPolarHBondContact O-CA 3.24Å; L40-V62 PolarHBondContact N-O 2.93Å; L40-V62 PolarHBondContact O-N 3.01Å
41I95.8Very high92.2Very high39 Ų3958.3 Ų58.320%0.233%0.332CS..EExtended strand (participates in β ladder)trans-110.7116.4176.3-50.2-60.4000108.7I32 I33 G34 V59 I60 K61I32-I41 CarbonylContact C-O 3.6Å; I32-I41 WeakPolarHBondContact CA-O 3Å; I33-I41 HydrophobicContact CD1-CG2 4.21Å; I33-I41 HydrophobicContact CG1-CB 4.37Å; I33-I41 HydrophobicContact CG1-CG2 3.95Å; I33-I41 PolarHBondContact N-O 3.43Å; G34-I41 PolarHBondContact N-O 3.23Å; G34-I41 PolarHBondContact O-N 3.3Å; I41-V59 HydrophobicContact CG2-CB 3.75Å; I41-V59 HydrophobicContact CG2-CG1 4.03Å; I41-V59 HydrophobicContact CG2-CG2 4.09Å; I41-I60 WeakPolarHBondContact CA-O 3.38Å; I41-K61 HydrophobicContact CD1-CB 3.55Å; I41-K61 HydrophobicContact CD1-CD 3.9Å; I41-K61 HydrophobicContact CD1-CG 3.54Å
42Y97.6Very high92.2Very high1 Ų152.1 Ų52.10%0.00431%0.306CS..EExtended strand (participates in β ladder)trans-102146.6176.4-63-102.6000109.8P12 L13 L29 G30 I32 L40 V59 I60 V62P12-Y42 WeakPolarHBondContact CA-OH 3.45Å; L13-Y42 PolarHBondContact N-OH 2.63Å; L29-Y42 HydrophobicContact CB-CD1 4.27Å; L29-Y42 HydrophobicContact CD1-CD1 4.06Å; L29-Y42 HydrophobicContact CD1-CD2 4.45Å; L29-Y42 HydrophobicContact CD1-CE1 4.26Å; L29-Y42 HydrophobicContact CD1-CG 4.17Å; L29-Y42 HydrophobicContact CD2-CG 4.15Å; G30-Y42 WeakPolarHBondContact O-CD1 3.32Å; I32-Y42 HydrophobicContact CD1-CE1 3.74Å; I32-Y42 HydrophobicContact CG1-CD1 3.59Å; I32-Y42 HydrophobicContact CG1-CE1 3.3Å; I32-Y42 HydrophobicContact CG1-CE2 4.33Å; I32-Y42 HydrophobicContact CG1-CG 4.22Å; L40-Y42 HydrophobicContact CB-CD2 4.31Å; L40-Y42 HydrophobicContact CB-CE2 3.57Å; L40-Y42 HydrophobicContact CD1-CE2 4.31Å; L40-Y42 WeakPolarHBondContact CD1-OH 3.15Å; Y42-V59 CarbonylContact O-C 3.33Å; Y42-V59 WeakPolarHBondContact O-CA 3.5Å; Y42-V59 VanDerWaalsContact O-CB 3.31Å; Y42-V59 WeakPolarHBondContact O-CB 3.42Å; Y42-I60 PolarHBondContact N-O 3.37Å; Y42-I60 PolarHBondContact O-N 3.08Å; Y42-V62 HydrophobicContact CD2-CG2 3.87Å; Y42-V62 HydrophobicContact CE2-CB 4.13Å; Y42-V62 HydrophobicContact CE2-CG2 3.81Å
43L97.6Very high92.2Very high9 Ų952.2 Ų52.25%0.04731%0.311CS..EExtended strand (participates in β ladder)trans-60.3148.9157-64.9176.6000109.4G30 K31 I33 V52 T56G30-L43 PolarHBondContact N-O 2.96Å; K31-L43 PolarHBondContact O-N 3.37Å; I33-L43 HydrophobicContact CD1-CD2 3.8Å; I33-L43 HydrophobicContact CG1-CD2 4.41Å; I33-L43 HydrophobicContact CG2-CD1 4.03Å; I33-L43 HydrophobicContact CG2-CD2 3.85Å; I33-L43 HydrophobicContact CG2-CG 3.64Å; L43-V52 HydrophobicContact CB-CG1 3.81Å; L43-T56 HydrophobicContact CB-CG2 3.81Å; L43-T56 HydrophobicContact CD2-CG2 3.76Å; L43-T56 HydrophobicContact CG-CG2 4.25Å
44A97.9Very high92.2Very high0 Ų052.9 Ų52.90%032%0.322CS..EExtended strand (participates in β ladder)trans-139.7153.8-178.900000112.4W27 R28 T56 F58 I60W27-A44 HydrophobicContact CE3-CB 4.21Å; R28-A44 WeakPolarHBondContact O-CA 3.38Å; A44-T56 WeakPolarHBondContact O-CB 3.37Å; A44-T56 WeakPolarHBondContact O-CG2 3.26Å; A44-T56 PolarHBondContact O-OG1 3.31Å; A44-F58 HydrophobicContact CB-CB 4.15Å; A44-F58 PolarHBondContact N-O 3.28Å; A44-I60 HydrophobicContact CB-CB 4.28Å; A44-I60 HydrophobicContact CB-CD1 3.68Å; A44-I60 HydrophobicContact CB-CG1 3.73Å
45S97.3Very high92.5Very high17 Ų1755.5 Ų55.512%0.11933%0.331CS..EExtended strand (participates in β ladder)trans-140.8143.4170.5-179.80000111W27 R28 D47W27-S45 CarbonylContact C-O 3.57Å; W27-S45 WeakPolarHBondContact CA-O 3.29Å; R28-S45 PolarHBondContact N-O 3.32Å; R28-S45 PolarHBondContact O-N 3.11Å; R28-S45 VanDerWaalsContact O-N 3.09Å; S45-D47 PolarHBondContact OG-N 2.9Å; S45-D47 VanDerWaalsContact OG-N 3.1Å
46Q96.3Very high93Very high88 Ų8849.4 Ų49.441%0.41130%0.304SS..SBendtrans-79.5-24.1169.5-66.7-172.8-35.400112.4W27 V48W27-Q46 HydrophobicContact CD2-CG 4.09Å; W27-Q46 HydrophobicContact CE3-CG 3.66Å; W27-Q46 HydrophobicContact CH2-CG 3.55Å; W27-Q46 HydrophobicContact CZ2-CG 3.96Å; W27-Q46 HydrophobicContact CZ3-CG 3.38Å; Q46-V48 VanDerWaalsContact C-N 3.34Å; Q46-V48 PolarHBondContact O-N 3.08Å
47D96Very high94.1Very high67 Ų6750.6 Ų50.636%0.35830%0.299SS..  trans-76.489.1170.3-176.1-2000109.1S45 S49 K50S45-D47 PolarHBondContact OG-N 2.9Å; S45-D47 VanDerWaalsContact OG-N 3.1Å; D47-S49 PolarHBondContact O-N 3.34Å; D47-S49 VanDerWaalsContact OD1-CB 3.3Å; D47-S49 WeakPolarHBondContact OD1-CB 3.44Å; D47-S49 PolarHBondContact OD1-N 3.07Å; D47-S49 PolarHBondContact OD1-OG 3.36Å; D47-K50 IonicContact OD2-NZ 2.85Å
48V96.3Very high95.3Very high39 Ų3949.7 Ų49.724%0.23628%0.278CS..THydrogen-bonded Turntrans-77.26.2178.2-56.10000113.3I18 K26 R28 Q46I18-V48 HydrophobicContact CD1-CB 4.35Å; I18-V48 HydrophobicContact CG2-CG1 4.36Å; K26-V48 HydrophobicContact CB-CG1 3.75Å; K26-V48 HydrophobicContact CB-CG2 4.5Å; R28-V48 HydrophobicContact CB-CB 4.43Å; R28-V48 HydrophobicContact CB-CG1 4.11Å; R28-V48 PolarHBondContact NH1-O 2.9Å; R28-V48 PolarHBondContact NH2-O 3.07Å; Q46-V48 VanDerWaalsContact C-N 3.34Å; Q46-V48 PolarHBondContact O-N 3.08Å
49S95.6Very high96.1Very high88 Ų8846.1 Ų46.162%0.61526%0.263SS*.THydrogen-bonded Turntrans-85.3-27.2174.674.80000112.1R28 D47R28-S49 PolarHBondContact NH1-O 2.79Å; D47-S49 PolarHBondContact O-N 3.34Å; D47-S49 VanDerWaalsContact OD1-CB 3.3Å; D47-S49 WeakPolarHBondContact OD1-CB 3.44Å; D47-S49 PolarHBondContact OD1-N 3.07Å; D47-S49 PolarHBondContact OD1-OG 3.36Å
50K94.8Very high96.5Very high128 Ų12846 Ų4656%0.55726%0.262SS*.SBendtrans-118.1153.6-175.8-63.8170.1-168.5162.70113.3R28 D47R28-K50 WeakPolarHBondContact CD-O 3.16Å; R28-K50 PolarHBondContact NH1-O 3.14Å; D47-K50 IonicContact OD2-NZ 2.85Å
51P95.6Very high96.5Very high99 Ų9946.9 Ų46.964%0.64327%0.265SS*.PPolyproline II helixtrans-53.3148.7171.6-2534.7000111.3P53P51-P53 WeakPolarHBondContact O-CD 3.01Å
52V97.3Very high96.5Very high23 Ų2345 Ų4514%0.13926%0.256CS..PPolyproline II helixtrans-68.6122.6-179.1-177.30000109.8R28 L43 T56R28-V52 HydrophobicContact CB-CG2 4.06Å; R28-V52 HydrophobicContact CG-CG2 3.78Å; R28-V52 VanDerWaalsContact O-CG2 3.26Å; R28-V52 WeakPolarHBondContact O-CG2 3.38Å; L43-V52 HydrophobicContact CB-CG1 3.81Å; V52-T56 HydrophobicContact CG1-CG2 3.8Å
53P95.7Very high96.4Very high59 Ų5945.1 Ų45.138%0.38326%0.257SS..PPolyproline II helixtrans-71.4148.7-179.630.8-34.7000110.9P51 D55 T56P51-P53 WeakPolarHBondContact O-CD 3.01Å; P53-D55 WeakPolarHBondContact CB-OD1 3.46Å; P53-D55 PolarHBondContact O-N 2.81Å; P53-T56 WeakPolarHBondContact O-CG2 3.28Å; P53-T56 PolarHBondContact O-N 3.39Å
54S94.9Very high96.3Very high95 Ų9546.3 Ų46.366%0.66426%0.261SS*.THydrogen-bonded Turntrans-66.1-18.3-177.952.30000113.9R123S54-R123 PolarHBondContact O-NH1 3.35Å; S54-R123 PolarHBondContact O-NH2 3.09Å
55D95.2Very high96Very high78 Ų7849.2 Ų49.242%0.41727%0.274SS..THydrogen-bonded Turntrans-107.318.7179.671.6-35.3000112.9P53 Y177 R178P53-D55 WeakPolarHBondContact CB-OD1 3.46Å; P53-D55 PolarHBondContact O-N 2.81Å; D55-Y177 WeakPolarHBondContact CA-OH 3.42Å; D55-R178 PolarHBondContact O-NH2 2.95Å
56T96.9Very high95.5Very high11 Ų1155.7 Ų55.77%0.06730%0.302CS..  trans-55.1146.7173.2-1760000112.1L43 A44 V52 P53 F58 R123L43-T56 HydrophobicContact CB-CG2 3.81Å; L43-T56 HydrophobicContact CD2-CG2 3.76Å; L43-T56 HydrophobicContact CG-CG2 4.25Å; A44-T56 WeakPolarHBondContact O-CB 3.37Å; A44-T56 WeakPolarHBondContact O-CG2 3.26Å; A44-T56 PolarHBondContact O-OG1 3.31Å; V52-T56 HydrophobicContact CG1-CG2 3.8Å; P53-T56 WeakPolarHBondContact O-CG2 3.28Å; P53-T56 PolarHBondContact O-N 3.39Å; T56-F58 VanDerWaalsContact C-N 3.32Å; T56-F58 WeakPolarHBondContact CG2-O 3.36Å; T56-F58 PolarHBondContact OG1-N 3.24Å; T56-R123 WeakPolarHBondContact O-CD 3.39Å; T56-R123 PolarHBondContact O-NH1 3.3Å
57D96.6Very high95.1Very high71 Ų7151.6 Ų51.638%0.3828%0.283SS..SBendtrans-85.9-0.7177.9-60.5-53.3000113.3R123 R178D57-R123 WeakPolarHBondContact O-CB 3.41Å; D57-R123 PolarHBondContact O-N 2.78Å; D57-R178 IonicContact OD1-CZ 2.66Å; D57-R178 VanDerWaalsContact OD1-CZ 3.26Å; D57-R178 IonicContact OD1-NE 2.62Å; D57-R178 PolarHBondContact OD1-NE 3.42Å; D57-R178 IonicContact OD1-NH2 2.9Å; D57-R178 PolarHBondContact OD1-NH2 3.47Å; D57-R178 IonicContact OD2-NH2 3.54Å
58F97.3Very high94.5Very high41 Ų4149.8 Ų49.818%0.1828%0.28CS..EExtended strand (participates in β ladder)trans-118.8145.9-177.3-53.8-68.6000112.9W27 A44 T56 W104W27-F58 HydrophobicContact CH2-CD1 4.3Å; W27-F58 HydrophobicContact CH2-CG 4.36Å; W27-F58 HydrophobicContact CZ3-CB 3.93Å; W27-F58 HydrophobicContact CZ3-CD1 4.17Å; W27-F58 HydrophobicContact CZ3-CD2 4.1Å; W27-F58 AromaticContact CZ3-CG 3.79Å; W27-F58 HydrophobicContact CZ3-CG 3.79Å; A44-F58 HydrophobicContact CB-CB 4.15Å; A44-F58 PolarHBondContact N-O 3.28Å; T56-F58 VanDerWaalsContact C-N 3.32Å; T56-F58 WeakPolarHBondContact CG2-O 3.36Å; T56-F58 PolarHBondContact OG1-N 3.24Å; F58-W104 AromaticContact CD1-CD1 3.8Å; F58-W104 HydrophobicContact CD1-CG 4.31Å; F58-W104 AromaticContact CD1-NE1 3.8Å; F58-W104 AromaticContact CE1-CD1 3.86Å; F58-W104 AromaticContact CE1-CD2 3.98Å; F58-W104 HydrophobicContact CE1-CD2 3.98Å; F58-W104 AromaticContact CE1-CE2 3.6Å; F58-W104 HydrophobicContact CE1-CG 4.16Å; F58-W104 HydrophobicContact CE1-CZ2 4.03Å; F58-W104 AromaticContact CE1-NE1 3.53Å
59V97.6Very high94.1Very high9 Ų949 Ų496%0.05528%0.277CS..EExtended strand (participates in β ladder)trans-126.5155.2167.8-63.40000111.1I33 I41 Y42 A120 M121 R123I33-V59 HydrophobicContact CD1-CG1 3.67Å; I41-V59 HydrophobicContact CG2-CB 3.75Å; I41-V59 HydrophobicContact CG2-CG1 4.03Å; I41-V59 HydrophobicContact CG2-CG2 4.09Å; Y42-V59 CarbonylContact O-C 3.33Å; Y42-V59 WeakPolarHBondContact O-CA 3.5Å; Y42-V59 VanDerWaalsContact O-CB 3.31Å; Y42-V59 WeakPolarHBondContact O-CB 3.42Å; V59-A120 WeakPolarHBondContact O-CA 3.31Å; V59-M121 HydrophobicContact CG2-CG 3.57Å; V59-M121 HydrophobicContact CG2-SD 4.49Å; V59-M121 PolarHBondContact N-O 3.38Å; V59-M121 PolarHBondContact O-N 2.98Å; V59-R123 HydrophobicContact CG1-CB 3.84Å; V59-R123 HydrophobicContact CG1-CG 3.84Å
60I97.6Very high93.9Very high0 Ų044.9 Ų44.90%025%0.247CC..EExtended strand (participates in β ladder)trans-116.6119.1169-79.1167.1000109.5L19 W27 L29 I41 Y42 A44 V62 F118 M119 A120L19-I60 HydrophobicContact CD1-CD1 3.99Å; L19-I60 HydrophobicContact CD1-CG2 3.92Å; W27-I60 HydrophobicContact CB-CD1 3.4Å; W27-I60 VanDerWaalsContact CB-CD1 3.4Å; W27-I60 HydrophobicContact CD2-CD1 4.25Å; W27-I60 HydrophobicContact CE3-CD1 4.42Å; W27-I60 HydrophobicContact CG-CD1 3.86Å; L29-I60 HydrophobicContact CD2-CB 3.83Å; L29-I60 HydrophobicContact CD2-CD1 3.71Å; L29-I60 HydrophobicContact CD2-CG1 4.35Å; L29-I60 HydrophobicContact CD2-CG2 3.9Å; I41-I60 WeakPolarHBondContact CA-O 3.38Å; Y42-I60 PolarHBondContact N-O 3.37Å; Y42-I60 PolarHBondContact O-N 3.08Å; A44-I60 HydrophobicContact CB-CB 4.28Å; A44-I60 HydrophobicContact CB-CD1 3.68Å; A44-I60 HydrophobicContact CB-CG1 3.73Å; I60-V62 HydrophobicContact CG2-CG2 3.62Å; I60-F118 HydrophobicContact CG2-CB 3.9Å; I60-F118 HydrophobicContact CG2-CD2 4.24Å; I60-F118 HydrophobicContact CG2-CG 4.44Å; I60-M119 CarbonylContact C-O 3.27Å; I60-M119 WeakPolarHBondContact CA-O 3.38Å; I60-A120 HydrophobicContact CG1-CB 3.96Å
61K96.4Very high93.8Very high22 Ų2243.2 Ų43.210%0.09624%0.24CC..EExtended strand (participates in β ladder)trans-85.2129.7168.1-178.3168.2-179.8-176.40109.1L40 I41 E63 L70 E73 F118 M119 D187L40-K61 CarbonylContact O-C 3.49Å; L40-K61 WeakPolarHBondContact O-CA 3.24Å; I41-K61 HydrophobicContact CD1-CB 3.55Å; I41-K61 HydrophobicContact CD1-CD 3.9Å; I41-K61 HydrophobicContact CD1-CG 3.54Å; K61-E63 WeakPolarHBondContact CE-OE1 3.37Å; K61-E63 IonicContact NZ-OE1 3.55Å; K61-L70 HydrophobicContact CD-CD1 3.91Å; K61-L70 HydrophobicContact CG-CD1 4.07Å; K61-E73 WeakPolarHBondContact CE-OE2 3.33Å; K61-E73 IonicContact NZ-OE1 2.64Å; K61-E73 IonicContact NZ-OE2 2.72Å; K61-E73 PolarHBondContact NZ-OE2 3.35Å; K61-F118 CarbonylContact O-C 3.6Å; K61-F118 WeakPolarHBondContact O-CA 3.24Å; K61-M119 PolarHBondContact N-O 2.76Å; K61-M119 PolarHBondContact O-N 3.12Å; K61-D187 IonicContact NZ-OD1 2.77Å
62V96.1Very high93.6Very high1 Ų140.7 Ų40.71%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-124.7132.4179.7-177.50000109.8P10 L13 G39 L40 Y42 I60 Y116 R117 F118P10-V62 WeakPolarHBondContact CG-O 3.12Å; L13-V62 HydrophobicContact CD1-CG1 4.25Å; L13-V62 HydrophobicContact CD1-CG2 4.38Å; G39-V62 CarbonylContact C-O 3.07Å; G39-V62 WeakPolarHBondContact CA-O 3.36Å; L40-V62 PolarHBondContact N-O 2.93Å; L40-V62 PolarHBondContact O-N 3.01Å; Y42-V62 HydrophobicContact CD2-CG2 3.87Å; Y42-V62 HydrophobicContact CE2-CB 4.13Å; Y42-V62 HydrophobicContact CE2-CG2 3.81Å; I60-V62 HydrophobicContact CG2-CG2 3.62Å; V62-Y116 HydrophobicContact CG1-CD1 3.57Å; V62-Y116 HydrophobicContact CG1-CE1 4.46Å; V62-Y116 HydrophobicContact CG1-CG 4.13Å; V62-R117 WeakPolarHBondContact CA-O 3.28Å; V62-F118 HydrophobicContact CG2-CB 4.06Å
63E95.4Very high93.5Very high3 Ų339.7 Ų39.71%0.01422%0.219CC..EExtended strand (participates in β ladder)trans-131.7163.1169-62.9-168-177.300110F38 K61 N67 L70 Y116 R117F38-E63 HydrophobicContact CB-CG 4.48Å; F38-E63 WeakPolarHBondContact CB-OE1 3.37Å; F38-E63 WeakPolarHBondContact O-CG 3.4Å; K61-E63 WeakPolarHBondContact CE-OE1 3.37Å; K61-E63 IonicContact NZ-OE1 3.55Å; E63-N67 HydrophobicContact CB-CB 4Å; E63-N67 VanDerWaalsContact OE2-CB 3.29Å; E63-N67 WeakPolarHBondContact OE2-CB 3.41Å; E63-L70 HydrophobicContact CB-CB 4.05Å; E63-L70 HydrophobicContact CB-CD2 3.86Å; E63-L70 HydrophobicContact CG-CB 3.75Å; E63-L70 HydrophobicContact CG-CD2 3.85Å; E63-L70 HydrophobicContact CG-CG 4.39Å; E63-L70 VanDerWaalsContact OE2-CB 3.22Å; E63-L70 WeakPolarHBondContact OE2-CB 3.27Å; E63-L70 PolarHBondContact OE2-N 2.98Å; E63-L70 VanDerWaalsContact OE2-N 3.13Å; E63-Y116 CarbonylContact O-C 3.58Å; E63-Y116 WeakPolarHBondContact O-CA 3.38Å; E63-R117 PolarHBondContact N-O 3.41Å; E63-R117 PolarHBondContact O-N 3.33Å
64Y94.8Very high93.4Very high34 Ų3437.3 Ų37.313%0.13320%0.203CC..EExtended strand (participates in β ladder)trans-59.6145.1166.2-73.1-54000110.3L9 P10 R11 E66 N67 L114 Y116L9-Y64 WeakPolarHBondContact O-CE2 3.34Å; P10-Y64 VanDerWaalsContact CA-CE2 3.49Å; P10-Y64 VanDerWaalsContact CA-CZ 3.47Å; P10-Y64 HydrophobicContact CB-CD1 4.28Å; P10-Y64 HydrophobicContact CB-CD2 4.37Å; P10-Y64 HydrophobicContact CB-CE1 4.2Å; P10-Y64 HydrophobicContact CB-CE2 4.32Å; P10-Y64 HydrophobicContact CB-CG 4.36Å; R11-Y64 PolarHBondContact N-OH 3.28Å; Y64-E66 PolarHBondContact O-N 3.36Å; Y64-E66 VanDerWaalsContact O-N 3.11Å; Y64-N67 VanDerWaalsContact O-CB 3.31Å; Y64-N67 WeakPolarHBondContact O-CB 3.45Å; Y64-N67 PolarHBondContact O-N 3.04Å; Y64-L114 HydrophobicContact CE1-CB 4.32Å; Y64-L114 HydrophobicContact CE1-CD1 4.18Å; Y64-L114 HydrophobicContact CE1-CD2 4.28Å; Y64-Y116 HydrophobicContact CD1-CD1 4.31Å; Y64-Y116 HydrophobicContact CD1-CE1 4.15Å; Y64-Y116 AromaticContact CE1-CE1 3.97Å; Y64-Y116 HydrophobicContact CE1-CE1 3.97Å
65H92Very high93.4Very high60 Ų6036.1 Ų36.128%0.27819%0.185SC..THydrogen-bonded Turntrans-56-33.6-176.5173.2-102.8000113.5N67 L108 R115 R117H65-N67 VanDerWaalsContact C-N 3.3Å; H65-L108 VanDerWaalsContact CD2-CD2 3.48Å; H65-L108 WeakPolarHBondContact CD2-CD2 3.39Å; H65-R115 HydrophobicContact CB-CB 3.82Å; H65-R115 WeakPolarHBondContact CB-O 3.27Å; H65-R115 PolarHBondContact N-O 2.9Å; H65-R117 PolarHBondContact CD2-NH2 3.48Å; H65-R117 PolarHBondContact NE2-NH2 3.27Å; H65-R117 PolarHBondContact O-NH2 2.98Å
66E87.8Confident93.5Very high153 Ų15332.4 Ų32.472%0.71517%0.166SC*.THydrogen-bonded Turntrans-76.1-11.1178.461.6-177-161.900114.3R7 Y64 G68R7-E66 PolarHBondContact NH1-O 2.57Å; Y64-E66 PolarHBondContact O-N 3.36Å; Y64-E66 VanDerWaalsContact O-N 3.11Å; E66-G68 PolarHBondContact O-N 3.26Å
67N86.6Confident93.5Very high2 Ų231.9 Ų31.91%0.01116%0.162CC..  trans-69.4125.7176.3-72.7-8000110.8R7 F38 E63 Y64 H65R7-N67 WeakPolarHBondContact CD-OD1 3.49Å; F38-N67 PolarHBondContact O-ND2 3.24Å; E63-N67 HydrophobicContact CB-CB 4Å; E63-N67 VanDerWaalsContact OE2-CB 3.29Å; E63-N67 WeakPolarHBondContact OE2-CB 3.41Å; Y64-N67 VanDerWaalsContact O-CB 3.31Å; Y64-N67 WeakPolarHBondContact O-CB 3.45Å; Y64-N67 PolarHBondContact O-N 3.04Å; H65-N67 VanDerWaalsContact C-N 3.3Å
68G84.1Confident93.4Very high29 Ų2931.7 Ų31.730%0.29916%0.159SC..Hα-helixtrans-71.4-41.6179.400000114.5E66 L70 F71 S72E66-G68 PolarHBondContact O-N 3.26Å; G68-L70 PolarHBondContact O-N 3.03Å; G68-F71 WeakPolarHBondContact O-CA 3.26Å; G68-F71 WeakPolarHBondContact O-CB 3.29Å; G68-F71 PolarHBondContact O-N 2.97Å; G68-F71 VanDerWaalsContact O-N 3.08Å; G68-S72 PolarHBondContact O-N 3.35Å; G68-S72 PolarHBondContact O-OG 3.16Å
69P88.3Confident93.2Very high24 Ų2435.8 Ų35.816%0.15617%0.174CC..Hα-helixtrans-56.4-53.5-174.6-30.438.1000114.4F38 F71 S72 E73F38-P69 HydrophobicContact CD1-CG 4.48Å; F38-P69 HydrophobicContact CD2-CB 4.13Å; F38-P69 HydrophobicContact CD2-CG 3.77Å; F38-P69 HydrophobicContact CE2-CG 3.97Å; F38-P69 HydrophobicContact CG-CG 4.04Å; F38-P69 HydrophobicContact CZ-CG 4.41Å; P69-F71 PolarHBondContact O-N 3.41Å; P69-S72 PolarHBondContact O-N 3.49Å; P69-S72 VanDerWaalsContact O-N 3.13Å; P69-E73 WeakPolarHBondContact O-CB 3.43Å; P69-E73 PolarHBondContact O-N 3.46Å
70L90.3Very high93.1Very high1 Ų135.4 Ų35.41%0.00517%0.171CC..Hα-helixtrans-64.3-27177.5-175.862000112.9K61 E63 G68 L74 R117 M119K61-L70 HydrophobicContact CD-CD1 3.91Å; K61-L70 HydrophobicContact CG-CD1 4.07Å; E63-L70 HydrophobicContact CB-CB 4.05Å; E63-L70 HydrophobicContact CB-CD2 3.86Å; E63-L70 HydrophobicContact CG-CB 3.75Å; E63-L70 HydrophobicContact CG-CD2 3.85Å; E63-L70 HydrophobicContact CG-CG 4.39Å; E63-L70 VanDerWaalsContact OE2-CB 3.22Å; E63-L70 WeakPolarHBondContact OE2-CB 3.27Å; E63-L70 PolarHBondContact OE2-N 2.98Å; E63-L70 VanDerWaalsContact OE2-N 3.13Å; G68-L70 PolarHBondContact O-N 3.03Å; L70-L74 HydrophobicContact CD1-CD1 4.39Å; L70-L74 HydrophobicContact CD1-CG 4.35Å; L70-L74 HydrophobicContact CG-CD1 4.02Å; L70-L74 HydrophobicContact CG-CG 4.45Å; L70-L74 VanDerWaalsContact O-CB 3.26Å; L70-L74 WeakPolarHBondContact O-CB 3.34Å; L70-L74 WeakPolarHBondContact O-CD1 3.13Å; L70-L74 VanDerWaalsContact O-CG 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.4Å; L70-L74 PolarHBondContact O-N 2.88Å; L70-R117 HydrophobicContact CD2-CB 4.08Å; L70-R117 HydrophobicContact CD2-CG 3.94Å; L70-R117 VanDerWaalsContact CD2-O 3.3Å; L70-R117 WeakPolarHBondContact CD2-O 3.48Å; L70-R117 HydrophobicContact CG-CG 4.25Å; L70-M119 HydrophobicContact CD1-CB 4.03Å; L70-M119 HydrophobicContact CD1-CE 4.05Å; L70-M119 HydrophobicContact CD1-SD 4.46Å
71F92.3Very high93Very high93 Ų9335.5 Ų35.541%0.40817%0.172SC..Hα-helixtrans-66.6-46.6172.6174.9-93.4000111.8G68 P69 L74 K75G68-F71 WeakPolarHBondContact O-CA 3.26Å; G68-F71 WeakPolarHBondContact O-CB 3.29Å; G68-F71 PolarHBondContact O-N 2.97Å; G68-F71 VanDerWaalsContact O-N 3.08Å; P69-F71 PolarHBondContact O-N 3.41Å; F71-L74 PolarHBondContact O-N 2.88Å; F71-K75 HydrophobicContact CD1-CG 4.49Å; F71-K75 HydrophobicContact CE1-CG 4.1Å; F71-K75 HydrophobicContact CE2-CG 4.48Å; F71-K75 HydrophobicContact CZ-CD 4.45Å; F71-K75 HydrophobicContact CZ-CG 4.11Å; F71-K75 WeakPolarHBondContact O-CG 3.3Å; F71-K75 PolarHBondContact O-N 3.34Å; F71-K75 VanDerWaalsContact O-N 3.07Å
72S91.8Very high92.8Very high45 Ų4539.2 Ų39.232%0.31519%0.188SC..Hα-helixtrans-60.3-48175.7-62.90000111.4G68 P69 L74 K75 F76G68-S72 PolarHBondContact O-N 3.35Å; G68-S72 PolarHBondContact O-OG 3.16Å; P69-S72 PolarHBondContact O-N 3.49Å; P69-S72 VanDerWaalsContact O-N 3.13Å; S72-L74 PolarHBondContact O-N 3.41Å; S72-K75 PolarHBondContact O-N 3.14Å; S72-K75 VanDerWaalsContact O-N 3.13Å; S72-F76 PolarHBondContact O-N 3.22Å; S72-F76 VanDerWaalsContact O-N 3.09Å
73E95.1Very high92.7Very high3 Ų341.1 Ų41.11%0.01420%0.201CC..Hα-helixtrans-58.7-45.8177.8178.3167.8-141.300111.8K61 P69 K75 F76 Y77 M119 Y188K61-E73 WeakPolarHBondContact CE-OE2 3.33Å; K61-E73 IonicContact NZ-OE1 2.64Å; K61-E73 IonicContact NZ-OE2 2.72Å; K61-E73 PolarHBondContact NZ-OE2 3.35Å; P69-E73 WeakPolarHBondContact O-CB 3.43Å; P69-E73 PolarHBondContact O-N 3.46Å; E73-K75 VanDerWaalsContact C-N 3.31Å; E73-K75 PolarHBondContact O-N 3.28Å; E73-F76 WeakPolarHBondContact O-CB 3.4Å; E73-F76 PolarHBondContact O-N 3.12Å; E73-Y77 HydrophobicContact CG-CD2 3.82Å; E73-Y77 HydrophobicContact CG-CE2 3.57Å; E73-Y77 VanDerWaalsContact O-CD2 3.27Å; E73-Y77 WeakPolarHBondContact O-CD2 3.36Å; E73-Y77 PolarHBondContact O-N 2.88Å; E73-M119 HydrophobicContact CG-CE 3.86Å; E73-M119 HydrophobicContact CG-SD 4.4Å; E73-Y188 PolarHBondContact OE1-N 3.27Å
74L94.9Very high92.6Very high8 Ų847 Ų474%0.04223%0.228CC..Hα-helixtrans-61.7-37.8176-84.9165.9000113L70 F71 S72 F76 Y77 Q78 Y103 R117 M119L70-L74 HydrophobicContact CD1-CD1 4.39Å; L70-L74 HydrophobicContact CD1-CG 4.35Å; L70-L74 HydrophobicContact CG-CD1 4.02Å; L70-L74 HydrophobicContact CG-CG 4.45Å; L70-L74 VanDerWaalsContact O-CB 3.26Å; L70-L74 WeakPolarHBondContact O-CB 3.34Å; L70-L74 WeakPolarHBondContact O-CD1 3.13Å; L70-L74 VanDerWaalsContact O-CG 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.4Å; L70-L74 PolarHBondContact O-N 2.88Å; F71-L74 PolarHBondContact O-N 2.88Å; S72-L74 PolarHBondContact O-N 3.41Å; L74-F76 VanDerWaalsContact C-N 3.32Å; L74-F76 PolarHBondContact O-N 3.49Å; L74-Y77 PolarHBondContact O-N 3.49Å; L74-Q78 WeakPolarHBondContact O-CB 3.37Å; L74-Q78 VanDerWaalsContact O-CG 3.23Å; L74-Q78 WeakPolarHBondContact O-CG 3.22Å; L74-Q78 PolarHBondContact O-N 3Å; L74-Y103 HydrophobicContact CD2-CD2 4.42Å; L74-Y103 HydrophobicContact CD2-CE2 3.73Å; L74-R117 HydrophobicContact CD1-CG 3.59Å; L74-M119 HydrophobicContact CD2-CB 3.83Å; L74-M119 HydrophobicContact CD2-CG 3.61Å; L74-M119 HydrophobicContact CD2-SD 3.48Å; L74-M119 WeakPolarHBondContact CD2-SD 3.47Å; L74-M119 HydrophobicContact CG-CB 4.29Å; L74-M119 HydrophobicContact CG-CG 4.39Å; L74-M119 HydrophobicContact CG-SD 3.9Å
75K95Very high92.6Very high70 Ų7048.2 Ų48.230%0.30424%0.237SC..Hα-helixtrans-65.7-36.3176.9-71.7-63-179.4-167.50112F71 S72 E73 R79F71-K75 HydrophobicContact CD1-CG 4.49Å; F71-K75 HydrophobicContact CE1-CG 4.1Å; F71-K75 HydrophobicContact CE2-CG 4.48Å; F71-K75 HydrophobicContact CZ-CD 4.45Å; F71-K75 HydrophobicContact CZ-CG 4.11Å; F71-K75 WeakPolarHBondContact O-CG 3.3Å; F71-K75 PolarHBondContact O-N 3.34Å; F71-K75 VanDerWaalsContact O-N 3.07Å; S72-K75 PolarHBondContact O-N 3.14Å; S72-K75 VanDerWaalsContact O-N 3.13Å; E73-K75 VanDerWaalsContact C-N 3.31Å; E73-K75 PolarHBondContact O-N 3.28Å; K75-R79 WeakPolarHBondContact O-CB 3.4Å; K75-R79 WeakPolarHBondContact O-CD 3.46Å; K75-R79 VanDerWaalsContact O-CG 3.31Å; K75-R79 WeakPolarHBondContact O-CG 3.45Å; K75-R79 PolarHBondContact O-N 3.01Å
76F96.8Very high92.9Very high0 Ų046.1 Ų46.10%023%0.228CC..Hα-helixtrans-60.4-55.6170.6164.4-98.9000110.7S72 E73 L74 Q78 R79 A80 A81 I100 I158 Y163 Y188S72-F76 PolarHBondContact O-N 3.22Å; S72-F76 VanDerWaalsContact O-N 3.09Å; E73-F76 WeakPolarHBondContact O-CB 3.4Å; E73-F76 PolarHBondContact O-N 3.12Å; L74-F76 VanDerWaalsContact C-N 3.32Å; L74-F76 PolarHBondContact O-N 3.49Å; F76-Q78 PolarHBondContact O-N 3.49Å; F76-R79 PolarHBondContact O-N 3.42Å; F76-R79 VanDerWaalsContact O-N 3.15Å; F76-A80 HydrophobicContact CD2-CB 3.83Å; F76-A80 HydrophobicContact CE2-CB 3.7Å; F76-A80 HydrophobicContact CZ-CB 4.47Å; F76-A80 WeakPolarHBondContact O-CB 3.18Å; F76-A80 PolarHBondContact O-N 3.01Å; F76-A81 HydrophobicContact CD1-CB 4.45Å; F76-A81 HydrophobicContact CE1-CB 3.71Å; F76-A81 HydrophobicContact CZ-CB 3.87Å; F76-A81 PolarHBondContact O-N 3.42Å; F76-I100 HydrophobicContact CE1-CG2 4.46Å; F76-I100 HydrophobicContact CZ-CG2 4.49Å; F76-I158 HydrophobicContact CE2-CB 4.18Å; F76-I158 HydrophobicContact CE2-CG2 3.64Å; F76-I158 HydrophobicContact CZ-CG2 3.72Å; F76-Y163 HydrophobicContact CB-CD1 4.31Å; F76-Y163 HydrophobicContact CB-CE1 4.15Å; F76-Y163 HydrophobicContact CD2-CD1 4.01Å; F76-Y163 HydrophobicContact CD2-CD2 4.15Å; F76-Y163 AromaticContact CD2-CG 3.8Å; F76-Y163 HydrophobicContact CD2-CG 3.8Å; F76-Y188 AromaticContact CD1-CD1 3.59Å; F76-Y188 HydrophobicContact CD1-CD1 3.59Å; F76-Y188 AromaticContact CD1-CD2 3.69Å; F76-Y188 HydrophobicContact CD1-CD2 3.69Å; F76-Y188 HydrophobicContact CD1-CE1 4.06Å; F76-Y188 HydrophobicContact CD1-CE2 4.14Å; F76-Y188 AromaticContact CD1-CG 3.38Å; F76-Y188 HydrophobicContact CD1-CG 3.38Å; F76-Y188 HydrophobicContact CD2-CD1 4.05Å; F76-Y188 HydrophobicContact CD2-CE1 4.43Å; F76-Y188 AromaticContact CE1-CD1 3.48Å; F76-Y188 HydrophobicContact CE1-CD1 3.48Å; F76-Y188 VanDerWaalsContact CE1-CD1 3.48Å; F76-Y188 AromaticContact CE1-CD2 3.55Å; F76-Y188 HydrophobicContact CE1-CD2 3.55Å; F76-Y188 AromaticContact CE1-CE1 3.44Å; F76-Y188 HydrophobicContact CE1-CE1 3.44Å; F76-Y188 VanDerWaalsContact CE1-CE1 3.44Å; F76-Y188 AromaticContact CE1-CE2 3.51Å; F76-Y188 HydrophobicContact CE1-CE2 3.51Å; F76-Y188 AromaticContact CE1-CG 3.54Å; F76-Y188 HydrophobicContact CE1-CG 3.54Å; F76-Y188 AromaticContact CE1-CZ 3.45Å; F76-Y188 VanDerWaalsContact CE1-CZ 3.45Å; F76-Y188 AromaticContact CE2-CD1 3.95Å; F76-Y188 HydrophobicContact CE2-CD1 3.95Å; F76-Y188 AromaticContact CE2-CE1 3.86Å; F76-Y188 HydrophobicContact CE2-CE1 3.86Å; F76-Y188 AromaticContact CG-CD1 3.87Å; F76-Y188 HydrophobicContact CG-CD1 3.87Å; F76-Y188 AromaticContact CG-CG 3.96Å; F76-Y188 HydrophobicContact CG-CG 3.96Å; F76-Y188 AromaticContact CZ-CD1 3.67Å; F76-Y188 HydrophobicContact CZ-CD1 3.67Å; F76-Y188 HydrophobicContact CZ-CD2 4.44Å; F76-Y188 AromaticContact CZ-CE1 3.32Å; F76-Y188 HydrophobicContact CZ-CE1 3.32Å; F76-Y188 HydrophobicContact CZ-CE2 4.15Å; F76-Y188 HydrophobicContact CZ-CG 4.22Å; F76-Y188 AromaticContact CZ-CZ 3.59Å
77Y96.8Very high93.3Very high0 Ų043.2 Ų43.20%022%0.215CC..Hα-helixtrans-59.9-43.4-177.3-77.8-70.1000113.3E73 L74 R79 A81 K82 I100 P101 Y103 M119 Y188E73-Y77 HydrophobicContact CG-CD2 3.82Å; E73-Y77 HydrophobicContact CG-CE2 3.57Å; E73-Y77 VanDerWaalsContact O-CD2 3.27Å; E73-Y77 WeakPolarHBondContact O-CD2 3.36Å; E73-Y77 PolarHBondContact O-N 2.88Å; L74-Y77 PolarHBondContact O-N 3.49Å; Y77-R79 VanDerWaalsContact C-N 3.27Å; Y77-R79 PolarHBondContact O-N 2.97Å; Y77-A81 HydrophobicContact CD1-CB 3.68Å; Y77-A81 HydrophobicContact CE1-CB 4.22Å; Y77-A81 CarbonylContact O-C 3.56Å; Y77-A81 VanDerWaalsContact O-C 3.28Å; Y77-A81 PolarHBondContact O-N 2.99Å; Y77-K82 PolarHBondContact O-N 2.84Å; Y77-I100 HydrophobicContact CE1-CG2 4.4Å; Y77-P101 HydrophobicContact CE1-CB 4.49Å; Y77-P101 VanDerWaalsContact CE1-O 3.25Å; Y77-P101 WeakPolarHBondContact CE1-O 3.35Å; Y77-Y103 HydrophobicContact CG-CD2 4.46Å; Y77-Y103 HydrophobicContact CG-CG 4.41Å; Y77-M119 HydrophobicContact CD2-CE 4.03Å; Y77-M119 HydrophobicContact CD2-SD 3.56Å; Y77-M119 VanDerWaalsContact CD2-SD 3.56Å; Y77-M119 HydrophobicContact CE2-CE 3.81Å; Y77-M119 HydrophobicContact CE2-SD 3.98Å; Y77-M119 HydrophobicContact CG-SD 4.34Å; Y77-Y188 HydrophobicContact CE2-CD2 4.01Å; Y77-Y188 AromaticContact CZ-CD2 3.82Å
78Q94.4Very high93.8Very high68 Ų6850.7 Ų50.732%0.31825%0.247SC..Hα-helixtrans-66.5-25.7-179.9-72.9177.1-1700113.9L74 F76 K82 Y103 S106L74-Q78 WeakPolarHBondContact O-CB 3.37Å; L74-Q78 VanDerWaalsContact O-CG 3.23Å; L74-Q78 WeakPolarHBondContact O-CG 3.22Å; L74-Q78 PolarHBondContact O-N 3Å; F76-Q78 PolarHBondContact O-N 3.49Å; Q78-K82 WeakPolarHBondContact O-CE 3.28Å; Q78-Y103 HydrophobicContact CG-CE1 4.5Å; Q78-S106 PolarHBondContact NE2-OG 3.03Å
79R94.3Very high94.5Very high127 Ų12751.2 Ų51.248%0.47924%0.24SC..Hα-helixtrans-101.9-50.3-176.1-70.7173.9172.1169.4-3.7112.4K75 F76 Y77 Y163K75-R79 WeakPolarHBondContact O-CB 3.4Å; K75-R79 WeakPolarHBondContact O-CD 3.46Å; K75-R79 VanDerWaalsContact O-CG 3.31Å; K75-R79 WeakPolarHBondContact O-CG 3.45Å; K75-R79 PolarHBondContact O-N 3.01Å; F76-R79 PolarHBondContact O-N 3.42Å; F76-R79 VanDerWaalsContact O-N 3.15Å; Y77-R79 VanDerWaalsContact C-N 3.27Å; Y77-R79 PolarHBondContact O-N 2.97Å; R79-Y163 HydrophobicContact CB-CE2 4.35Å; R79-Y163 WeakPolarHBondContact CD-OH 3.36Å; R79-Y163 PolarHBondContact NH1-OH 2.81Å
80A94.7Very high94.9Very high1 Ų151.9 Ų51.91%0.00824%0.241CC..THydrogen-bonded Turntrans-101.3-35.2-170.200000112.7F76 Y157 N161 Y163F76-A80 HydrophobicContact CD2-CB 3.83Å; F76-A80 HydrophobicContact CE2-CB 3.7Å; F76-A80 HydrophobicContact CZ-CB 4.47Å; F76-A80 WeakPolarHBondContact O-CB 3.18Å; F76-A80 PolarHBondContact O-N 3.01Å; A80-Y157 WeakPolarHBondContact O-CE1 3.35Å; A80-Y157 VanDerWaalsContact O-CZ 3.31Å; A80-Y157 PolarHBondContact O-OH 2.93Å; A80-N161 HydrophobicContact CB-CB 3.73Å; A80-Y163 HydrophobicContact CB-CD2 4.02Å; A80-Y163 HydrophobicContact CB-CE2 4.38Å
81A94.9Very high95.2Very high2 Ų261.5 Ų61.52%0.01728%0.277CS..  trans-115.539.6-169.400000114.4F76 Y77 V86 I100F76-A81 HydrophobicContact CD1-CB 4.45Å; F76-A81 HydrophobicContact CE1-CB 3.71Å; F76-A81 HydrophobicContact CZ-CB 3.87Å; F76-A81 PolarHBondContact O-N 3.42Å; Y77-A81 HydrophobicContact CD1-CB 3.68Å; Y77-A81 HydrophobicContact CE1-CB 4.22Å; Y77-A81 CarbonylContact O-C 3.56Å; Y77-A81 VanDerWaalsContact O-C 3.28Å; Y77-A81 PolarHBondContact O-N 2.99Å; A81-V86 HydrophobicContact CB-CG2 4.42Å; A81-I100 HydrophobicContact CB-CG2 3.66Å
82K93.5Very high95.5Very high99 Ų9960.8 Ų60.843%0.4329%0.288SS..  trans-63.8142.1165.4-64.6-170.5-177.5-174.80110.2Y77 Q78 E84 N85 V86Y77-K82 PolarHBondContact O-N 2.84Å; Q78-K82 WeakPolarHBondContact O-CE 3.28Å; K82-E84 PolarHBondContact O-N 3.23Å; K82-E84 VanDerWaalsContact O-N 3.14Å; K82-N85 HydrophobicContact CB-CB 4.49Å; K82-N85 PolarHBondContact O-N 2.85Å; K82-V86 PolarHBondContact O-N 3.39Å; K82-V86 VanDerWaalsContact O-N 3.13Å
83P92.8Very high95.7Very high41 Ų4162.7 Ų62.727%0.26629%0.291SS..Hα-helixtrans-52.3-40.1-178.4-26.734000113.2N85 V86 Q87 T102P83-N85 PolarHBondContact O-N 3.23Å; P83-V86 PolarHBondContact O-N 3.22Å; P83-Q87 WeakPolarHBondContact O-CB 3.32Å; P83-Q87 WeakPolarHBondContact O-CG 3.34Å; P83-Q87 PolarHBondContact O-N 3.46Å; P83-T102 HydrophobicContact CB-CG2 4.35Å; P83-T102 HydrophobicContact CG-CG2 3.82Å
84E94.1Very high95.8Very high126 Ų12671.8 Ų71.859%0.58933%0.33SS*.Hα-helixtrans-66.4-38.5-178.5-53.574.1-153.300112K82 K88K82-E84 PolarHBondContact O-N 3.23Å; K82-E84 VanDerWaalsContact O-N 3.14Å; E84-K88 VanDerWaalsContact O-CB 3.31Å; E84-K88 WeakPolarHBondContact O-CB 3.43Å; E84-K88 PolarHBondContact O-N 3.46Å
85N95.2Very high95.8Very high60 Ų6072.9 Ų72.932%0.32134%0.336SS..Hα-helixtrans-67.8-45.6179-69.2-6.8000110.9K82 P83 Q87 K88 W89K82-N85 HydrophobicContact CB-CB 4.49Å; K82-N85 PolarHBondContact O-N 2.85Å; P83-N85 PolarHBondContact O-N 3.23Å; N85-Q87 PolarHBondContact O-N 3.34Å; N85-K88 PolarHBondContact O-N 2.89Å; N85-W89 PolarHBondContact O-N 2.89Å
86V96.8Very high95.7Very high16 Ų1675 Ų7510%0.09736%0.359CS..Hα-helixtrans-61.6-45.6177.1173.60000110.4A81 K82 P83 K88 W89 K90 L98 Y157A81-V86 HydrophobicContact CB-CG2 4.42Å; K82-V86 PolarHBondContact O-N 3.39Å; K82-V86 VanDerWaalsContact O-N 3.13Å; P83-V86 PolarHBondContact O-N 3.22Å; V86-K88 PolarHBondContact O-N 3.32Å; V86-W89 PolarHBondContact O-N 2.76Å; V86-K90 HydrophobicContact CG1-CD 4.31Å; V86-K90 WeakPolarHBondContact O-CG 3.47Å; V86-K90 PolarHBondContact O-N 3.1Å; V86-L98 HydrophobicContact CG1-CD2 4.08Å; V86-Y157 HydrophobicContact CG2-CE1 4.24Å; V86-Y157 HydrophobicContact CG2-CE2 4.45Å; V86-Y157 VanDerWaalsContact CG2-OH 3.32Å; V86-Y157 WeakPolarHBondContact CG2-OH 2.99Å; V86-Y157 PolarHBondContact N-OH 3.2Å
87Q96.4Very high95.6Very high92 Ų9276.6 Ų76.643%0.4337%0.366SS..Hα-helixtrans-64.8-40.2177.9-68.2-61.1-25.300112.5P83 N85 W89 K90 R91P83-Q87 WeakPolarHBondContact O-CB 3.32Å; P83-Q87 WeakPolarHBondContact O-CG 3.34Å; P83-Q87 PolarHBondContact O-N 3.46Å; N85-Q87 PolarHBondContact O-N 3.34Å; Q87-W89 VanDerWaalsContact C-N 3.33Å; Q87-W89 PolarHBondContact O-N 3.45Å; Q87-K90 PolarHBondContact O-N 3.01Å; Q87-R91 WeakPolarHBondContact O-CG 3.47Å; Q87-R91 PolarHBondContact O-N 3.31Å
88K97.5Very high95.6Very high160 Ų16077 Ų7770%0.69637%0.369SS*.Hα-helixtrans-59.4-44.9174.6-177.4-177.5177.6-175.20111.1E84 N85 V86 R91 A92E84-K88 VanDerWaalsContact O-CB 3.31Å; E84-K88 WeakPolarHBondContact O-CB 3.43Å; E84-K88 PolarHBondContact O-N 3.46Å; N85-K88 PolarHBondContact O-N 2.89Å; V86-K88 PolarHBondContact O-N 3.32Å; K88-R91 PolarHBondContact O-N 3.35Å; K88-A92 WeakPolarHBondContact O-CB 3.4Å; K88-A92 PolarHBondContact O-N 3.42Å
89W97.9Very high95.7Very high40 Ų4073.9 Ų73.915%0.15236%0.355CS..Hα-helixtrans-63.2-48.2177.3179.4-94.3000112.6N85 V86 Q87 R91 A92 K93 E156 Y157 E160N85-W89 PolarHBondContact O-N 2.89Å; V86-W89 PolarHBondContact O-N 2.76Å; Q87-W89 VanDerWaalsContact C-N 3.33Å; Q87-W89 PolarHBondContact O-N 3.45Å; W89-R91 VanDerWaalsContact C-N 3.27Å; W89-R91 PolarHBondContact O-N 3.22Å; W89-A92 PolarHBondContact O-N 2.77Å; W89-A92 VanDerWaalsContact O-N 3.09Å; W89-K93 HydrophobicContact CD2-CG 4.04Å; W89-K93 HydrophobicContact CG-CG 4.42Å; W89-K93 VanDerWaalsContact CH2-CE 3.49Å; W89-K93 HydrophobicContact CH2-CG 4.49Å; W89-K93 HydrophobicContact CZ2-CD 4.22Å; W89-K93 VanDerWaalsContact CZ2-CE 3.47Å; W89-K93 HydrophobicContact CZ2-CG 3.89Å; W89-K93 WeakPolarHBondContact O-CB 3.4Å; W89-K93 PolarHBondContact O-N 3.48Å; W89-E156 HydrophobicContact CH2-CG 3.99Å; W89-E156 HydrophobicContact CZ2-CB 4.37Å; W89-E156 HydrophobicContact CZ2-CG 3.76Å; W89-Y157 HydrophobicContact CB-CD2 3.68Å; W89-Y157 HydrophobicContact CB-CE2 3.56Å; W89-Y157 AromaticContact CD1-CD2 3.57Å; W89-Y157 AromaticContact CD2-CD2 3.56Å; W89-Y157 HydrophobicContact CD2-CD2 3.56Å; W89-Y157 HydrophobicContact CD2-CE2 4.24Å; W89-Y157 AromaticContact CE2-CD2 3.9Å; W89-Y157 HydrophobicContact CE3-CD2 4.16Å; W89-Y157 AromaticContact CG-CD2 3.33Å; W89-Y157 HydrophobicContact CG-CD2 3.33Å; W89-Y157 AromaticContact CG-CE2 3.79Å; W89-Y157 HydrophobicContact CG-CE2 3.79Å; W89-Y157 HydrophobicContact CG-CG 4.49Å; W89-Y157 AromaticContact NE1-CD2 3.87Å; W89-E160 HydrophobicContact CH2-CB 4.08Å; W89-E160 HydrophobicContact CH2-CG 3.81Å; W89-E160 HydrophobicContact CZ3-CB 4.09Å; W89-E160 HydrophobicContact CZ3-CG 4.23Å
90K97.8Very high95.9Very high38 Ų3868.1 Ų68.117%0.16533%0.333CS..Hα-helixtrans-53.6-45.4176.6-74.8-179.668.4-178.40111.7V86 Q87 K94 L95 S96 L98V86-K90 HydrophobicContact CG1-CD 4.31Å; V86-K90 WeakPolarHBondContact O-CG 3.47Å; V86-K90 PolarHBondContact O-N 3.1Å; Q87-K90 PolarHBondContact O-N 3.01Å; K90-K94 CarbonylContact O-C 3.59Å; K90-K94 WeakPolarHBondContact O-CA 3.33Å; K90-K94 PolarHBondContact O-N 2.63Å; K90-L95 WeakPolarHBondContact CE-O 3.26Å; K90-L95 HydrophobicContact CG-CB 4.46Å; K90-L95 PolarHBondContact O-N 3.03Å; K90-S96 WeakPolarHBondContact CE-O 3.37Å; K90-S96 PolarHBondContact NZ-O 3.11Å; K90-L98 HydrophobicContact CD-CB 4.15Å; K90-L98 HydrophobicContact CG-CB 3.9Å
91R97.4Very high95.9Very high202 Ų20268.1 Ų68.176%0.76233%0.333SS*.Hα-helixtrans-63.4-46.6176.1-69.3177.4-171.4-171.12.8112.1Q87 K88 W89 K93 K94Q87-R91 WeakPolarHBondContact O-CG 3.47Å; Q87-R91 PolarHBondContact O-N 3.31Å; K88-R91 PolarHBondContact O-N 3.35Å; W89-R91 VanDerWaalsContact C-N 3.27Å; W89-R91 PolarHBondContact O-N 3.22Å; R91-K93 PolarHBondContact O-N 2.95Å; R91-K94 PolarHBondContact O-N 3.16Å
92A97.7Very high96Very high78 Ų7869.9 Ų69.965%0.64534%0.344SS*.Hα-helixtrans-63.3-40.6-178.800000112.7K88 W89K88-A92 WeakPolarHBondContact O-CB 3.4Å; K88-A92 PolarHBondContact O-N 3.42Å; W89-A92 PolarHBondContact O-N 2.77Å; W89-A92 VanDerWaalsContact O-N 3.09Å
93K96.7Very high96Very high86 Ų8666.5 Ų66.537%0.37433%0.329SS..Hα-helixtrans-89.80.6179.9-67.7-72.6-172.2147.50113.8W89 R91 L95 E156W89-K93 HydrophobicContact CD2-CG 4.04Å; W89-K93 HydrophobicContact CG-CG 4.42Å; W89-K93 VanDerWaalsContact CH2-CE 3.49Å; W89-K93 HydrophobicContact CH2-CG 4.49Å; W89-K93 HydrophobicContact CZ2-CD 4.22Å; W89-K93 VanDerWaalsContact CZ2-CE 3.47Å; W89-K93 HydrophobicContact CZ2-CG 3.89Å; W89-K93 WeakPolarHBondContact O-CB 3.4Å; W89-K93 PolarHBondContact O-N 3.48Å; R91-K93 PolarHBondContact O-N 2.95Å; K93-L95 VanDerWaalsContact C-N 3.28Å; K93-L95 HydrophobicContact CB-CD1 3.89Å; K93-L95 HydrophobicContact CB-CG 3.74Å; K93-L95 PolarHBondContact O-N 2.66Å; K93-E156 IonicContact NZ-OE1 3.03Å; K93-E156 PolarHBondContact NZ-OE1 2.79Å; K93-E156 IonicContact NZ-OE2 3.86Å; K93-E156 PolarHBondContact NZ-OE2 2.79Å
94K96.3Very high96.1Very high193 Ų19368.8 Ų68.884%0.83933%0.332SS*.THydrogen-bonded Turntrans5540.4-176.7-54.9178.2-177.9177.30113K90 R91K90-K94 CarbonylContact O-C 3.59Å; K90-K94 WeakPolarHBondContact O-CA 3.33Å; K90-K94 PolarHBondContact O-N 2.63Å; R91-K94 PolarHBondContact O-N 3.16Å
95L94.5Very high96.2Very high31 Ų3162.8 Ų62.816%0.16230%0.304CS..  trans-92.6128178.4-57.8174.7000110.3K90 K93 F97 L98 D153K90-L95 WeakPolarHBondContact CE-O 3.26Å; K90-L95 HydrophobicContact CG-CB 4.46Å; K90-L95 PolarHBondContact O-N 3.03Å; K93-L95 VanDerWaalsContact C-N 3.28Å; K93-L95 HydrophobicContact CB-CD1 3.89Å; K93-L95 HydrophobicContact CB-CG 3.74Å; K93-L95 PolarHBondContact O-N 2.66Å; L95-F97 VanDerWaalsContact C-N 3.27Å; L95-L98 HydrophobicContact CD1-CD1 4.16Å; L95-D153 HydrophobicContact CD1-CB 4.44Å
96S93Very high96.3Very high114 Ų11460.2 Ų60.280%0.79729%0.291SS*.SBendtrans-67.9-31169.855.20000111.7K90K90-S96 WeakPolarHBondContact CE-O 3.37Å; K90-S96 PolarHBondContact NZ-O 3.11Å
97F94.8Very high96.4Very high34 Ų3459.8 Ų59.815%0.14929%0.29CS..  trans-143.3148.1-174.7175.3-103.8000111.6L95 G99 Q182 V183 Y184L95-F97 VanDerWaalsContact C-N 3.27Å; F97-G99 VanDerWaalsContact CZ-CA 3.47Å; F97-Q182 HydrophobicContact CD2-CB 4.19Å; F97-Q182 HydrophobicContact CD2-CG 3.7Å; F97-Q182 HydrophobicContact CE1-CB 4.29Å; F97-Q182 HydrophobicContact CE2-CB 3.62Å; F97-Q182 HydrophobicContact CE2-CG 3.66Å; F97-Q182 HydrophobicContact CG-CG 4.17Å; F97-Q182 HydrophobicContact CZ-CB 3.66Å; F97-Q182 HydrophobicContact CZ-CG 4.07Å; F97-V183 VanDerWaalsContact CE1-O 3.28Å; F97-V183 WeakPolarHBondContact CE1-O 3.47Å; F97-V183 WeakPolarHBondContact CZ-O 3.11Å; F97-Y184 HydrophobicContact CE2-CD1 4.45Å; F97-Y184 AromaticContact CE2-CE1 3.79Å; F97-Y184 HydrophobicContact CE2-CE1 3.79Å; F97-Y184 HydrophobicContact CE2-CE2 4.01Å; F97-Y184 AromaticContact CE2-CZ 3.56Å; F97-Y184 HydrophobicContact CZ-CD1 4.21Å; F97-Y184 HydrophobicContact CZ-CD2 4.2Å; F97-Y184 AromaticContact CZ-CE1 4Å; F97-Y184 HydrophobicContact CZ-CE1 4Å; F97-Y184 AromaticContact CZ-CE2 3.96Å; F97-Y184 HydrophobicContact CZ-CE2 3.96Å; F97-Y184 HydrophobicContact CZ-CG 4.34Å; F97-Y184 AromaticContact CZ-CZ 3.88Å
98L97.4Very high96.4Very high9 Ų959.6 Ų59.65%0.04729%0.291CS..  trans-140.8123.5168.7-174.871000107.6V86 K90 L95 I100 D153 V154 Y157V86-L98 HydrophobicContact CG1-CD2 4.08Å; K90-L98 HydrophobicContact CD-CB 4.15Å; K90-L98 HydrophobicContact CG-CB 3.9Å; L95-L98 HydrophobicContact CD1-CD1 4.16Å; L98-I100 HydrophobicContact CD2-CD1 3.77Å; L98-I100 HydrophobicContact CD2-CG1 4.27Å; L98-I100 HydrophobicContact CG-CD1 4.22Å; L98-I100 HydrophobicContact CG-CG1 4.23Å; L98-I100 PolarHBondContact O-N 2.96Å; L98-D153 HydrophobicContact CD1-CB 4.09Å; L98-D153 WeakPolarHBondContact CD1-O 3.42Å; L98-V154 HydrophobicContact CD1-CG2 4.13Å; L98-Y157 HydrophobicContact CD2-CD1 4.33Å; L98-Y157 HydrophobicContact CD2-CD2 3.77Å; L98-Y157 HydrophobicContact CD2-CE2 4.3Å; L98-Y157 HydrophobicContact CD2-CG 3.74Å
99G97.1Very high96.3Very high2 Ų252.6 Ų52.62%0.02126%0.263CS..  trans-76.354.7-171.200000114.8F97 V183 Y184 L185F97-G99 VanDerWaalsContact CZ-CA 3.47Å; G99-V183 VanDerWaalsContact CA-O 3.31Å; G99-V183 WeakPolarHBondContact CA-O 3.38Å; G99-Y184 WeakPolarHBondContact O-CA 3.28Å; G99-L185 PolarHBondContact O-N 3.28Å
100I97.3Very high96.2Very high6 Ų656.5 Ų56.53%0.03128%0.283CS..  trans-118.1120.2174.6-60.8179.6000107.8F76 Y77 A81 L98 V154 Y157 I158F76-I100 HydrophobicContact CE1-CG2 4.46Å; F76-I100 HydrophobicContact CZ-CG2 4.49Å; Y77-I100 HydrophobicContact CE1-CG2 4.4Å; A81-I100 HydrophobicContact CB-CG2 3.66Å; L98-I100 HydrophobicContact CD2-CD1 3.77Å; L98-I100 HydrophobicContact CD2-CG1 4.27Å; L98-I100 HydrophobicContact CG-CD1 4.22Å; L98-I100 HydrophobicContact CG-CG1 4.23Å; L98-I100 PolarHBondContact O-N 2.96Å; I100-V154 HydrophobicContact CD1-CG1 4.39Å; I100-V154 HydrophobicContact CG1-CG1 3.96Å; I100-Y157 HydrophobicContact CD1-CD1 3.03Å; I100-Y157 HydrophobicContact CD1-CE1 3.43Å; I100-Y157 VanDerWaalsContact CD1-CE1 3.43Å; I100-Y157 HydrophobicContact CD1-CG 3.75Å; I100-I158 HydrophobicContact CD1-CG2 4.09Å
101P95.9Very high96.1Very high1 Ų157.8 Ų57.81%0.00629%0.287CS..PPolyproline II helixtrans-58.4143.9179.5-24.433.7000112Y77 M121 L124 Y184 L185 A186Y77-P101 HydrophobicContact CE1-CB 4.49Å; Y77-P101 VanDerWaalsContact CE1-O 3.25Å; Y77-P101 WeakPolarHBondContact CE1-O 3.35Å; P101-M121 HydrophobicContact CB-CE 3.73Å; P101-M121 HydrophobicContact CG-CE 4.27Å; P101-L124 HydrophobicContact CB-CD1 4.31Å; P101-L124 HydrophobicContact CG-CD1 3.87Å; P101-Y184 HydrophobicContact CG-CD1 4.38Å; P101-L185 WeakPolarHBondContact CD-O 3.42Å; P101-A186 HydrophobicContact CG-CB 4.32Å
102T95.6Very high95.9Very high40 Ų4055.1 Ų55.125%0.24528%0.281CS..PPolyproline II helixtrans-77.6130.6177.7-45.90000110.4P83 W104 M121 D122P83-T102 HydrophobicContact CB-CG2 4.35Å; P83-T102 HydrophobicContact CG-CG2 3.82Å; T102-W104 HydrophobicContact CG2-CD2 4.31Å; T102-W104 HydrophobicContact CG2-CH2 4.49Å; T102-W104 HydrophobicContact CG2-CZ2 3.84Å; T102-M121 VanDerWaalsContact O-CA 3.23Å; T102-M121 WeakPolarHBondContact O-CA 3.18Å; T102-M121 WeakPolarHBondContact O-CB 3.43Å; T102-D122 WeakPolarHBondContact CA-OD2 3.27Å; T102-D122 VanDerWaalsContact CB-CG 3.48Å; T102-D122 WeakPolarHBondContact CB-OD1 3.4Å; T102-D122 WeakPolarHBondContact CB-OD2 3.33Å; T102-D122 PolarHBondContact N-OD2 3.47Å; T102-D122 PolarHBondContact O-N 3Å; T102-D122 VanDerWaalsContact O-N 3.11Å; T102-D122 PolarHBondContact OG1-OD2 3.42Å
103Y94.1Very high95.6Very high27 Ų2758.6 Ų58.611%0.10629%0.289CS..EExtended strand (participates in β ladder)trans-90.5129169.8164.7-97.4000110.5L74 Y77 Q78 G105 S106 M119L74-Y103 HydrophobicContact CD2-CD2 4.42Å; L74-Y103 HydrophobicContact CD2-CE2 3.73Å; Y77-Y103 HydrophobicContact CG-CD2 4.46Å; Y77-Y103 HydrophobicContact CG-CG 4.41Å; Q78-Y103 HydrophobicContact CG-CE1 4.5Å; Y103-G105 VanDerWaalsContact CE2-C 3.4Å; Y103-G105 WeakPolarHBondContact CE2-O 3.32Å; Y103-S106 WeakPolarHBondContact OH-CB 3.4Å; Y103-S106 PolarHBondContact OH-N 3.21Å; Y103-S106 PolarHBondContact OH-OG 3.29Å; Y103-M119 HydrophobicContact CD2-CG 3.79Å; Y103-M119 HydrophobicContact CD2-SD 4.02Å; Y103-M119 HydrophobicContact CE2-CG 3.97Å; Y103-M119 HydrophobicContact CE2-SD 4.43Å
104W95.8Very high95.5Very high89 Ų8956.7 Ų56.734%0.33728%0.283SS..EExtended strand (participates in β ladder)trans-111.1-21-175.8-67.1101.9000114.5K25 W27 F58 T102 A120 D122K25-W104 PolarHBondContact NZ-O 3.14Å; W27-W104 HydrophobicContact CH2-CB 3.72Å; W27-W104 HydrophobicContact CH2-CG 4.29Å; W27-W104 HydrophobicContact CZ2-CB 3.79Å; F58-W104 AromaticContact CD1-CD1 3.8Å; F58-W104 HydrophobicContact CD1-CG 4.31Å; F58-W104 AromaticContact CD1-NE1 3.8Å; F58-W104 AromaticContact CE1-CD1 3.86Å; F58-W104 AromaticContact CE1-CD2 3.98Å; F58-W104 HydrophobicContact CE1-CD2 3.98Å; F58-W104 AromaticContact CE1-CE2 3.6Å; F58-W104 HydrophobicContact CE1-CG 4.16Å; F58-W104 HydrophobicContact CE1-CZ2 4.03Å; F58-W104 AromaticContact CE1-NE1 3.53Å; T102-W104 HydrophobicContact CG2-CD2 4.31Å; T102-W104 HydrophobicContact CG2-CH2 4.49Å; T102-W104 HydrophobicContact CG2-CZ2 3.84Å; W104-A120 HydrophobicContact CB-CB 4.2Å; W104-A120 PolarHBondContact N-O 2.94Å; W104-D122 PolarHBondContact NE1-OD1 3.18Å
105G95.9Very high95.5Very high0 Ų053.6 Ų53.60%027%0.266CS..EExtended strand (participates in β ladder)trans164.9167.2-178.200000113Y103 A120Y103-G105 VanDerWaalsContact CE2-C 3.4Å; Y103-G105 WeakPolarHBondContact CE2-O 3.32Å; G105-A120 PolarHBondContact O-N 3.06Å
106S97.4Very high95.6Very high7 Ų752.2 Ų52.25%0.04926%0.258CS..EExtended strand (participates in β ladder)trans-156.5154175.858.80000111.6S22 Q78 Y103 F118S22-S106 WeakPolarHBondContact CB-O 3.34Å; S22-S106 PolarHBondContact N-O 3.39Å; S22-S106 PolarHBondContact OG-O 3.48Å; Q78-S106 PolarHBondContact NE2-OG 3.03Å; Y103-S106 WeakPolarHBondContact OH-CB 3.4Å; Y103-S106 PolarHBondContact OH-N 3.21Å; Y103-S106 PolarHBondContact OH-OG 3.29Å; S106-F118 VanDerWaalsContact CA-O 3.27Å; S106-F118 WeakPolarHBondContact CA-O 3.38Å; S106-F118 WeakPolarHBondContact CB-O 3.49Å
107G97.1Very high95.8Very high7 Ų748.5 Ų48.57%0.07223%0.227CC..EExtended strand (participates in β ladder)trans-158.3-172.517700000112.9F118G107-F118 VanDerWaalsContact C-CD1 3.48Å; G107-F118 PolarHBondContact N-O 3.25Å; G107-F118 VanDerWaalsContact O-CD1 3.3Å; G107-F118 WeakPolarHBondContact O-CD1 3.49Å; G107-F118 PolarHBondContact O-N 3.18Å
108L97.1Very high95.9Very high88 Ų8847 Ų4746%0.46122%0.22SC..EExtended strand (participates in β ladder)trans-109.5145.5170.3-59.9-177.4000108.5H65 Y116 R117H65-L108 VanDerWaalsContact CD2-CD2 3.48Å; H65-L108 WeakPolarHBondContact CD2-CD2 3.39Å; L108-Y116 WeakPolarHBondContact CA-O 3.3Å; L108-R117 HydrophobicContact CD2-CB 4.36Å; L108-R117 HydrophobicContact CD2-CG 4.49Å
109A96.1Very high95.8Very high13 Ų1346.5 Ų46.511%0.10722%0.218CC..EExtended strand (participates in β ladder)trans-131.8153.9172.900000109.9L19 Y116 F118L19-A109 HydrophobicContact CD2-CB 3.32Å; A109-Y116 PolarHBondContact N-O 3.22Å; A109-Y116 PolarHBondContact O-N 3.4Å; A109-F118 HydrophobicContact CB-CD1 4.25Å; A109-F118 HydrophobicContact CB-CE1 4.47Å
110E95.7Very high95.9Very high122 Ų12246.4 Ų46.457%0.5722%0.217SC*.EExtended strand (participates in β ladder)trans-130.8132177.3-166.9172144.300109L114 R115E110-L114 WeakPolarHBondContact CA-O 3.37Å; E110-R115 HydrophobicContact CG-CG 4.35Å
111Y94.7Very high95.8Very high64 Ų6446.8 Ų46.825%0.25122%0.219SC..EExtended strand (participates in β ladder)trans-151.3123.3178.6177.4-113.1000109.6L13 P14 F17 D113 L114L13-Y111 HydrophobicContact CD2-CD1 3.94Å; L13-Y111 HydrophobicContact CD2-CG 3.95Å; P14-Y111 HydrophobicContact CG-CD2 4.46Å; P14-Y111 HydrophobicContact CG-CE1 3.99Å; P14-Y111 HydrophobicContact CG-CE2 3.72Å; P14-Y111 VanDerWaalsContact CG-CZ 3.43Å; P14-Y111 WeakPolarHBondContact CG-OH 3.39Å; F17-Y111 AromaticContact CE2-CD2 4Å; F17-Y111 HydrophobicContact CE2-CD2 4Å; Y111-D113 VanDerWaalsContact C-N 3.34Å; Y111-D113 PolarHBondContact O-N 2.62Å; Y111-L114 PolarHBondContact N-O 3.48Å; Y111-L114 WeakPolarHBondContact O-CB 3.44Å; Y111-L114 PolarHBondContact O-N 3.47Å
112K93.5Very high95.8Very high147 Ų14748.1 Ų48.164%0.63923%0.226SC*.THydrogen-bonded Turntrans49.651.8-178.1-63.3-177.9171.5177.80112.6L114K112-L114 PolarHBondContact O-N 3.2Å
113D92.1Very high95.9Very high150 Ų15048.1 Ų48.180%0.80222%0.221SC*.THydrogen-bonded Turntrans60.811.6-179.4-48.2-54.7000115.1Y111Y111-D113 VanDerWaalsContact C-N 3.34Å; Y111-D113 PolarHBondContact O-N 2.62Å
114L94.8Very high96Very high46 Ų4648 Ų4824%0.24122%0.222CC..EExtended strand (participates in β ladder)trans-102.2133.7173.7-62.3171000109.6R11 Y64 E110 Y111 K112 Y116R11-L114 HydrophobicContact CB-CD1 4.22Å; R11-L114 HydrophobicContact CG-CD1 4.26Å; Y64-L114 HydrophobicContact CE1-CB 4.32Å; Y64-L114 HydrophobicContact CE1-CD1 4.18Å; Y64-L114 HydrophobicContact CE1-CD2 4.28Å; E110-L114 WeakPolarHBondContact CA-O 3.37Å; Y111-L114 PolarHBondContact N-O 3.48Å; Y111-L114 WeakPolarHBondContact O-CB 3.44Å; Y111-L114 PolarHBondContact O-N 3.47Å; K112-L114 PolarHBondContact O-N 3.2Å; L114-Y116 HydrophobicContact CB-CD2 4.43Å; L114-Y116 HydrophobicContact CB-CE2 3.55Å; L114-Y116 VanDerWaalsContact O-CD2 3.26Å; L114-Y116 WeakPolarHBondContact O-CD2 3.44Å; L114-Y116 VanDerWaalsContact O-CE2 3.24Å; L114-Y116 WeakPolarHBondContact O-CE2 3.39Å
115R95.8Very high95.9Very high129 Ų12945 Ų4549%0.48722%0.219SC..EExtended strand (participates in β ladder)trans-101.3132178.7-65.4179.466.7-169.22.3110.4H65 E110H65-R115 HydrophobicContact CB-CB 3.82Å; H65-R115 WeakPolarHBondContact CB-O 3.27Å; H65-R115 PolarHBondContact N-O 2.9Å; E110-R115 HydrophobicContact CG-CG 4.35Å
116Y96.2Very high95.8Very high2 Ų246.9 Ų46.91%0.00823%0.232CC..EExtended strand (participates in β ladder)trans-120.6148.4-176.3-59.3-96.8000110.1P10 R11 L13 V62 E63 Y64 L108 A109 L114P10-Y116 HydrophobicContact CB-CD1 4.05Å; P10-Y116 HydrophobicContact CB-CE1 3.75Å; R11-Y116 WeakPolarHBondContact O-CE1 3.45Å; R11-Y116 PolarHBondContact O-OH 3.13Å; L13-Y116 HydrophobicContact CD2-CD2 4.02Å; L13-Y116 HydrophobicContact CD2-CE1 4.31Å; L13-Y116 HydrophobicContact CD2-CE2 3.76Å; L13-Y116 HydrophobicContact CD2-CG 4.42Å; V62-Y116 HydrophobicContact CG1-CD1 3.57Å; V62-Y116 HydrophobicContact CG1-CE1 4.46Å; V62-Y116 HydrophobicContact CG1-CG 4.13Å; E63-Y116 CarbonylContact O-C 3.58Å; E63-Y116 WeakPolarHBondContact O-CA 3.38Å; Y64-Y116 HydrophobicContact CD1-CD1 4.31Å; Y64-Y116 HydrophobicContact CD1-CE1 4.15Å; Y64-Y116 AromaticContact CE1-CE1 3.97Å; Y64-Y116 HydrophobicContact CE1-CE1 3.97Å; L108-Y116 WeakPolarHBondContact CA-O 3.3Å; A109-Y116 PolarHBondContact N-O 3.22Å; A109-Y116 PolarHBondContact O-N 3.4Å; L114-Y116 HydrophobicContact CB-CD2 4.43Å; L114-Y116 HydrophobicContact CB-CE2 3.55Å; L114-Y116 VanDerWaalsContact O-CD2 3.26Å; L114-Y116 WeakPolarHBondContact O-CD2 3.44Å; L114-Y116 VanDerWaalsContact O-CE2 3.24Å; L114-Y116 WeakPolarHBondContact O-CE2 3.39Å
117R96.8Very high95.7Very high36 Ų3647.7 Ų47.714%0.13624%0.235CC..EExtended strand (participates in β ladder)trans-107.3136.4164.3-175.6-178.4-49.8-72.9-3.8107.2V62 E63 H65 L70 L74 L108V62-R117 WeakPolarHBondContact CA-O 3.28Å; E63-R117 PolarHBondContact N-O 3.41Å; E63-R117 PolarHBondContact O-N 3.33Å; H65-R117 PolarHBondContact CD2-NH2 3.48Å; H65-R117 PolarHBondContact NE2-NH2 3.27Å; H65-R117 PolarHBondContact O-NH2 2.98Å; L70-R117 HydrophobicContact CD2-CB 4.08Å; L70-R117 HydrophobicContact CD2-CG 3.94Å; L70-R117 VanDerWaalsContact CD2-O 3.3Å; L70-R117 WeakPolarHBondContact CD2-O 3.48Å; L70-R117 HydrophobicContact CG-CG 4.25Å; L74-R117 HydrophobicContact CD1-CG 3.59Å; L108-R117 HydrophobicContact CD2-CB 4.36Å; L108-R117 HydrophobicContact CD2-CG 4.49Å
118F97.2Very high95.6Very high1 Ų147.3 Ų47.30%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-132.5153.4176.575-93.5000112.5L19 D21 I60 K61 V62 S106 G107 A109L19-F118 HydrophobicContact CB-CE1 4.01Å; L19-F118 HydrophobicContact CB-CE2 4.11Å; L19-F118 HydrophobicContact CB-CZ 3.79Å; L19-F118 HydrophobicContact CD1-CB 4.32Å; L19-F118 HydrophobicContact CD1-CD1 4.15Å; L19-F118 HydrophobicContact CD1-CD2 4.04Å; L19-F118 HydrophobicContact CD1-CE1 4.46Å; L19-F118 HydrophobicContact CD1-CE2 4.38Å; L19-F118 HydrophobicContact CD1-CG 3.91Å; L19-F118 HydrophobicContact CD2-CD1 4.02Å; L19-F118 HydrophobicContact CD2-CE1 4.07Å; L19-F118 HydrophobicContact CG-CD1 4.49Å; L19-F118 HydrophobicContact CG-CE1 4.43Å; D21-F118 HydrophobicContact CB-CE2 4.07Å; D21-F118 HydrophobicContact CB-CZ 4.01Å; I60-F118 HydrophobicContact CG2-CB 3.9Å; I60-F118 HydrophobicContact CG2-CD2 4.24Å; I60-F118 HydrophobicContact CG2-CG 4.44Å; K61-F118 CarbonylContact O-C 3.6Å; K61-F118 WeakPolarHBondContact O-CA 3.24Å; V62-F118 HydrophobicContact CG2-CB 4.06Å; S106-F118 VanDerWaalsContact CA-O 3.27Å; S106-F118 WeakPolarHBondContact CA-O 3.38Å; S106-F118 WeakPolarHBondContact CB-O 3.49Å; G107-F118 VanDerWaalsContact C-CD1 3.48Å; G107-F118 PolarHBondContact N-O 3.25Å; G107-F118 VanDerWaalsContact O-CD1 3.3Å; G107-F118 WeakPolarHBondContact O-CD1 3.49Å; G107-F118 PolarHBondContact O-N 3.18Å; A109-F118 HydrophobicContact CB-CD1 4.25Å; A109-F118 HydrophobicContact CB-CE1 4.47Å
119M96.9Very high95.5Very high0 Ų046.1 Ų46.10%022%0.224CC..EExtended strand (participates in β ladder)trans-135.2126.1177.2-176.3170.468.900109.4I60 K61 L70 E73 L74 Y77 Y103 M121I60-M119 CarbonylContact C-O 3.27Å; I60-M119 WeakPolarHBondContact CA-O 3.38Å; K61-M119 PolarHBondContact N-O 2.76Å; K61-M119 PolarHBondContact O-N 3.12Å; L70-M119 HydrophobicContact CD1-CB 4.03Å; L70-M119 HydrophobicContact CD1-CE 4.05Å; L70-M119 HydrophobicContact CD1-SD 4.46Å; E73-M119 HydrophobicContact CG-CE 3.86Å; E73-M119 HydrophobicContact CG-SD 4.4Å; L74-M119 HydrophobicContact CD2-CB 3.83Å; L74-M119 HydrophobicContact CD2-CG 3.61Å; L74-M119 HydrophobicContact CD2-SD 3.48Å; L74-M119 WeakPolarHBondContact CD2-SD 3.47Å; L74-M119 HydrophobicContact CG-CB 4.29Å; L74-M119 HydrophobicContact CG-CG 4.39Å; L74-M119 HydrophobicContact CG-SD 3.9Å; Y77-M119 HydrophobicContact CD2-CE 4.03Å; Y77-M119 HydrophobicContact CD2-SD 3.56Å; Y77-M119 VanDerWaalsContact CD2-SD 3.56Å; Y77-M119 HydrophobicContact CE2-CE 3.81Å; Y77-M119 HydrophobicContact CE2-SD 3.98Å; Y77-M119 HydrophobicContact CG-SD 4.34Å; Y103-M119 HydrophobicContact CD2-CG 3.79Å; Y103-M119 HydrophobicContact CD2-SD 4.02Å; Y103-M119 HydrophobicContact CE2-CG 3.97Å; Y103-M119 HydrophobicContact CE2-SD 4.43Å; M119-M121 HydrophobicContact CE-CE 4.21Å; M119-M121 HydrophobicContact CE-SD 3.72Å
120A97.4Very high95.4Very high0 Ų050.1 Ų50.10%024%0.239CC..EExtended strand (participates in β ladder)trans-90.6129.6171.300000109.6W27 V59 I60 W104 G105W27-A120 HydrophobicContact CD2-CB 4.04Å; W27-A120 HydrophobicContact CE3-CB 4.28Å; W27-A120 HydrophobicContact CH2-CB 3.9Å; W27-A120 HydrophobicContact CZ2-CB 3.63Å; W27-A120 HydrophobicContact CZ3-CB 4.21Å; V59-A120 WeakPolarHBondContact O-CA 3.31Å; I60-A120 HydrophobicContact CG1-CB 3.96Å; W104-A120 HydrophobicContact CB-CB 4.2Å; W104-A120 PolarHBondContact N-O 2.94Å; G105-A120 PolarHBondContact O-N 3.06Å
121M96.3Very high95.3Very high14 Ų1444.7 Ų44.77%0.06921%0.214CC..EExtended strand (participates in β ladder)trans-148168.8-177.165.9-171-48.700111.8V59 P101 T102 M119V59-M121 HydrophobicContact CG2-CG 3.57Å; V59-M121 HydrophobicContact CG2-SD 4.49Å; V59-M121 PolarHBondContact N-O 3.38Å; V59-M121 PolarHBondContact O-N 2.98Å; P101-M121 HydrophobicContact CB-CE 3.73Å; P101-M121 HydrophobicContact CG-CE 4.27Å; T102-M121 VanDerWaalsContact O-CA 3.23Å; T102-M121 WeakPolarHBondContact O-CA 3.18Å; T102-M121 WeakPolarHBondContact O-CB 3.43Å; M119-M121 HydrophobicContact CE-CE 4.21Å; M119-M121 HydrophobicContact CE-SD 3.72Å
122D95.6Very high95.2Very high29 Ų2942 Ų4216%0.15520%0.204CC..EExtended strand (participates in β ladder)trans-54.9138.7172.1-69.4-20.9000111.2T102 W104 L124T102-D122 WeakPolarHBondContact CA-OD2 3.27Å; T102-D122 VanDerWaalsContact CB-CG 3.48Å; T102-D122 WeakPolarHBondContact CB-OD1 3.4Å; T102-D122 WeakPolarHBondContact CB-OD2 3.33Å; T102-D122 PolarHBondContact N-OD2 3.47Å; T102-D122 PolarHBondContact O-N 3Å; T102-D122 VanDerWaalsContact O-N 3.11Å; T102-D122 PolarHBondContact OG1-OD2 3.42Å; W104-D122 PolarHBondContact NE1-OD1 3.18Å; D122-L124 HydrophobicContact CB-CD2 4.49Å
123R96.8Very high95.1Very high40 Ų4040.6 Ų40.615%0.15120%0.2CC..  trans-71.7129.9164.9-176.2178.7178.7175.70.2109.1S54 T56 D57 V59 Y177S54-R123 PolarHBondContact O-NH1 3.35Å; S54-R123 PolarHBondContact O-NH2 3.09Å; T56-R123 WeakPolarHBondContact O-CD 3.39Å; T56-R123 PolarHBondContact O-NH1 3.3Å; D57-R123 WeakPolarHBondContact O-CB 3.41Å; D57-R123 PolarHBondContact O-N 2.78Å; V59-R123 HydrophobicContact CG1-CB 3.84Å; V59-R123 HydrophobicContact CG1-CG 3.84Å; R123-Y177 HydrophobicContact CG-CD1 4.3Å; R123-Y177 HydrophobicContact CG-CD2 4.29Å; R123-Y177 HydrophobicContact CG-CG 4.04Å; R123-Y177 VanDerWaalsContact CZ-CZ 3.41Å; R123-Y177 PolarHBondContact NH1-OH 2.97Å; R123-Y177 WeakPolarHBondContact O-CB 3.28Å
124L96.4Very high95.1Very high25 Ų2542.5 Ų42.513%0.13120%0.196CC..EExtended strand (participates in β ladder)trans-109.9163.6174.1-54.8172.9000110.3P101 D122 M174 Y184 A186P101-L124 HydrophobicContact CB-CD1 4.31Å; P101-L124 HydrophobicContact CG-CD1 3.87Å; D122-L124 HydrophobicContact CB-CD2 4.49Å; L124-M174 HydrophobicContact CB-CB 3.74Å; L124-M174 HydrophobicContact CB-CE 4.25Å; L124-M174 HydrophobicContact CB-CG 4.38Å; L124-M174 HydrophobicContact CD1-CB 3.62Å; L124-M174 HydrophobicContact CD1-CG 3.89Å; L124-M174 HydrophobicContact CG-CB 4.24Å; L124-Y184 HydrophobicContact CD1-CG 4.5Å; L124-Y184 HydrophobicContact CD2-CD1 4.21Å; L124-Y184 HydrophobicContact CD2-CD2 3.67Å; L124-Y184 HydrophobicContact CD2-CE1 4.44Å; L124-Y184 HydrophobicContact CD2-CE2 3.95Å; L124-Y184 HydrophobicContact CD2-CG 3.79Å; L124-A186 HydrophobicContact CD1-CB 4.27Å
125G95.2Very high94.8Very high26 Ų2642.4 Ų42.427%0.26820%0.196SC..EExtended strand (participates in β ladder)trans-78.6-148.117800000112.8M174 L175G125-M174 WeakPolarHBondContact O-CE 3.44Å; G125-L175 WeakPolarHBondContact CA-O 3.19Å; G125-L175 PolarHBondContact N-O 3.09Å
126C93.4Very high94.5Very high39 Ų3939.5 Ų39.526%0.26421%0.205SC..EExtended strand (participates in β ladder)trans-75.1154.8174.761.20000111.9K130 L175C126-K130 HydrophobicContact CB-CD 4.22Å; C126-L175 PolarHBondContact O-N 3Å
127D95.1Very high94.1Very high23 Ų2340.8 Ų40.812%0.12322%0.219CC..EExtended strand (participates in β ladder)trans-70.2153.4169.554.486.6000111.9Q129 K130 L173 M174D127-Q129 PolarHBondContact O-N 3.22Å; D127-Q129 VanDerWaalsContact OD1-CB 3.3Å; D127-Q129 WeakPolarHBondContact OD1-CB 3.44Å; D127-Q129 PolarHBondContact OD1-N 3.46Å; D127-K130 PolarHBondContact O-N 3.4Å; D127-K130 WeakPolarHBondContact OD1-CG 3.46Å; D127-K130 PolarHBondContact OD1-N 3.35Å; D127-K130 WeakPolarHBondContact OD2-CD 3.46Å; D127-K130 VanDerWaalsContact OD2-CE 3.28Å; D127-K130 WeakPolarHBondContact OD2-CE 3.4Å; D127-K130 IonicContact OD2-NZ 3.26Å; D127-K130 PolarHBondContact OD2-NZ 2.89Å; D127-L173 CarbonylContact C-O 3.59Å; D127-L173 VanDerWaalsContact CA-O 3.24Å; D127-L173 WeakPolarHBondContact CA-O 3.48Å; D127-M174 HydrophobicContact CB-SD 3.68Å
128L95.3Very high93.8Very high0 Ų043.8 Ų43.80%023%0.231CC..Hα-helixtrans-67.1-23.1178.2-16972.5000111.2K130 V131 C132 L139 L147 A170 L173 W244 L324L128-K130 PolarHBondContact O-N 2.99Å; L128-V131 HydrophobicContact CD1-CB 4.16Å; L128-V131 HydrophobicContact CD1-CG1 4.39Å; L128-V131 HydrophobicContact CD1-CG2 4.45Å; L128-V131 WeakPolarHBondContact O-CA 3.2Å; L128-V131 WeakPolarHBondContact O-CB 2.99Å; L128-V131 PolarHBondContact O-N 3.14Å; L128-C132 PolarHBondContact O-N 3.37Å; L128-C132 PolarHBondContact O-SG 3.34Å; L128-C132 VanDerWaalsContact O-SG 3.34Å; L128-L139 HydrophobicContact CD1-CD1 4.4Å; L128-L139 HydrophobicContact CD2-CD1 4.38Å; L128-L147 HydrophobicContact CD1-CD1 4.37Å; L128-L147 HydrophobicContact CD2-CD1 3.8Å; L128-A170 HydrophobicContact CB-CB 4.16Å; L128-A170 WeakPolarHBondContact CB-O 3.31Å; L128-A170 HydrophobicContact CD2-CB 4.42Å; L128-A170 HydrophobicContact CG-CB 4.44Å; L128-A170 PolarHBondContact N-O 3.44Å; L128-L173 HydrophobicContact CB-CB 3.84Å; L128-L173 HydrophobicContact CD2-CB 4.25Å; L128-L173 HydrophobicContact CD2-CD1 3.72Å; L128-L173 PolarHBondContact N-O 2.76Å; L128-W244 HydrophobicContact CD2-CH2 4.37Å; L128-W244 HydrophobicContact CD2-CZ2 4.29Å; L128-W244 HydrophobicContact CD2-CZ3 4.47Å; L128-L324 HydrophobicContact CD1-CD2 4.02Å
129Q95.1Very high93.6Very high63 Ų6344.3 Ų44.329%0.29423%0.234SC..Hα-helixtrans-59.9-46.4175.8176.165.933.400110.7D127 V131 C132 E133 A170 A171D127-Q129 PolarHBondContact O-N 3.22Å; D127-Q129 VanDerWaalsContact OD1-CB 3.3Å; D127-Q129 WeakPolarHBondContact OD1-CB 3.44Å; D127-Q129 PolarHBondContact OD1-N 3.46Å; Q129-V131 VanDerWaalsContact C-N 3.25Å; Q129-V131 PolarHBondContact O-N 3.32Å; Q129-C132 PolarHBondContact O-N 2.9Å; Q129-E133 WeakPolarHBondContact CG-OE1 3.37Å; Q129-E133 PolarHBondContact NE2-OE1 3.39Å; Q129-E133 WeakPolarHBondContact O-CG 3.28Å; Q129-E133 PolarHBondContact O-N 2.86Å; Q129-A170 HydrophobicContact CB-CB 3.95Å; Q129-A170 PolarHBondContact N-O 3.39Å; Q129-A171 HydrophobicContact CB-CB 4.21Å
130K94.1Very high93.5Very high96 Ų9648.6 Ų48.642%0.41725%0.252SS..Hα-helixtrans-60.4-32.8172.3-74.3169.4-175.4138.10113.4C126 D127 L128 R134C126-K130 HydrophobicContact CB-CD 4.22Å; D127-K130 PolarHBondContact O-N 3.4Å; D127-K130 WeakPolarHBondContact OD1-CG 3.46Å; D127-K130 PolarHBondContact OD1-N 3.35Å; D127-K130 WeakPolarHBondContact OD2-CD 3.46Å; D127-K130 VanDerWaalsContact OD2-CE 3.28Å; D127-K130 WeakPolarHBondContact OD2-CE 3.4Å; D127-K130 IonicContact OD2-NZ 3.26Å; D127-K130 PolarHBondContact OD2-NZ 2.89Å; L128-K130 PolarHBondContact O-N 2.99Å; K130-R134 WeakPolarHBondContact O-CD 3.24Å; K130-R134 VanDerWaalsContact O-CG 3.27Å; K130-R134 WeakPolarHBondContact O-CG 3.17Å; K130-R134 PolarHBondContact O-N 3.22Å
131V92.5Very high93.3Very high9 Ų950.9 Ų50.96%0.05526%0.262CS..Hα-helixtrans-68.8-48.4175.8179.90000109.9L128 Q129 E133 R134 N135 L139 L175 L324L128-V131 HydrophobicContact CD1-CB 4.16Å; L128-V131 HydrophobicContact CD1-CG1 4.39Å; L128-V131 HydrophobicContact CD1-CG2 4.45Å; L128-V131 WeakPolarHBondContact O-CA 3.2Å; L128-V131 WeakPolarHBondContact O-CB 2.99Å; L128-V131 PolarHBondContact O-N 3.14Å; Q129-V131 VanDerWaalsContact C-N 3.25Å; Q129-V131 PolarHBondContact O-N 3.32Å; V131-E133 VanDerWaalsContact C-N 3.32Å; V131-E133 PolarHBondContact O-N 3.06Å; V131-R134 PolarHBondContact O-N 3.48Å; V131-N135 PolarHBondContact O-N 2.94Å; V131-N135 VanDerWaalsContact O-N 3.14Å; V131-N135 PolarHBondContact O-ND2 3.41Å; V131-L139 HydrophobicContact CG1-CD2 4.31Å; V131-L175 HydrophobicContact CG2-CD1 4.16Å; V131-L324 HydrophobicContact CG1-CB 3.97Å; V131-L324 HydrophobicContact CG1-CD2 4.24Å
132C92.3Very high93.1Very high6 Ų652.5 Ų52.54%0.04127%0.273CS..Hα-helixtrans-57.3-44.5175.6-66.90000111.5L128 Q129 R134 N135 G136 G137L128-C132 PolarHBondContact O-N 3.37Å; L128-C132 PolarHBondContact O-SG 3.34Å; L128-C132 VanDerWaalsContact O-SG 3.34Å; Q129-C132 PolarHBondContact O-N 2.9Å; C132-R134 VanDerWaalsContact C-N 3.35Å; C132-R134 PolarHBondContact O-N 3.22Å; C132-N135 CarbonylContact O-C 3.56Å; C132-N135 PolarHBondContact O-N 3.14Å; C132-N135 VanDerWaalsContact O-N 3.09Å; C132-G136 PolarHBondContact O-N 3.01Å; C132-G137 WeakPolarHBondContact O-CA 3.43Å; C132-G137 PolarHBondContact O-N 2.91Å
133E92.4Very high93.1Very high118 Ų11851.1 Ų51.155%0.55127%0.266SS*.Hα-helixtrans-59.6-42178.2-74.8166.3-173.400112.7Q129 V131 N135 G136Q129-E133 WeakPolarHBondContact CG-OE1 3.37Å; Q129-E133 PolarHBondContact NE2-OE1 3.39Å; Q129-E133 WeakPolarHBondContact O-CG 3.28Å; Q129-E133 PolarHBondContact O-N 2.86Å; V131-E133 VanDerWaalsContact C-N 3.32Å; V131-E133 PolarHBondContact O-N 3.06Å; E133-N135 VanDerWaalsContact C-N 3.25Å; E133-N135 PolarHBondContact O-N 2.95Å; E133-G136 PolarHBondContact O-N 2.77Å
134R92.1Very high93Very high190 Ų19049.2 Ų49.272%0.71726%0.258SS*.Hα-helixtrans-64.3-31.7175.5-71.5168.5-175.5-179.21.2112.5K130 V131 C132 G136K130-R134 WeakPolarHBondContact O-CD 3.24Å; K130-R134 VanDerWaalsContact O-CG 3.27Å; K130-R134 WeakPolarHBondContact O-CG 3.17Å; K130-R134 PolarHBondContact O-N 3.22Å; V131-R134 PolarHBondContact O-N 3.48Å; C132-R134 VanDerWaalsContact C-N 3.35Å; C132-R134 PolarHBondContact O-N 3.22Å; R134-G136 VanDerWaalsContact C-N 3.3Å; R134-G136 PolarHBondContact O-N 3.45Å
135N88.7Confident93Very high45 Ų4548.3 Ų48.324%0.24125%0.253CS..THydrogen-bonded Turntrans-92.919.9179.7-64.7-28.3000113.1V131 C132 E133 G137 R138 L324 S325V131-N135 PolarHBondContact O-N 2.94Å; V131-N135 VanDerWaalsContact O-N 3.14Å; V131-N135 PolarHBondContact O-ND2 3.41Å; C132-N135 CarbonylContact O-C 3.56Å; C132-N135 PolarHBondContact O-N 3.14Å; C132-N135 VanDerWaalsContact O-N 3.09Å; E133-N135 VanDerWaalsContact C-N 3.25Å; E133-N135 PolarHBondContact O-N 2.95Å; N135-G137 VanDerWaalsContact C-N 3.32Å; N135-G137 PolarHBondContact O-N 3.44Å; N135-R138 WeakPolarHBondContact CB-O 3.43Å; N135-R138 PolarHBondContact O-N 3.35Å; N135-L324 PolarHBondContact ND2-O 3.39Å; N135-L324 VanDerWaalsContact ND2-O 3.08Å; N135-S325 PolarHBondContact OD1-OXT 2.87Å
136G87.8Confident93Very high67 Ų6748 Ų4869%0.69125%0.245SC*.THydrogen-bonded Turntrans68.230.2176.500000113.8C132 E133 R134C132-G136 PolarHBondContact O-N 3.01Å; E133-G136 PolarHBondContact O-N 2.77Å; R134-G136 VanDerWaalsContact C-N 3.3Å; R134-G136 PolarHBondContact O-N 3.45Å
137G88.1Confident93.1Very high29 Ų2946.1 Ų46.130%0.29923%0.233SC..THydrogen-bonded Turntrans83.84.6178.300000115C132 N135C132-G137 WeakPolarHBondContact O-CA 3.43Å; C132-G137 PolarHBondContact O-N 2.91Å; N135-G137 VanDerWaalsContact C-N 3.32Å; N135-G137 PolarHBondContact O-N 3.44Å
138R91.8Very high93.3Very high100 Ų10045 Ų4538%0.37723%0.227SC..  trans-130.2153.1-175.6-69.1-175.7-65.5175.22.8112.6N135 W244 G247 V281 S282N135-R138 WeakPolarHBondContact CB-O 3.43Å; N135-R138 PolarHBondContact O-N 3.35Å; R138-W244 CarbonylContact C-O 3.47Å; R138-W244 WeakPolarHBondContact CA-O 3.27Å; R138-G247 VanDerWaalsContact CG-CA 3.41Å; R138-V281 VanDerWaalsContact NH1-CG1 3.29Å; R138-S282 PolarHBondContact NH1-OG 3.37Å
139L93.3Very high93.3Very high12 Ų1247.7 Ų47.76%0.06324%0.238CC..  trans-122153.4171.9-61.5-179.7000109.9L128 V131 T143 V144 L147 W244L128-L139 HydrophobicContact CD1-CD1 4.4Å; L128-L139 HydrophobicContact CD2-CD1 4.38Å; V131-L139 HydrophobicContact CG1-CD2 4.31Å; L139-T143 HydrophobicContact CD1-CG2 4.44Å; L139-V144 HydrophobicContact CB-CG2 3.79Å; L139-L147 HydrophobicContact CD1-CD1 3.77Å; L139-W244 HydrophobicContact CD1-CB 4.16Å; L139-W244 HydrophobicContact CD1-CG 4.42Å; L139-W244 HydrophobicContact CG-CB 4.39Å; L139-W244 PolarHBondContact N-O 2.8Å
140K93Very high93.4Very high89 Ų8947.7 Ų47.739%0.38724%0.235SC..  trans-61.6145.1174.4-68.3164-179142.80110T142 T143 V144 D323 S325K140-T142 VanDerWaalsContact C-N 3.27Å; K140-T142 PolarHBondContact O-N 2.78Å; K140-T143 WeakPolarHBondContact O-CA 3.39Å; K140-T143 WeakPolarHBondContact O-CB 3.39Å; K140-T143 PolarHBondContact O-N 3.21Å; K140-V144 PolarHBondContact O-N 3.29Å; K140-D323 HydrophobicContact CD-CB 4.41Å; K140-D323 WeakPolarHBondContact CD-OD2 3.48Å; K140-D323 WeakPolarHBondContact CE-OD2 3.42Å; K140-D323 IonicContact NZ-OD1 2.7Å; K140-D323 PolarHBondContact NZ-OD1 2.94Å; K140-D323 VanDerWaalsContact NZ-OD1 3.13Å; K140-D323 IonicContact NZ-OD2 3.47Å; K140-D323 PolarHBondContact NZ-OD2 3.08Å; K140-S325 PolarHBondContact NZ-O 3.3Å; K140-S325 PolarHBondContact NZ-OG 2.98Å
141K93.8Very high93.6Very high49 Ų4943.4 Ų43.421%0.21322%0.217CC..Hα-helixtrans-51-46178.6-178.3174.3176.6169.40112.5T143 V144 L145 L245 S285 E288K141-T143 VanDerWaalsContact C-N 3.32Å; K141-T143 PolarHBondContact O-N 2.94Å; K141-V144 PolarHBondContact O-N 2.76Å; K141-L145 HydrophobicContact CG-CD1 4.04Å; K141-L145 HydrophobicContact CG-CG 4.29Å; K141-L145 VanDerWaalsContact O-CG 3.31Å; K141-L145 WeakPolarHBondContact O-CG 3.49Å; K141-L145 PolarHBondContact O-N 2.81Å; K141-L245 HydrophobicContact CB-CD1 3.85Å; K141-L245 HydrophobicContact CG-CD1 4.34Å; K141-S285 WeakPolarHBondContact CD-O 3.49Å; K141-S285 VanDerWaalsContact CE-O 3.32Å; K141-S285 WeakPolarHBondContact CE-O 3.39Å; K141-S285 PolarHBondContact NZ-O 2.95Å; K141-S285 PolarHBondContact NZ-OG 3.32Å; K141-E288 WeakPolarHBondContact CE-OE1 3.45Å; K141-E288 WeakPolarHBondContact CE-OE2 3.37Å; K141-E288 IonicContact NZ-OE1 2.69Å; K141-E288 PolarHBondContact NZ-OE1 3.13Å; K141-E288 IonicContact NZ-OE2 3.13Å; K141-E288 PolarHBondContact NZ-OE2 3.29Å
142T93.3Very high93.9Very high48 Ų4843 Ų4329%0.29421%0.214SC..Hα-helixtrans-56.6-45.5177.347.50000112.1K140 L145 Q146 V318K140-T142 VanDerWaalsContact C-N 3.27Å; K140-T142 PolarHBondContact O-N 2.78Å; T142-L145 PolarHBondContact O-N 3.44Å; T142-Q146 WeakPolarHBondContact O-CB 3.39Å; T142-Q146 VanDerWaalsContact O-CG 3.26Å; T142-Q146 WeakPolarHBondContact O-CG 3.43Å; T142-Q146 PolarHBondContact O-N 3.14Å; T142-V318 HydrophobicContact CG2-CG2 3.96Å
143T93.9Very high94.1Very high0 Ų043.6 Ų43.60%022%0.218CC..Hα-helixtrans-63.9-45.3177.7-49.80000111.4L139 K140 K141 L145 Q146 L147 L322 D323 L324L139-T143 HydrophobicContact CD1-CG2 4.44Å; K140-T143 WeakPolarHBondContact O-CA 3.39Å; K140-T143 WeakPolarHBondContact O-CB 3.39Å; K140-T143 PolarHBondContact O-N 3.21Å; K141-T143 VanDerWaalsContact C-N 3.32Å; K141-T143 PolarHBondContact O-N 2.94Å; T143-L145 PolarHBondContact O-N 3.31Å; T143-Q146 PolarHBondContact O-N 3.47Å; T143-L147 HydrophobicContact CG2-CD1 4.15Å; T143-L147 HydrophobicContact CG2-CG 4.49Å; T143-L147 WeakPolarHBondContact O-CB 3.39Å; T143-L147 VanDerWaalsContact O-CG 3.24Å; T143-L147 WeakPolarHBondContact O-CG 3.34Å; T143-L147 PolarHBondContact O-N 2.85Å; T143-L322 HydrophobicContact CG2-CD2 4.13Å; T143-D323 WeakPolarHBondContact CB-O 3.28Å; T143-D323 VanDerWaalsContact CG2-O 3.24Å; T143-D323 WeakPolarHBondContact CG2-O 3.42Å; T143-D323 PolarHBondContact OG1-O 3.39Å; T143-L324 HydrophobicContact CG2-CD2 3.85Å
144V95.9Very high94.4Very high0 Ų038.1 Ų38.10%019%0.192CC..Hα-helixtrans-59.1-48.4176.8174.70000111L139 K140 K141 L147 G148 L241 W244 L245L139-V144 HydrophobicContact CB-CG2 3.79Å; K140-V144 PolarHBondContact O-N 3.29Å; K141-V144 PolarHBondContact O-N 2.76Å; V144-L147 PolarHBondContact O-N 2.62Å; V144-G148 PolarHBondContact O-N 3.07Å; V144-L241 HydrophobicContact CG1-CB 3.85Å; V144-L241 HydrophobicContact CG1-CD2 3.69Å; V144-L241 HydrophobicContact CG1-CG 4.35Å; V144-L241 WeakPolarHBondContact CG1-O 2.93Å; V144-L241 WeakPolarHBondContact O-CD2 3.3Å; V144-W244 HydrophobicContact CG2-CB 3.99Å; V144-L245 HydrophobicContact CG1-CB 4.35Å; V144-L245 HydrophobicContact CG2-CB 4.19Å
145L96.3Very high94.8Very high5 Ų529 Ų293%0.02616%0.158CC..Hα-helixtrans-64-43.9-179.9-66.8-178.2000112K141 T142 T143 L147 G148 K149 E288 L289 L314 C316K141-L145 HydrophobicContact CG-CD1 4.04Å; K141-L145 HydrophobicContact CG-CG 4.29Å; K141-L145 VanDerWaalsContact O-CG 3.31Å; K141-L145 WeakPolarHBondContact O-CG 3.49Å; K141-L145 PolarHBondContact O-N 2.81Å; T142-L145 PolarHBondContact O-N 3.44Å; T143-L145 PolarHBondContact O-N 3.31Å; L145-L147 PolarHBondContact O-N 3.19Å; L145-G148 PolarHBondContact O-N 2.96Å; L145-K149 WeakPolarHBondContact O-CG 3.47Å; L145-K149 PolarHBondContact O-N 3.21Å; L145-E288 HydrophobicContact CD1-CG 4.3Å; L145-E288 HydrophobicContact CD2-CB 3.88Å; L145-E288 HydrophobicContact CD2-CG 4.43Å; L145-L289 HydrophobicContact CD2-CD2 4.11Å; L145-L314 HydrophobicContact CD2-CD2 3.74Å; L145-C316 HydrophobicContact CB-CB 4.39Å; L145-C316 HydrophobicContact CD1-CB 4.08Å
146Q94.9Very high95.2Very high20 Ų2028.1 Ų28.19%0.09315%0.152CC..Hα-helixtrans-63-41175.4-73.4173.1-22.600112.8T142 T143 K149 R150 G321 L322T142-Q146 WeakPolarHBondContact O-CB 3.39Å; T142-Q146 VanDerWaalsContact O-CG 3.26Å; T142-Q146 WeakPolarHBondContact O-CG 3.43Å; T142-Q146 PolarHBondContact O-N 3.14Å; T143-Q146 PolarHBondContact O-N 3.47Å; Q146-K149 PolarHBondContact O-N 2.87Å; Q146-R150 WeakPolarHBondContact O-CD 3.29Å; Q146-R150 VanDerWaalsContact O-CG 3.31Å; Q146-R150 WeakPolarHBondContact O-CG 3.35Å; Q146-R150 PolarHBondContact O-N 2.9Å; Q146-R150 VanDerWaalsContact O-N 3.16Å; Q146-G321 PolarHBondContact NE2-O 3Å; Q146-G321 PolarHBondContact OE1-O 2.8Å; Q146-L322 HydrophobicContact CB-CD2 3.73Å
147L96.4Very high95.8Very high0 Ų025 Ų250%012%0.119CC..Hα-helixtrans-60.3-47.1172.7-75.9170.3000110.5L128 L139 T143 V144 L145 K149 R150 L151 V183 W244 L322L128-L147 HydrophobicContact CD1-CD1 4.37Å; L128-L147 HydrophobicContact CD2-CD1 3.8Å; L139-L147 HydrophobicContact CD1-CD1 3.77Å; T143-L147 HydrophobicContact CG2-CD1 4.15Å; T143-L147 HydrophobicContact CG2-CG 4.49Å; T143-L147 WeakPolarHBondContact O-CB 3.39Å; T143-L147 VanDerWaalsContact O-CG 3.24Å; T143-L147 WeakPolarHBondContact O-CG 3.34Å; T143-L147 PolarHBondContact O-N 2.85Å; V144-L147 PolarHBondContact O-N 2.62Å; L145-L147 PolarHBondContact O-N 3.19Å; L147-K149 PolarHBondContact O-N 2.85Å; L147-R150 PolarHBondContact O-N 2.85Å; L147-L151 WeakPolarHBondContact O-CB 3.47Å; L147-L151 VanDerWaalsContact O-CG 3.26Å; L147-L151 WeakPolarHBondContact O-CG 3.25Å; L147-L151 PolarHBondContact O-N 3.13Å; L147-V183 HydrophobicContact CD2-CB 4.3Å; L147-V183 HydrophobicContact CD2-CG1 4.12Å; L147-V183 HydrophobicContact CD2-CG2 3.88Å; L147-W244 HydrophobicContact CB-CZ3 4.48Å; L147-W244 HydrophobicContact CD1-CE3 4.27Å; L147-W244 HydrophobicContact CD1-CZ3 4.4Å; L147-L322 HydrophobicContact CD2-CD1 4.12Å; L147-L322 HydrophobicContact CD2-CD2 4.1Å; L147-L322 HydrophobicContact CG-CD2 3.97Å
148G97.6Very high96.3Very high0 Ų023.6 Ų23.60%011%0.105CC..Hα-helixtrans-54.2-49.9176.600000112.3V144 L145 R150 L151 V152V144-G148 PolarHBondContact O-N 3.07Å; L145-G148 PolarHBondContact O-N 2.96Å; G148-R150 PolarHBondContact O-N 2.86Å; G148-L151 PolarHBondContact O-N 3.23Å; G148-V152 WeakPolarHBondContact O-CG2 3.45Å; G148-V152 PolarHBondContact O-N 3.39Å
149K96.1Very high96.6Very high55 Ų5518.9 Ų18.924%0.2399%0.087CC..Hα-helixtrans-57.6-46.3177.3-68.4177.380.1177.20112.7L145 Q146 L147 L151 V152 D153 L314 D315L145-K149 WeakPolarHBondContact O-CG 3.47Å; L145-K149 PolarHBondContact O-N 3.21Å; Q146-K149 PolarHBondContact O-N 2.87Å; L147-K149 PolarHBondContact O-N 2.85Å; K149-L151 VanDerWaalsContact C-N 3.31Å; K149-L151 PolarHBondContact O-N 3.39Å; K149-V152 PolarHBondContact O-N 2.77Å; K149-D153 PolarHBondContact O-N 2.79Å; K149-D153 VanDerWaalsContact O-N 3.13Å; K149-L314 WeakPolarHBondContact CD-O 3.38Å; K149-L314 HydrophobicContact CG-CB 3.68Å; K149-D315 IonicContact NZ-OD1 3.92Å; K149-D315 PolarHBondContact NZ-OD1 2.83Å
150R96.2Very high96.9Very high63 Ų6321.8 Ų21.824%0.23810%0.101CC..Hα-helixtrans-64.2-37.8179.4-69.8162.9175.2-117.314.6111.6Q146 L147 G148 D153 V154 D181Q146-R150 WeakPolarHBondContact O-CD 3.29Å; Q146-R150 VanDerWaalsContact O-CG 3.31Å; Q146-R150 WeakPolarHBondContact O-CG 3.35Å; Q146-R150 PolarHBondContact O-N 2.9Å; Q146-R150 VanDerWaalsContact O-N 3.16Å; L147-R150 PolarHBondContact O-N 2.85Å; G148-R150 PolarHBondContact O-N 2.86Å; R150-D153 WeakPolarHBondContact O-CB 3.43Å; R150-D153 PolarHBondContact O-N 2.8Å; R150-V154 PolarHBondContact O-N 3.35Å; R150-D181 VanDerWaalsContact CZ-O 3.24Å; R150-D181 PolarHBondContact NH1-O 2.92Å; R150-D181 PolarHBondContact NH2-O 3.49Å; R150-D181 VanDerWaalsContact NH2-O 3.14Å
151L98.4Very high97.1Very high6 Ų619.7 Ų19.73%0.0319%0.094CC..Hα-helixtrans-72.5-36.3177.3-66.7171000111.7L147 G148 K149 D153 V154 L155 L173 L185 L237 W244L147-L151 WeakPolarHBondContact O-CB 3.47Å; L147-L151 VanDerWaalsContact O-CG 3.26Å; L147-L151 WeakPolarHBondContact O-CG 3.25Å; L147-L151 PolarHBondContact O-N 3.13Å; G148-L151 PolarHBondContact O-N 3.23Å; K149-L151 VanDerWaalsContact C-N 3.31Å; K149-L151 PolarHBondContact O-N 3.39Å; L151-D153 VanDerWaalsContact C-N 3.27Å; L151-D153 PolarHBondContact O-N 2.77Å; L151-V154 PolarHBondContact O-N 2.73Å; L151-V154 VanDerWaalsContact O-N 3.13Å; L151-L155 WeakPolarHBondContact O-CB 3.45Å; L151-L155 VanDerWaalsContact O-CG 3.28Å; L151-L155 WeakPolarHBondContact O-CG 3.21Å; L151-L155 PolarHBondContact O-N 3.39Å; L151-L173 HydrophobicContact CD1-CD1 3.8Å; L151-L173 HydrophobicContact CD1-CD2 4.37Å; L151-L173 HydrophobicContact CD2-CD1 4.37Å; L151-L173 HydrophobicContact CD2-CD2 3.48Å; L151-L173 VanDerWaalsContact CD2-CD2 3.48Å; L151-L185 HydrophobicContact CD2-CB 4.49Å; L151-L237 HydrophobicContact CB-CD1 3.89Å; L151-L237 HydrophobicContact CB-CD2 4.04Å; L151-L237 HydrophobicContact CD1-CD1 3.5Å; L151-L237 VanDerWaalsContact CD1-CD1 3.5Å; L151-L237 HydrophobicContact CG-CD1 4.34Å; L151-W244 HydrophobicContact CD1-CH2 4.1Å; L151-W244 HydrophobicContact CD1-CZ3 4.18Å
152V98.7Very high97.3Very high0 Ų019.4 Ų19.40%09%0.093CC..Hα-helixtrans-60.2-38.1171.5174.40000111.3G148 K149 V154 L155 E156 L237 F292 Y307 L310 K311 L314G148-V152 WeakPolarHBondContact O-CG2 3.45Å; G148-V152 PolarHBondContact O-N 3.39Å; K149-V152 PolarHBondContact O-N 2.77Å; V152-V154 PolarHBondContact O-N 3.06Å; V152-L155 PolarHBondContact O-N 2.85Å; V152-E156 WeakPolarHBondContact O-CB 3.01Å; V152-E156 PolarHBondContact O-N 2.87Å; V152-L237 HydrophobicContact CG2-CD2 3.9Å; V152-F292 HydrophobicContact CG2-CE2 4.18Å; V152-Y307 HydrophobicContact CG1-CD1 4.13Å; V152-L310 HydrophobicContact CG1-CB 4.14Å; V152-L310 HydrophobicContact CG2-CB 4.31Å; V152-K311 HydrophobicContact CB-CG 4Å; V152-K311 HydrophobicContact CG1-CD 4.23Å; V152-K311 HydrophobicContact CG1-CG 3.66Å; V152-L314 HydrophobicContact CG2-CD1 4.1Å
153D98.4Very high97.6Very high20 Ų2017.6 Ų17.611%0.1078%0.081CC..Hα-helixtrans-61.9-41.1173.3-77.4-40000112.6L95 L98 K149 R150 L151 Y157 K311L95-D153 HydrophobicContact CD1-CB 4.44Å; L98-D153 HydrophobicContact CD1-CB 4.09Å; L98-D153 WeakPolarHBondContact CD1-O 3.42Å; K149-D153 PolarHBondContact O-N 2.79Å; K149-D153 VanDerWaalsContact O-N 3.13Å; R150-D153 WeakPolarHBondContact O-CB 3.43Å; R150-D153 PolarHBondContact O-N 2.8Å; L151-D153 VanDerWaalsContact C-N 3.27Å; L151-D153 PolarHBondContact O-N 2.77Å; D153-Y157 PolarHBondContact O-N 3.19Å; D153-K311 WeakPolarHBondContact OD1-CD 3.37Å; D153-K311 WeakPolarHBondContact OD1-CE 3.26Å; D153-K311 IonicContact OD1-NZ 2.91Å; D153-K311 PolarHBondContact OD1-NZ 2.98Å; D153-K311 IonicContact OD2-NZ 2.64Å; D153-K311 PolarHBondContact OD2-NZ 2.99Å
154V98.7Very high97.8Very high2 Ų217.6 Ų17.61%0.0128%0.081CC..Hα-helixtrans-67.8-44.4176.1175.10000111.2L98 I100 R150 L151 V152 Y157 I158 L185L98-V154 HydrophobicContact CD1-CG2 4.13Å; I100-V154 HydrophobicContact CD1-CG1 4.39Å; I100-V154 HydrophobicContact CG1-CG1 3.96Å; R150-V154 PolarHBondContact O-N 3.35Å; L151-V154 PolarHBondContact O-N 2.73Å; L151-V154 VanDerWaalsContact O-N 3.13Å; V152-V154 PolarHBondContact O-N 3.06Å; V154-Y157 WeakPolarHBondContact O-CB 3.44Å; V154-Y157 PolarHBondContact O-N 2.81Å; V154-I158 PolarHBondContact O-N 3.38Å; V154-L185 HydrophobicContact CG1-CB 4.02Å; V154-L185 HydrophobicContact CG1-CD2 3.8Å
155L98.9Very high97.9Very high0 Ų017.6 Ų17.60%08%0.081CC..Hα-helixtrans-63.1-45.2178.7-68.8-176.5000111.4L151 V152 Y157 I158 H159 I168 D233 L234 L237L151-L155 WeakPolarHBondContact O-CB 3.45Å; L151-L155 VanDerWaalsContact O-CG 3.28Å; L151-L155 WeakPolarHBondContact O-CG 3.21Å; L151-L155 PolarHBondContact O-N 3.39Å; V152-L155 PolarHBondContact O-N 2.85Å; L155-Y157 VanDerWaalsContact C-N 3.28Å; L155-Y157 PolarHBondContact O-N 3.32Å; L155-I158 HydrophobicContact CD2-CD1 3.85Å; L155-I158 HydrophobicContact CD2-CG1 4.43Å; L155-I158 WeakPolarHBondContact O-CG1 3.49Å; L155-I158 PolarHBondContact O-N 3.4Å; L155-H159 WeakPolarHBondContact O-CB 3.5Å; L155-H159 PolarHBondContact O-CD2 3.33Å; L155-H159 VanDerWaalsContact O-CD2 3.32Å; L155-H159 PolarHBondContact O-N 3.27Å; L155-H159 PolarHBondContact O-ND1 2.93Å; L155-I168 HydrophobicContact CD1-CD1 3.89Å; L155-I168 HydrophobicContact CD2-CD1 3.75Å; L155-I168 HydrophobicContact CG-CD1 4.33Å; L155-D233 HydrophobicContact CD1-CB 4.24Å; L155-D233 HydrophobicContact CD2-CB 4.05Å; L155-L234 HydrophobicContact CD1-CD2 3.87Å; L155-L237 HydrophobicContact CD1-CB 4.37Å; L155-L237 HydrophobicContact CD1-CD2 3.86Å
156E98.8Very high98Very high25 Ų2518 Ų1812%0.1179%0.085CC..Hα-helixtrans-54.9-47.4173.8-174.3178.9-154.700110.6W89 K93 V152 H159 E160 Y307W89-E156 HydrophobicContact CH2-CG 3.99Å; W89-E156 HydrophobicContact CZ2-CB 4.37Å; W89-E156 HydrophobicContact CZ2-CG 3.76Å; K93-E156 IonicContact NZ-OE1 3.03Å; K93-E156 PolarHBondContact NZ-OE1 2.79Å; K93-E156 IonicContact NZ-OE2 3.86Å; K93-E156 PolarHBondContact NZ-OE2 2.79Å; V152-E156 WeakPolarHBondContact O-CB 3.01Å; V152-E156 PolarHBondContact O-N 2.87Å; E156-H159 PolarHBondContact O-N 2.73Å; E156-E160 HydrophobicContact CG-CG 4.33Å; E156-E160 WeakPolarHBondContact O-CB 3.27Å; E156-E160 VanDerWaalsContact O-CG 3.27Å; E156-E160 WeakPolarHBondContact O-CG 3.19Å; E156-E160 PolarHBondContact O-N 2.84Å; E156-Y307 HydrophobicContact CB-CD1 3.73Å; E156-Y307 HydrophobicContact CB-CD2 3.99Å; E156-Y307 HydrophobicContact CB-CE1 4.11Å; E156-Y307 HydrophobicContact CB-CE2 4.33Å; E156-Y307 HydrophobicContact CB-CG 3.66Å; E156-Y307 HydrophobicContact CG-CD1 4.22Å; E156-Y307 HydrophobicContact CG-CD2 3.5Å; E156-Y307 HydrophobicContact CG-CE2 3.88Å; E156-Y307 HydrophobicContact CG-CG 3.68Å
157Y98.8Very high98.1Very high2 Ų217.5 Ų17.51%0.0088%0.083CC..Hα-helixtrans-58.5-53.9178.3177.9-92.3000112.5A80 V86 W89 L98 I100 D153 V154 L155 H159 E160 N161A80-Y157 WeakPolarHBondContact O-CE1 3.35Å; A80-Y157 VanDerWaalsContact O-CZ 3.31Å; A80-Y157 PolarHBondContact O-OH 2.93Å; V86-Y157 HydrophobicContact CG2-CE1 4.24Å; V86-Y157 HydrophobicContact CG2-CE2 4.45Å; V86-Y157 VanDerWaalsContact CG2-OH 3.32Å; V86-Y157 WeakPolarHBondContact CG2-OH 2.99Å; V86-Y157 PolarHBondContact N-OH 3.2Å; W89-Y157 HydrophobicContact CB-CD2 3.68Å; W89-Y157 HydrophobicContact CB-CE2 3.56Å; W89-Y157 AromaticContact CD1-CD2 3.57Å; W89-Y157 AromaticContact CD2-CD2 3.56Å; W89-Y157 HydrophobicContact CD2-CD2 3.56Å; W89-Y157 HydrophobicContact CD2-CE2 4.24Å; W89-Y157 AromaticContact CE2-CD2 3.9Å; W89-Y157 HydrophobicContact CE3-CD2 4.16Å; W89-Y157 AromaticContact CG-CD2 3.33Å; W89-Y157 HydrophobicContact CG-CD2 3.33Å; W89-Y157 AromaticContact CG-CE2 3.79Å; W89-Y157 HydrophobicContact CG-CE2 3.79Å; W89-Y157 HydrophobicContact CG-CG 4.49Å; W89-Y157 AromaticContact NE1-CD2 3.87Å; L98-Y157 HydrophobicContact CD2-CD1 4.33Å; L98-Y157 HydrophobicContact CD2-CD2 3.77Å; L98-Y157 HydrophobicContact CD2-CE2 4.3Å; L98-Y157 HydrophobicContact CD2-CG 3.74Å; I100-Y157 HydrophobicContact CD1-CD1 3.03Å; I100-Y157 HydrophobicContact CD1-CE1 3.43Å; I100-Y157 VanDerWaalsContact CD1-CE1 3.43Å; I100-Y157 HydrophobicContact CD1-CG 3.75Å; D153-Y157 PolarHBondContact O-N 3.19Å; V154-Y157 WeakPolarHBondContact O-CB 3.44Å; V154-Y157 PolarHBondContact O-N 2.81Å; L155-Y157 VanDerWaalsContact C-N 3.28Å; L155-Y157 PolarHBondContact O-N 3.32Å; Y157-H159 VanDerWaalsContact C-N 3.31Å; Y157-H159 PolarHBondContact O-N 3.48Å; Y157-E160 PolarHBondContact O-N 3.27Å; Y157-N161 PolarHBondContact O-N 3.41Å; Y157-N161 VanDerWaalsContact O-N 3.17Å; Y157-N161 PolarHBondContact O-ND2 2.9Å
158I98.7Very high98.2Very high0 Ų017.5 Ų17.50%08%0.083CC..Hα-helixtrans-68-35.7-174.365.2175.1000111.1F76 I100 V154 L155 N161 E162 Y163 H165 Y188F76-I158 HydrophobicContact CE2-CB 4.18Å; F76-I158 HydrophobicContact CE2-CG2 3.64Å; F76-I158 HydrophobicContact CZ-CG2 3.72Å; I100-I158 HydrophobicContact CD1-CG2 4.09Å; V154-I158 PolarHBondContact O-N 3.38Å; L155-I158 HydrophobicContact CD2-CD1 3.85Å; L155-I158 HydrophobicContact CD2-CG1 4.43Å; L155-I158 WeakPolarHBondContact O-CG1 3.49Å; L155-I158 PolarHBondContact O-N 3.4Å; I158-N161 CarbonylContact O-C 3.58Å; I158-N161 VanDerWaalsContact O-C 3.27Å; I158-N161 WeakPolarHBondContact O-CA 3.2Å; I158-N161 PolarHBondContact O-N 3.45Å; I158-N161 VanDerWaalsContact O-N 3.09Å; I158-E162 PolarHBondContact O-N 2.8Å; I158-Y163 CarbonylContact C-O 3.48Å; I158-Y163 PolarHBondContact O-N 3.06Å; I158-H165 HydrophobicContact CD1-CB 3.86Å; I158-Y188 HydrophobicContact CG2-CE1 4.19Å
159H98.8Very high98.1Very high1 Ų119.4 Ų19.41%0.0059%0.091CC..Hα-helixtrans-64.8-45177.2-67.2176.3000111.3L155 E156 Y157 N161 E162 Y163 Y194 R230 D233 Y307L155-H159 WeakPolarHBondContact O-CB 3.5Å; L155-H159 PolarHBondContact O-CD2 3.33Å; L155-H159 VanDerWaalsContact O-CD2 3.32Å; L155-H159 PolarHBondContact O-N 3.27Å; L155-H159 PolarHBondContact O-ND1 2.93Å; E156-H159 PolarHBondContact O-N 2.73Å; Y157-H159 VanDerWaalsContact C-N 3.31Å; Y157-H159 PolarHBondContact O-N 3.48Å; H159-N161 PolarHBondContact O-N 3.38Å; H159-E162 PolarHBondContact O-N 3.24Å; H159-Y163 WeakPolarHBondContact CA-O 3.42Å; H159-Y163 PolarHBondContact CD2-O 3.3Å; H159-Y163 VanDerWaalsContact CD2-O 3.31Å; H159-Y163 PolarHBondContact N-O 3.21Å; H159-Y194 WeakPolarHBondContact O-CE1 3.42Å; H159-Y194 PolarHBondContact O-OH 3.18Å; H159-R230 HydrophobicContact CB-CG 3.99Å; H159-D233 IonicContact NE2-OD2 3.4Å; H159-D233 PolarHBondContact NE2-OD2 3.45Å; H159-Y307 WeakPolarHBondContact CB-OH 3.17Å; H159-Y307 AromaticContact ND1-CE1 3.53Å; H159-Y307 AromaticContact ND1-CZ 3.55Å; H159-Y307 PolarHBondContact ND1-OH 3.49Å
160E98.4Very high98.2Very high73 Ų7316.8 Ų16.834%0.3418%0.08SC..Hα-helixtrans-67.4-13.5175-66.6-63.3121.400113W89 E156 Y157 K304W89-E160 HydrophobicContact CH2-CB 4.08Å; W89-E160 HydrophobicContact CH2-CG 3.81Å; W89-E160 HydrophobicContact CZ3-CB 4.09Å; W89-E160 HydrophobicContact CZ3-CG 4.23Å; E156-E160 HydrophobicContact CG-CG 4.33Å; E156-E160 WeakPolarHBondContact O-CB 3.27Å; E156-E160 VanDerWaalsContact O-CG 3.27Å; E156-E160 WeakPolarHBondContact O-CG 3.19Å; E156-E160 PolarHBondContact O-N 2.84Å; Y157-E160 PolarHBondContact O-N 3.27Å; E160-K304 WeakPolarHBondContact OE1-CE 3.41Å; E160-K304 IonicContact OE1-NZ 3.96Å; E160-K304 PolarHBondContact OE1-NZ 3.16Å; E160-K304 IonicContact OE2-NZ 2.79Å; E160-K304 PolarHBondContact OE2-NZ 2.75Å
161N98.2Very high98.1Very high45 Ų4515.9 Ų15.924%0.2419%0.086CC..THydrogen-bonded Turntrans-102.722170.8-71.2-90.3000112.6A80 Y157 I158 H159 Y163A80-N161 HydrophobicContact CB-CB 3.73Å; Y157-N161 PolarHBondContact O-N 3.41Å; Y157-N161 VanDerWaalsContact O-N 3.17Å; Y157-N161 PolarHBondContact O-ND2 2.9Å; I158-N161 CarbonylContact O-C 3.58Å; I158-N161 VanDerWaalsContact O-C 3.27Å; I158-N161 WeakPolarHBondContact O-CA 3.2Å; I158-N161 PolarHBondContact O-N 3.45Å; I158-N161 VanDerWaalsContact O-N 3.09Å; H159-N161 PolarHBondContact O-N 3.38Å; N161-Y163 VanDerWaalsContact C-N 3.3Å; N161-Y163 VanDerWaalsContact O-CD2 3.23Å; N161-Y163 WeakPolarHBondContact O-CD2 3.43Å; N161-Y163 PolarHBondContact O-N 2.74Å
162E98.5Very high98.1Very high42 Ų4216.2 Ų16.220%0.1969%0.088CC..THydrogen-bonded Turntrans71.810.3172.7-46.1173.8149.200116I158 H159 R193 Y194 A195 D197 G198I158-E162 PolarHBondContact O-N 2.8Å; H159-E162 PolarHBondContact O-N 3.24Å; E162-R193 HydrophobicContact CB-CG 4.09Å; E162-R193 CarbonylContact O-C 3.58Å; E162-R193 WeakPolarHBondContact O-CA 3.46Å; E162-R193 IonicContact OE1-NH2 2.77Å; E162-R193 IonicContact OE2-CZ 2.75Å; E162-R193 IonicContact OE2-NE 3.83Å; E162-R193 PolarHBondContact OE2-NE 2.93Å; E162-R193 IonicContact OE2-NH2 3.07Å; E162-R193 PolarHBondContact OE2-NH2 2.91Å; E162-Y194 VanDerWaalsContact C-CE1 3.4Å; E162-Y194 WeakPolarHBondContact O-CD1 3.42Å; E162-Y194 PolarHBondContact O-N 2.94Å; E162-A195 HydrophobicContact CB-CB 4.46Å; E162-A195 WeakPolarHBondContact CB-O 3.43Å; E162-A195 WeakPolarHBondContact CG-O 3.18Å; E162-D197 WeakPolarHBondContact OE1-CA 3.45Å; E162-D197 PolarHBondContact OE1-N 3.27Å; E162-D197 PolarHBondContact OE2-N 3.23Å; E162-G198 PolarHBondContact OE1-N 3.38Å
163Y98.6Very high98Very high10 Ų1016.2 Ų16.24%0.0399%0.088CC..EExtended strand (participates in β ladder)trans-113.2147.1-178.8-80.1-93.4000112.1F76 R79 A80 I158 H159 N161 Y192 R193F76-Y163 HydrophobicContact CB-CD1 4.31Å; F76-Y163 HydrophobicContact CB-CE1 4.15Å; F76-Y163 HydrophobicContact CD2-CD1 4.01Å; F76-Y163 HydrophobicContact CD2-CD2 4.15Å; F76-Y163 AromaticContact CD2-CG 3.8Å; F76-Y163 HydrophobicContact CD2-CG 3.8Å; R79-Y163 HydrophobicContact CB-CE2 4.35Å; R79-Y163 WeakPolarHBondContact CD-OH 3.36Å; R79-Y163 PolarHBondContact NH1-OH 2.81Å; A80-Y163 HydrophobicContact CB-CD2 4.02Å; A80-Y163 HydrophobicContact CB-CE2 4.38Å; I158-Y163 CarbonylContact C-O 3.48Å; I158-Y163 PolarHBondContact O-N 3.06Å; H159-Y163 WeakPolarHBondContact CA-O 3.42Å; H159-Y163 PolarHBondContact CD2-O 3.3Å; H159-Y163 VanDerWaalsContact CD2-O 3.31Å; H159-Y163 PolarHBondContact N-O 3.21Å; N161-Y163 VanDerWaalsContact C-N 3.3Å; N161-Y163 VanDerWaalsContact O-CD2 3.23Å; N161-Y163 WeakPolarHBondContact O-CD2 3.43Å; N161-Y163 PolarHBondContact O-N 2.74Å; Y163-Y192 CarbonylContact C-O 3.59Å; Y163-Y192 WeakPolarHBondContact CA-O 3.46Å; Y163-R193 HydrophobicContact CD1-CB 4.24Å; Y163-R193 HydrophobicContact CD2-CG 4.45Å; Y163-R193 HydrophobicContact CE1-CB 3.86Å; Y163-R193 HydrophobicContact CE1-CG 4.48Å; Y163-R193 HydrophobicContact CE2-CB 4.32Å; Y163-R193 HydrophobicContact CE2-CG 4.04Å
164V98.6Very high98Very high0 Ų017.1 Ų17.10%09%0.092CC..EExtended strand (participates in β ladder)trans-117.3151.9162.9-650000109S191 Y192 Y194 P228 R230 D233V164-S191 CarbonylContact O-C 3.59Å; V164-S191 WeakPolarHBondContact O-CA 3.41Å; V164-S191 WeakPolarHBondContact O-CB 3.35Å; V164-Y192 HydrophobicContact CG2-CD1 4.42Å; V164-Y192 WeakPolarHBondContact CG2-O 3.47Å; V164-Y192 PolarHBondContact N-O 2.8Å; V164-Y192 PolarHBondContact O-N 3.32Å; V164-Y194 HydrophobicContact CG1-CD1 3.68Å; V164-Y194 HydrophobicContact CG1-CE1 4.29Å; V164-Y194 HydrophobicContact CG1-CG 4.04Å; V164-P228 HydrophobicContact CG2-CB 3.63Å; V164-R230 HydrophobicContact CG1-CG 4.47Å; V164-D233 WeakPolarHBondContact CA-OD2 3.47Å; V164-D233 WeakPolarHBondContact CB-OD2 3.44Å
165H98.4Very high97.9Very high0 Ų017.7 Ų17.70%09%0.094CC..  trans-79.9-43.3-178.6-169.4-86000112.6I158 D167 I168 L185 A186 D187 Y188 D233I158-H165 HydrophobicContact CD1-CB 3.86Å; H165-D167 PolarHBondContact CE1-O 3.12Å; H165-D167 VanDerWaalsContact CE1-O 3.28Å; H165-D167 PolarHBondContact ND1-N 2.88Å; H165-D167 PolarHBondContact ND1-O 3.39Å; H165-D167 PolarHBondContact O-N 3Å; H165-I168 HydrophobicContact CB-CG1 4.18Å; H165-I168 PolarHBondContact ND1-N 2.91Å; H165-L185 HydrophobicContact CB-CD2 4.22Å; H165-L185 VanDerWaalsContact CD2-CD2 3.47Å; H165-L185 WeakPolarHBondContact CD2-CD2 3.49Å; H165-A186 PolarHBondContact NE2-O 2.84Å; H165-D187 PolarHBondContact NE2-O 3.4Å; H165-Y188 AromaticContact CD2-CD1 3.62Å; H165-Y188 AromaticContact CD2-CE1 3.58Å; H165-D233 PolarHBondContact N-OD1 2.93Å; H165-D233 PolarHBondContact N-OD2 3.03Å
166A97.3Very high97.8Very high13 Ų1318 Ų1811%0.10710%0.098CC..SBendtrans63.1-5.4-179.900000117.3P228 D233A166-P228 HydrophobicContact CB-CB 3.85Å; A166-P228 HydrophobicContact CB-CG 3.83Å; A166-D233 VanDerWaalsContact CA-OD1 3.32Å; A166-D233 WeakPolarHBondContact CA-OD1 3.39Å; A166-D233 PolarHBondContact N-OD1 3.2Å
167D96.8Very high97.6Very high11 Ų1120.3 Ų20.36%0.05911%0.106CC..  trans-141.547.8-179.9-162.240.7000113.7H165 K169 N172 L190 T214H165-D167 PolarHBondContact CE1-O 3.12Å; H165-D167 VanDerWaalsContact CE1-O 3.28Å; H165-D167 PolarHBondContact ND1-N 2.88Å; H165-D167 PolarHBondContact ND1-O 3.39Å; H165-D167 PolarHBondContact O-N 3Å; D167-K169 PolarHBondContact O-N 3.21Å; D167-K169 IonicContact OD1-NZ 3.21Å; D167-K169 PolarHBondContact OD1-NZ 3.43Å; D167-K169 WeakPolarHBondContact OD2-CE 3.38Å; D167-K169 IonicContact OD2-NZ 2.84Å; D167-K169 PolarHBondContact OD2-NZ 2.97Å; D167-N172 PolarHBondContact O-ND2 2.84Å; D167-N172 PolarHBondContact OD2-ND2 2.96Å; D167-L190 HydrophobicContact CB-CB 4.22Å; D167-L190 HydrophobicContact CB-CD1 3.79Å; D167-T214 WeakPolarHBondContact OD1-CB 3.3Å; D167-T214 PolarHBondContact OD1-N 3.37Å; D167-T214 PolarHBondContact OD1-OG1 3.36Å
168I98.5Very high97.4Very high0 Ų027.5 Ų27.50%013%0.134CC..  trans-68.7126.9175.4-52.1162.1000108.3L155 H165 D233 I236 L237 C240L155-I168 HydrophobicContact CD1-CD1 3.89Å; L155-I168 HydrophobicContact CD2-CD1 3.75Å; L155-I168 HydrophobicContact CG-CD1 4.33Å; H165-I168 HydrophobicContact CB-CG1 4.18Å; H165-I168 PolarHBondContact ND1-N 2.91Å; I168-D233 HydrophobicContact CD1-CB 4.22Å; I168-D233 WeakPolarHBondContact CD1-O 3.45Å; I168-I236 HydrophobicContact CB-CG2 3.82Å; I168-I236 HydrophobicContact CG1-CG2 4.46Å; I168-I236 VanDerWaalsContact O-CG2 3.27Å; I168-I236 WeakPolarHBondContact O-CG2 3.37Å; I168-L237 HydrophobicContact CD1-CB 4.21Å; I168-C240 PolarHBondContact O-SG 3.26Å
169K97.2Very high97.1Very high39 Ų3930.4 Ų30.417%0.1715%0.149CC..  trans-167.4162.817764.9-160.8-174.1-1590110.1D167 A171 N172 L173 T214 Y217D167-K169 PolarHBondContact O-N 3.21Å; D167-K169 IonicContact OD1-NZ 3.21Å; D167-K169 PolarHBondContact OD1-NZ 3.43Å; D167-K169 WeakPolarHBondContact OD2-CE 3.38Å; D167-K169 IonicContact OD2-NZ 2.84Å; D167-K169 PolarHBondContact OD2-NZ 2.97Å; K169-A171 HydrophobicContact CG-CB 4.26Å; K169-A171 PolarHBondContact O-N 3.4Å; K169-A171 VanDerWaalsContact O-N 3.16Å; K169-N172 WeakPolarHBondContact CE-ND2 3.31Å; K169-N172 HydrophobicContact CG-CB 4.1Å; K169-N172 PolarHBondContact O-N 2.91Å; K169-L173 PolarHBondContact O-N 3.16Å; K169-T214 HydrophobicContact CD-CG2 4.1Å; K169-T214 VanDerWaalsContact CD-OG1 3.23Å; K169-T214 WeakPolarHBondContact CD-OG1 3.42Å; K169-T214 PolarHBondContact NZ-OG1 3.07Å; K169-Y217 HydrophobicContact CB-CD2 3.89Å; K169-Y217 HydrophobicContact CB-CE2 3.9Å
170A96.7Very high96.7Very high0 Ų033.7 Ų33.70%017%0.172CC..G310 helixtrans-57.8-33.3-177.300000113.7L128 Q129 N172 L173 W244L128-A170 HydrophobicContact CB-CB 4.16Å; L128-A170 WeakPolarHBondContact CB-O 3.31Å; L128-A170 HydrophobicContact CD2-CB 4.42Å; L128-A170 HydrophobicContact CG-CB 4.44Å; L128-A170 PolarHBondContact N-O 3.44Å; Q129-A170 HydrophobicContact CB-CB 3.95Å; Q129-A170 PolarHBondContact N-O 3.39Å; A170-N172 PolarHBondContact O-N 2.98Å; A170-L173 PolarHBondContact O-N 3.47Å; A170-W244 HydrophobicContact CB-CZ2 4.2Å
171A95.6Very high96.2Very high45 Ų4533.5 Ų33.537%0.37217%0.173SC..G310 helixtrans-68.6-20176.900000114Q129 K169Q129-A171 HydrophobicContact CB-CB 4.21Å; K169-A171 HydrophobicContact CG-CB 4.26Å; K169-A171 PolarHBondContact O-N 3.4Å; K169-A171 VanDerWaalsContact O-N 3.16Å
172N97Very high96Very high12 Ų1234 Ų346%0.06417%0.174CC..G310 helixtrans-100.61.5176.5-71.1-5.5000111.9D167 K169 A170 A186D167-N172 PolarHBondContact O-ND2 2.84Å; D167-N172 PolarHBondContact OD2-ND2 2.96Å; K169-N172 WeakPolarHBondContact CE-ND2 3.31Å; K169-N172 HydrophobicContact CG-CB 4.1Å; K169-N172 PolarHBondContact O-N 2.91Å; A170-N172 PolarHBondContact O-N 2.98Å; N172-A186 WeakPolarHBondContact CB-O 3.48Å; N172-A186 PolarHBondContact O-N 3.5Å
173L97.8Very high96Very high0 Ų032.3 Ų32.30%017%0.167CC..EExtended strand (participates in β ladder)trans-101.6116.4173.7-64.1-176.6000109.2D127 L128 L151 K169 A170 V183 Y184 L185 W244D127-L173 CarbonylContact C-O 3.59Å; D127-L173 VanDerWaalsContact CA-O 3.24Å; D127-L173 WeakPolarHBondContact CA-O 3.48Å; L128-L173 HydrophobicContact CB-CB 3.84Å; L128-L173 HydrophobicContact CD2-CB 4.25Å; L128-L173 HydrophobicContact CD2-CD1 3.72Å; L128-L173 PolarHBondContact N-O 2.76Å; L151-L173 HydrophobicContact CD1-CD1 3.8Å; L151-L173 HydrophobicContact CD1-CD2 4.37Å; L151-L173 HydrophobicContact CD2-CD1 4.37Å; L151-L173 HydrophobicContact CD2-CD2 3.48Å; L151-L173 VanDerWaalsContact CD2-CD2 3.48Å; K169-L173 PolarHBondContact O-N 3.16Å; A170-L173 PolarHBondContact O-N 3.47Å; L173-V183 HydrophobicContact CB-CG1 4.13Å; L173-V183 HydrophobicContact CD2-CG1 4.5Å; L173-Y184 CarbonylContact C-O 3.39Å; L173-Y184 WeakPolarHBondContact CA-O 3.4Å; L173-L185 HydrophobicContact CD2-CB 4.18Å; L173-L185 HydrophobicContact CD2-CD1 3.63Å; L173-W244 HydrophobicContact CD1-CH2 3.36Å; L173-W244 HydrophobicContact CD1-CZ2 3.86Å; L173-W244 HydrophobicContact CD1-CZ3 4.16Å
174M97.1Very high95.9Very high40 Ų4033.2 Ų33.220%0.19717%0.17CC..EExtended strand (participates in β ladder)trans-112.9135.2-173.6-56.6-65-69.200110L124 G125 D127 V183 Y184 A186L124-M174 HydrophobicContact CB-CB 3.74Å; L124-M174 HydrophobicContact CB-CE 4.25Å; L124-M174 HydrophobicContact CB-CG 4.38Å; L124-M174 HydrophobicContact CD1-CB 3.62Å; L124-M174 HydrophobicContact CD1-CG 3.89Å; L124-M174 HydrophobicContact CG-CB 4.24Å; G125-M174 WeakPolarHBondContact O-CE 3.44Å; D127-M174 HydrophobicContact CB-SD 3.68Å; M174-V183 WeakPolarHBondContact O-CA 3.34Å; M174-Y184 PolarHBondContact N-O 2.97Å; M174-Y184 PolarHBondContact O-N 2.73Å; M174-A186 HydrophobicContact CG-CB 3.76Å
175L96.6Very high95.9Very high13 Ų1333.3 Ų33.37%0.06817%0.171CC..EExtended strand (participates in β ladder)trans-70.9154.6170.5-55-171.9000110.3G125 C126 V131 Q182 V183 L324G125-L175 WeakPolarHBondContact CA-O 3.19Å; G125-L175 PolarHBondContact N-O 3.09Å; C126-L175 PolarHBondContact O-N 3Å; V131-L175 HydrophobicContact CG2-CD1 4.16Å; L175-Q182 CarbonylContact C-O 3.48Å; L175-Q182 WeakPolarHBondContact CA-O 3.46Å; L175-V183 HydrophobicContact CD2-CG2 3.84Å; L175-L324 HydrophobicContact CD1-CD1 3.7Å; L175-L324 HydrophobicContact CD2-CD1 3.61Å; L175-L324 HydrophobicContact CG-CD1 4.33Å
176G96.4Very high95.8Very high8 Ų833.9 Ų33.98%0.08218%0.176CC..EExtended strand (participates in β ladder)trans-64.5141.4171.300000110.9R178 D179 Q182G176-R178 VanDerWaalsContact C-N 3.33Å; G176-R178 PolarHBondContact O-N 3.49Å; G176-D179 CarbonylContact C-O 3.54Å; G176-D179 WeakPolarHBondContact CA-O 3.32Å; G176-D179 PolarHBondContact N-O 3.29Å; G176-Q182 PolarHBondContact N-O 3.43Å
177Y95.6Very high95.6Very high73 Ų7336 Ų3629%0.28619%0.185SC..SBendtrans-66.8-36.6-179.4177.8-121.8000112.5D55 R123D55-Y177 WeakPolarHBondContact CA-OH 3.42Å; R123-Y177 HydrophobicContact CG-CD1 4.3Å; R123-Y177 HydrophobicContact CG-CD2 4.29Å; R123-Y177 HydrophobicContact CG-CG 4.04Å; R123-Y177 VanDerWaalsContact CZ-CZ 3.41Å; R123-Y177 PolarHBondContact NH1-OH 2.97Å; R123-Y177 WeakPolarHBondContact O-CB 3.28Å
178R94.4Very high95.5Very high153 Ų15335.5 Ų35.558%0.57718%0.183SC*.SBendtrans-99.2-18.5179-58-61.7-171.8173.81.9113.7D55 D57 G176D55-R178 PolarHBondContact O-NH2 2.95Å; D57-R178 IonicContact OD1-CZ 2.66Å; D57-R178 VanDerWaalsContact OD1-CZ 3.26Å; D57-R178 IonicContact OD1-NE 2.62Å; D57-R178 PolarHBondContact OD1-NE 3.42Å; D57-R178 IonicContact OD1-NH2 2.9Å; D57-R178 PolarHBondContact OD1-NH2 3.47Å; D57-R178 IonicContact OD2-NH2 3.54Å; G176-R178 VanDerWaalsContact C-N 3.33Å; G176-R178 PolarHBondContact O-N 3.49Å
179D92.9Very high95.3Very high60 Ų6035.8 Ų35.832%0.32119%0.186SC..  trans-141.9103.7-175.7-178-2.5000109.2G176 D181 Q182G176-D179 CarbonylContact C-O 3.54Å; G176-D179 WeakPolarHBondContact CA-O 3.32Å; G176-D179 PolarHBondContact N-O 3.29Å; D179-D181 PolarHBondContact O-N 3.49Å; D179-D181 WeakPolarHBondContact OD1-CB 3.43Å; D179-D181 PolarHBondContact OD1-N 3.32Å; D179-Q182 HydrophobicContact CB-CG 4.28Å; D179-Q182 PolarHBondContact O-N 2.98Å; D179-Q182 WeakPolarHBondContact OD2-CG 3.23Å; D179-Q182 PolarHBondContact OD2-NE2 3.24Å
180S89.5Confident95Very high71 Ų7138.3 Ų38.350%0.49720%0.2SC..THydrogen-bonded Turntrans-72-14.1-179.253.90000113.5Q182S180-Q182 PolarHBondContact O-N 2.66Å
181D89.2Confident95Very high68 Ų6838.9 Ų38.936%0.36420%0.204SC..THydrogen-bonded Turntrans-75.9-13.1172.7-76.9-36.4000111.6R150 D179 L322R150-D181 VanDerWaalsContact CZ-O 3.24Å; R150-D181 PolarHBondContact NH1-O 2.92Å; R150-D181 PolarHBondContact NH2-O 3.49Å; R150-D181 VanDerWaalsContact NH2-O 3.14Å; D179-D181 PolarHBondContact O-N 3.49Å; D179-D181 WeakPolarHBondContact OD1-CB 3.43Å; D179-D181 PolarHBondContact OD1-N 3.32Å; D181-L322 PolarHBondContact OD1-N 3.08Å
182Q93.9Very high95Very high56 Ų5640.5 Ų40.526%0.26220%0.201SC..  trans-92125.9175.4-70.4179.130.200110.3F97 L175 G176 D179 S180 Y184F97-Q182 HydrophobicContact CD2-CB 4.19Å; F97-Q182 HydrophobicContact CD2-CG 3.7Å; F97-Q182 HydrophobicContact CE1-CB 4.29Å; F97-Q182 HydrophobicContact CE2-CB 3.62Å; F97-Q182 HydrophobicContact CE2-CG 3.66Å; F97-Q182 HydrophobicContact CG-CG 4.17Å; F97-Q182 HydrophobicContact CZ-CB 3.66Å; F97-Q182 HydrophobicContact CZ-CG 4.07Å; L175-Q182 CarbonylContact C-O 3.48Å; L175-Q182 WeakPolarHBondContact CA-O 3.46Å; G176-Q182 PolarHBondContact N-O 3.43Å; D179-Q182 HydrophobicContact CB-CG 4.28Å; D179-Q182 PolarHBondContact O-N 2.98Å; D179-Q182 WeakPolarHBondContact OD2-CG 3.23Å; D179-Q182 PolarHBondContact OD2-NE2 3.24Å; S180-Q182 PolarHBondContact O-N 2.66Å; Q182-Y184 HydrophobicContact CB-CE2 3.78Å; Q182-Y184 PolarHBondContact OE1-OH 3.34Å
183V96.9Very high95Very high6 Ų642.7 Ų42.74%0.03621%0.209CC..EExtended strand (participates in β ladder)trans-116.9127.7179.51800000108.9F97 G99 L147 L173 M174 L175 L322F97-V183 VanDerWaalsContact CE1-O 3.28Å; F97-V183 WeakPolarHBondContact CE1-O 3.47Å; F97-V183 WeakPolarHBondContact CZ-O 3.11Å; G99-V183 VanDerWaalsContact CA-O 3.31Å; G99-V183 WeakPolarHBondContact CA-O 3.38Å; L147-V183 HydrophobicContact CD2-CB 4.3Å; L147-V183 HydrophobicContact CD2-CG1 4.12Å; L147-V183 HydrophobicContact CD2-CG2 3.88Å; L173-V183 HydrophobicContact CB-CG1 4.13Å; L173-V183 HydrophobicContact CD2-CG1 4.5Å; M174-V183 WeakPolarHBondContact O-CA 3.34Å; L175-V183 HydrophobicContact CD2-CG2 3.84Å; V183-L322 HydrophobicContact CB-CD1 4.5Å; V183-L322 HydrophobicContact CG2-CD1 3.36Å
184Y98.2Very high95.1Very high29 Ų2943.1 Ų43.111%0.11421%0.21CC..EExtended strand (participates in β ladder)trans-112.2134.7-177.2-63.2-99.8000109.9F97 G99 P101 L124 L173 M174 Q182F97-Y184 HydrophobicContact CE2-CD1 4.45Å; F97-Y184 AromaticContact CE2-CE1 3.79Å; F97-Y184 HydrophobicContact CE2-CE1 3.79Å; F97-Y184 HydrophobicContact CE2-CE2 4.01Å; F97-Y184 AromaticContact CE2-CZ 3.56Å; F97-Y184 HydrophobicContact CZ-CD1 4.21Å; F97-Y184 HydrophobicContact CZ-CD2 4.2Å; F97-Y184 AromaticContact CZ-CE1 4Å; F97-Y184 HydrophobicContact CZ-CE1 4Å; F97-Y184 AromaticContact CZ-CE2 3.96Å; F97-Y184 HydrophobicContact CZ-CE2 3.96Å; F97-Y184 HydrophobicContact CZ-CG 4.34Å; F97-Y184 AromaticContact CZ-CZ 3.88Å; G99-Y184 WeakPolarHBondContact O-CA 3.28Å; P101-Y184 HydrophobicContact CG-CD1 4.38Å; L124-Y184 HydrophobicContact CD1-CG 4.5Å; L124-Y184 HydrophobicContact CD2-CD1 4.21Å; L124-Y184 HydrophobicContact CD2-CD2 3.67Å; L124-Y184 HydrophobicContact CD2-CE1 4.44Å; L124-Y184 HydrophobicContact CD2-CE2 3.95Å; L124-Y184 HydrophobicContact CD2-CG 3.79Å; L173-Y184 CarbonylContact C-O 3.39Å; L173-Y184 WeakPolarHBondContact CA-O 3.4Å; M174-Y184 PolarHBondContact N-O 2.97Å; M174-Y184 PolarHBondContact O-N 2.73Å; Q182-Y184 HydrophobicContact CB-CE2 3.78Å; Q182-Y184 PolarHBondContact OE1-OH 3.34Å
185L98.4Very high95.1Very high2 Ų241.6 Ų41.61%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-82.7115.2165.2-178.160.3000108.1G99 P101 L151 V154 H165 L173 Y188G99-L185 PolarHBondContact O-N 3.28Å; P101-L185 WeakPolarHBondContact CD-O 3.42Å; L151-L185 HydrophobicContact CD2-CB 4.49Å; V154-L185 HydrophobicContact CG1-CB 4.02Å; V154-L185 HydrophobicContact CG1-CD2 3.8Å; H165-L185 HydrophobicContact CB-CD2 4.22Å; H165-L185 VanDerWaalsContact CD2-CD2 3.47Å; H165-L185 WeakPolarHBondContact CD2-CD2 3.49Å; L173-L185 HydrophobicContact CD2-CB 4.18Å; L173-L185 HydrophobicContact CD2-CD1 3.63Å; L185-Y188 VanDerWaalsContact O-CE2 3.3Å; L185-Y188 WeakPolarHBondContact O-CE2 3.47Å; L185-Y188 PolarHBondContact O-OH 2.77Å
186A95.4Very high95.1Very high12 Ų1242 Ų4210%0.09921%0.208CC..  trans-114.3173.9-179.300000110.9P101 L124 H165 N172 M174P101-A186 HydrophobicContact CG-CB 4.32Å; L124-A186 HydrophobicContact CD1-CB 4.27Å; H165-A186 PolarHBondContact NE2-O 2.84Å; N172-A186 WeakPolarHBondContact CB-O 3.48Å; N172-A186 PolarHBondContact O-N 3.5Å; M174-A186 HydrophobicContact CG-CB 3.76Å
187D93.3Very high95.1Very high59 Ų5947.8 Ų47.832%0.31624%0.237SC..  trans61.976.7-178.8-160.8-5000114.7K61 H165 G189K61-D187 IonicContact NZ-OD1 2.77Å; H165-D187 PolarHBondContact NE2-O 3.4Å; D187-G189 PolarHBondContact O-N 2.96Å; D187-G189 PolarHBondContact OD1-N 3.35Å; D187-G189 VanDerWaalsContact OD1-N 3.09Å
188Y95.6Very high95.1Very high0 Ų047.3 Ų47.30%025%0.254CS..G310 helixtrans-8522.1173.3-62.9-95.4000112.3E73 F76 Y77 I158 H165 L185 L190 S191E73-Y188 PolarHBondContact OE1-N 3.27Å; F76-Y188 AromaticContact CD1-CD1 3.59Å; F76-Y188 HydrophobicContact CD1-CD1 3.59Å; F76-Y188 AromaticContact CD1-CD2 3.69Å; F76-Y188 HydrophobicContact CD1-CD2 3.69Å; F76-Y188 HydrophobicContact CD1-CE1 4.06Å; F76-Y188 HydrophobicContact CD1-CE2 4.14Å; F76-Y188 AromaticContact CD1-CG 3.38Å; F76-Y188 HydrophobicContact CD1-CG 3.38Å; F76-Y188 HydrophobicContact CD2-CD1 4.05Å; F76-Y188 HydrophobicContact CD2-CE1 4.43Å; F76-Y188 AromaticContact CE1-CD1 3.48Å; F76-Y188 HydrophobicContact CE1-CD1 3.48Å; F76-Y188 VanDerWaalsContact CE1-CD1 3.48Å; F76-Y188 AromaticContact CE1-CD2 3.55Å; F76-Y188 HydrophobicContact CE1-CD2 3.55Å; F76-Y188 AromaticContact CE1-CE1 3.44Å; F76-Y188 HydrophobicContact CE1-CE1 3.44Å; F76-Y188 VanDerWaalsContact CE1-CE1 3.44Å; F76-Y188 AromaticContact CE1-CE2 3.51Å; F76-Y188 HydrophobicContact CE1-CE2 3.51Å; F76-Y188 AromaticContact CE1-CG 3.54Å; F76-Y188 HydrophobicContact CE1-CG 3.54Å; F76-Y188 AromaticContact CE1-CZ 3.45Å; F76-Y188 VanDerWaalsContact CE1-CZ 3.45Å; F76-Y188 AromaticContact CE2-CD1 3.95Å; F76-Y188 HydrophobicContact CE2-CD1 3.95Å; F76-Y188 AromaticContact CE2-CE1 3.86Å; F76-Y188 HydrophobicContact CE2-CE1 3.86Å; F76-Y188 AromaticContact CG-CD1 3.87Å; F76-Y188 HydrophobicContact CG-CD1 3.87Å; F76-Y188 AromaticContact CG-CG 3.96Å; F76-Y188 HydrophobicContact CG-CG 3.96Å; F76-Y188 AromaticContact CZ-CD1 3.67Å; F76-Y188 HydrophobicContact CZ-CD1 3.67Å; F76-Y188 HydrophobicContact CZ-CD2 4.44Å; F76-Y188 AromaticContact CZ-CE1 3.32Å; F76-Y188 HydrophobicContact CZ-CE1 3.32Å; F76-Y188 HydrophobicContact CZ-CE2 4.15Å; F76-Y188 HydrophobicContact CZ-CG 4.22Å; F76-Y188 AromaticContact CZ-CZ 3.59Å; Y77-Y188 HydrophobicContact CE2-CD2 4.01Å; Y77-Y188 AromaticContact CZ-CD2 3.82Å; I158-Y188 HydrophobicContact CG2-CE1 4.19Å; H165-Y188 AromaticContact CD2-CD1 3.62Å; H165-Y188 AromaticContact CD2-CE1 3.58Å; L185-Y188 VanDerWaalsContact O-CE2 3.3Å; L185-Y188 WeakPolarHBondContact O-CE2 3.47Å; L185-Y188 PolarHBondContact O-OH 2.77Å; Y188-L190 VanDerWaalsContact C-N 3.25Å; Y188-L190 PolarHBondContact O-N 2.76Å; Y188-S191 VanDerWaalsContact O-CB 3.26Å; Y188-S191 WeakPolarHBondContact O-CB 3.44Å; Y188-S191 PolarHBondContact O-N 3.11Å; Y188-S191 VanDerWaalsContact O-N 3.08Å; Y188-S191 PolarHBondContact O-OG 3Å
189G92.8Very high95.2Very high6 Ų644.9 Ų44.96%0.06226%0.256CS..G310 helixtrans-64.1-28-17800000114D187D187-G189 PolarHBondContact O-N 2.96Å; D187-G189 PolarHBondContact OD1-N 3.35Å; D187-G189 VanDerWaalsContact OD1-N 3.09Å
190L92.1Very high95.5Very high91 Ų9144 Ų4448%0.47625%0.25SC..G310 helixtrans-99.73174.2-65.5-177.5000113.7D167 Y188D167-L190 HydrophobicContact CB-CB 4.22Å; D167-L190 HydrophobicContact CB-CD1 3.79Å; Y188-L190 VanDerWaalsContact C-N 3.25Å; Y188-L190 PolarHBondContact O-N 2.76Å
191S95.9Very high95.9Very high12 Ų1244.6 Ų44.68%0.08424%0.244CC..  trans-59.4148179.767.90000111.9V164 Y188V164-S191 CarbonylContact O-C 3.59Å; V164-S191 WeakPolarHBondContact O-CA 3.41Å; V164-S191 WeakPolarHBondContact O-CB 3.35Å; Y188-S191 VanDerWaalsContact O-CB 3.26Å; Y188-S191 WeakPolarHBondContact O-CB 3.44Å; Y188-S191 PolarHBondContact O-N 3.11Å; Y188-S191 VanDerWaalsContact O-N 3.08Å; Y188-S191 PolarHBondContact O-OG 3Å
192Y96.4Very high96.2Very high79 Ų7949.3 Ų49.331%0.3126%0.264SS..EExtended strand (participates in β ladder)trans-132.8130.8-175.1-177-104.6000110.8Y163 V164 Y194 K201 A227 P228Y163-Y192 CarbonylContact C-O 3.59Å; Y163-Y192 WeakPolarHBondContact CA-O 3.46Å; V164-Y192 HydrophobicContact CG2-CD1 4.42Å; V164-Y192 WeakPolarHBondContact CG2-O 3.47Å; V164-Y192 PolarHBondContact N-O 2.8Å; V164-Y192 PolarHBondContact O-N 3.32Å; Y192-Y194 PolarHBondContact O-N 2.78Å; Y192-Y194 VanDerWaalsContact O-N 3.11Å; Y192-K201 HydrophobicContact CE1-CG 4.1Å; Y192-A227 HydrophobicContact CD1-CB 4.49Å; Y192-A227 HydrophobicContact CE1-CB 3.69Å; Y192-P228 WeakPolarHBondContact CD1-O 3.27Å
193R97.6Very high96.4Very high58 Ų5851.4 Ų51.422%0.21927%0.27CS..EExtended strand (participates in β ladder)trans-80.190.6174.6-166.8178.8-179.2-148.94.7108.5E162 Y163 P196 D197E162-R193 HydrophobicContact CB-CG 4.09Å; E162-R193 CarbonylContact O-C 3.58Å; E162-R193 WeakPolarHBondContact O-CA 3.46Å; E162-R193 IonicContact OE1-NH2 2.77Å; E162-R193 IonicContact OE2-CZ 2.75Å; E162-R193 IonicContact OE2-NE 3.83Å; E162-R193 PolarHBondContact OE2-NE 2.93Å; E162-R193 IonicContact OE2-NH2 3.07Å; E162-R193 PolarHBondContact OE2-NH2 2.91Å; Y163-R193 HydrophobicContact CD1-CB 4.24Å; Y163-R193 HydrophobicContact CD2-CG 4.45Å; Y163-R193 HydrophobicContact CE1-CB 3.86Å; Y163-R193 HydrophobicContact CE1-CG 4.48Å; Y163-R193 HydrophobicContact CE2-CB 4.32Å; Y163-R193 HydrophobicContact CE2-CG 4.04Å; R193-P196 HydrophobicContact CG-CB 4.13Å; R193-D197 IonicContact CZ-OD1 3.65Å; R193-D197 IonicContact NH1-OD1 3.66Å; R193-D197 IonicContact NH1-OD2 3.77Å; R193-D197 IonicContact NH2-OD1 2.71Å; R193-D197 PolarHBondContact NH2-OD1 3.31Å
194Y98.1Very high96.4Very high9 Ų958.8 Ų58.84%0.03530%0.301CS..SBendtrans-78.5-22.8-170.882.4-81.7000113.5H159 E162 V164 Y192 H200 K201 P228 R230H159-Y194 WeakPolarHBondContact O-CE1 3.42Å; H159-Y194 PolarHBondContact O-OH 3.18Å; E162-Y194 VanDerWaalsContact C-CE1 3.4Å; E162-Y194 WeakPolarHBondContact O-CD1 3.42Å; E162-Y194 PolarHBondContact O-N 2.94Å; V164-Y194 HydrophobicContact CG1-CD1 3.68Å; V164-Y194 HydrophobicContact CG1-CE1 4.29Å; V164-Y194 HydrophobicContact CG1-CG 4.04Å; Y192-Y194 PolarHBondContact O-N 2.78Å; Y192-Y194 VanDerWaalsContact O-N 3.11Å; Y194-H200 AromaticContact CD2-CD2 3.49Å; Y194-H200 VanDerWaalsContact CD2-CD2 3.49Å; Y194-H200 WeakPolarHBondContact CD2-CD2 3.31Å; Y194-H200 AromaticContact CD2-NE2 3.27Å; Y194-H200 VanDerWaalsContact CD2-NE2 3.27Å; Y194-H200 WeakPolarHBondContact CD2-NE2 3.32Å; Y194-H200 AromaticContact CE2-CD2 3.39Å; Y194-H200 WeakPolarHBondContact CE2-CD2 3.43Å; Y194-H200 AromaticContact CE2-NE2 3.46Å; Y194-H200 WeakPolarHBondContact CE2-NE2 3.3Å; Y194-K201 VanDerWaalsContact O-CG 3.25Å; Y194-K201 WeakPolarHBondContact O-CG 3.5Å; Y194-K201 PolarHBondContact O-N 3.2Å; Y194-P228 WeakPolarHBondContact CB-O 3.32Å; Y194-R230 HydrophobicContact CD2-CG 4.46Å; Y194-R230 HydrophobicContact CE1-CG 4.11Å; Y194-R230 HydrophobicContact CE2-CG 3.81Å; Y194-R230 VanDerWaalsContact OH-CD 3.28Å; Y194-R230 WeakPolarHBondContact OH-CD 3.4Å; Y194-R230 PolarHBondContact OH-NH1 3.45Å; Y194-R230 VanDerWaalsContact OH-NH1 3.14Å
195A97.7Very high96.3Very high8 Ų862.3 Ų62.37%0.06632%0.319CS..SBendtrans-13459.6-179.700000112E162 D197 G198 V199E162-A195 HydrophobicContact CB-CB 4.46Å; E162-A195 WeakPolarHBondContact CB-O 3.43Å; E162-A195 WeakPolarHBondContact CG-O 3.18Å; A195-D197 PolarHBondContact O-N 3.41Å; A195-G198 PolarHBondContact O-N 3.32Å; A195-G198 VanDerWaalsContact O-N 3.13Å; A195-V199 CarbonylContact C-O 3.52Å; A195-V199 VanDerWaalsContact CA-O 3.28Å; A195-V199 WeakPolarHBondContact CA-O 3.23Å
196P97.1Very high95.9Very high22 Ų2265 Ų6514%0.14333%0.333CS..G310 helixtrans-59125.8-177.126.6-35.4000111.5R193 G198 V199R193-P196 HydrophobicContact CG-CB 4.13Å; P196-G198 PolarHBondContact O-N 3.31Å; P196-V199 VanDerWaalsContact CD-O 3.31Å; P196-V199 WeakPolarHBondContact CD-O 3.25Å; P196-V199 PolarHBondContact O-N 2.96Å; P196-V199 VanDerWaalsContact O-N 3.13Å
197D96.4Very high95.6Very high129 Ų12969.4 Ų69.469%0.6936%0.361SS*.G310 helixtrans59.437.3178.8-44.9-51.8000111.3E162 R193 A195 V199E162-D197 WeakPolarHBondContact OE1-CA 3.45Å; E162-D197 PolarHBondContact OE1-N 3.27Å; E162-D197 PolarHBondContact OE2-N 3.23Å; R193-D197 IonicContact CZ-OD1 3.65Å; R193-D197 IonicContact NH1-OD1 3.66Å; R193-D197 IonicContact NH1-OD2 3.77Å; R193-D197 IonicContact NH2-OD1 2.71Å; R193-D197 PolarHBondContact NH2-OD1 3.31Å; A195-D197 PolarHBondContact O-N 3.41Å; D197-V199 PolarHBondContact O-N 2.85Å
198G95.3Very high95.2Very high64 Ų6475 Ų7566%0.6638%0.383SS*.G310 helixtrans75.8-3.3-177.400000115.7E162 A195 P196 H200E162-G198 PolarHBondContact OE1-N 3.38Å; A195-G198 PolarHBondContact O-N 3.32Å; A195-G198 VanDerWaalsContact O-N 3.13Å; P196-G198 PolarHBondContact O-N 3.31Å; G198-H200 PolarHBondContact O-N 2.89Å
199V97.4Very high94.6Very high102 Ų10280.9 Ų80.962%0.61841%0.408SS*.  trans-92.8104.4-177.3-176.30000110.4A195 P196 D197 K201A195-V199 CarbonylContact C-O 3.52Å; A195-V199 VanDerWaalsContact CA-O 3.28Å; A195-V199 WeakPolarHBondContact CA-O 3.23Å; P196-V199 VanDerWaalsContact CD-O 3.31Å; P196-V199 WeakPolarHBondContact CD-O 3.25Å; P196-V199 PolarHBondContact O-N 2.96Å; P196-V199 VanDerWaalsContact O-N 3.13Å; D197-V199 PolarHBondContact O-N 2.85Å; V199-K201 PolarHBondContact O-N 2.82Å
200H98.3Very high94.1Very high40 Ų4082.1 Ų82.119%0.18542%0.415CS..PPolyproline II helixtrans-58.8136.7176.9-158.2-74.3000111.1Y194 G198 Y301Y194-H200 AromaticContact CD2-CD2 3.49Å; Y194-H200 VanDerWaalsContact CD2-CD2 3.49Å; Y194-H200 WeakPolarHBondContact CD2-CD2 3.31Å; Y194-H200 AromaticContact CD2-NE2 3.27Å; Y194-H200 VanDerWaalsContact CD2-NE2 3.27Å; Y194-H200 WeakPolarHBondContact CD2-NE2 3.32Å; Y194-H200 AromaticContact CE2-CD2 3.39Å; Y194-H200 WeakPolarHBondContact CE2-CD2 3.43Å; Y194-H200 AromaticContact CE2-NE2 3.46Å; Y194-H200 WeakPolarHBondContact CE2-NE2 3.3Å; G198-H200 PolarHBondContact O-N 2.89Å; H200-Y301 AromaticContact CE1-CD1 3.95Å; H200-Y301 AromaticContact CE1-CE1 3.76Å; H200-Y301 PolarHBondContact CE1-O 3.31Å
201K97.2Very high93.8Very high85 Ų8580.6 Ų80.637%0.3741%0.406SS..PPolyproline II helixtrans-66.1139.4172.1-67.8-67.2176.9-159.70109.9Y192 Y194 V199 Y301Y192-K201 HydrophobicContact CE1-CG 4.1Å; Y194-K201 VanDerWaalsContact O-CG 3.25Å; Y194-K201 WeakPolarHBondContact O-CG 3.5Å; Y194-K201 PolarHBondContact O-N 3.2Å; V199-K201 PolarHBondContact O-N 2.82Å; K201-Y301 VanDerWaalsContact O-CE1 3.23Å; K201-Y301 WeakPolarHBondContact O-CE1 3.31Å
202E97.2Very high93.2Very high167 Ų16784.7 Ų84.778%0.7843%0.427SS*.PPolyproline II helixtrans-69.3152.1177.7-64.8176.2169.100111.8K204E202-K204 PolarHBondContact O-N 2.61Å
203Y97.7Very high92.8Very high100 Ų10082.5 Ų82.539%0.39243%0.428SS..  trans-66.9115169.6-175.8-86.6000108.8E205 V226 Y301Y203-E205 HydrophobicContact CE1-CG 3.76Å; Y203-E205 PolarHBondContact OH-OE1 2.97Å; Y203-V226 HydrophobicContact CD2-CG1 3.73Å; Y203-V226 HydrophobicContact CD2-CG2 4.21Å; Y203-V226 HydrophobicContact CE1-CG2 4.23Å; Y203-V226 HydrophobicContact CE2-CB 4.3Å; Y203-V226 HydrophobicContact CE2-CG1 3.88Å; Y203-V226 HydrophobicContact CE2-CG2 3.59Å; Y203-V226 HydrophobicContact CG-CG1 4.35Å; Y203-Y301 HydrophobicContact CD2-CD1 4.13Å; Y203-Y301 AromaticContact CD2-CD2 3.83Å; Y203-Y301 HydrophobicContact CD2-CD2 3.83Å; Y203-Y301 HydrophobicContact CD2-CE2 4.29Å; Y203-Y301 AromaticContact CD2-CG 3.74Å; Y203-Y301 HydrophobicContact CD2-CG 3.74Å; Y203-Y301 HydrophobicContact CG-CD1 4.43Å; Y203-Y301 HydrophobicContact CG-CG 4.44Å
204K96.4Very high92.6Very high161 Ų16180.9 Ų80.970%0.743%0.425SS*.  trans-148.4112178.2-174.4172.6-176.6168.50110.6E202E202-K204 PolarHBondContact O-N 2.61Å
205E95.3Very high92.6Very high103 Ų10382 Ų8248%0.48143%0.431SS..  trans-67.6142.8175.8-65.5-175.3-172.600111.3Y203 N224 V226Y203-E205 HydrophobicContact CE1-CG 3.76Å; Y203-E205 PolarHBondContact OH-OE1 2.97Å; E205-N224 HydrophobicContact CG-CB 4.18Å; E205-V226 HydrophobicContact CB-CG2 4.42Å; E205-V226 HydrophobicContact CG-CG2 3.67Å
206N91.8Very high92.5Very high57 Ų5784 Ų8431%0.30544%0.439SS..  trans-146.194.5175.2-174.7-10.6000109.4K208 K209 N224 G225N206-K208 PolarHBondContact O-N 2.81Å; N206-K208 WeakPolarHBondContact OD1-CB 3.36Å; N206-K208 PolarHBondContact OD1-N 3.22Å; N206-K209 HydrophobicContact CB-CB 4.46Å; N206-K209 PolarHBondContact O-N 3.43Å; N206-N224 PolarHBondContact N-O 3.11Å; N206-G225 PolarHBondContact N-O 3.48Å; N206-G225 WeakPolarHBondContact O-CA 3.14Å
207P87.4Confident92.6Very high106 Ų10683.8 Ų83.869%0.68844%0.436SS*.G310 helixtrans-55.7-22.4-178-28.435.5000114.5K209 S210P207-K209 PolarHBondContact O-N 3.42Å; P207-S210 WeakPolarHBondContact CA-OG 3.15Å; P207-S210 WeakPolarHBondContact O-CB 3.47Å; P207-S210 PolarHBondContact O-N 3.27Å; P207-S210 PolarHBondContact O-OG 3.21Å
208K85.1Confident92.6Very high177 Ų17777.8 Ų77.877%0.7740%0.404SS*.G310 helixtrans-72.8-14.3176.2-60.7-178.2179.7175.90113.5M1 N206M1-K208 HydrophobicContact CE-CD 4.44Å; N206-K208 PolarHBondContact O-N 2.81Å; N206-K208 WeakPolarHBondContact OD1-CB 3.36Å; N206-K208 PolarHBondContact OD1-N 3.22Å
209K83.4Confident92.8Very high123 Ų12374.9 Ų74.954%0.53537%0.373SS..G310 helixtrans-115.412.4178.9-64.8-173.3177.7-175.50112N206 P207 N212N206-K209 HydrophobicContact CB-CB 4.46Å; N206-K209 PolarHBondContact O-N 3.43Å; P207-K209 PolarHBondContact O-N 3.42Å; K209-N212 PolarHBondContact O-ND2 3.31Å
210S82.5Confident92.8Very high31 Ų3171.6 Ų71.622%0.21735%0.352CS..THydrogen-bonded Turntrans-62.3150.4177-73.50000112.1P207 N212 A222 H223P207-S210 WeakPolarHBondContact CA-OG 3.15Å; P207-S210 WeakPolarHBondContact O-CB 3.47Å; P207-S210 PolarHBondContact O-N 3.27Å; P207-S210 PolarHBondContact O-OG 3.21Å; S210-N212 VanDerWaalsContact C-N 3.32Å; S210-N212 PolarHBondContact O-N 2.71Å; S210-A222 CarbonylContact C-O 3.44Å; S210-H223 WeakPolarHBondContact CB-O 3.31Å; S210-H223 PolarHBondContact OG-O 3.22Å
211H85.9Confident92.8Very high59 Ų5970 Ų7027%0.27335%0.345SS..THydrogen-bonded Turntrans64.830.8172.5-42.4-57.4000114.2I215 A222 H223 P258H211-I215 HydrophobicContact CB-CD1 4.35Å; H211-A222 PolarHBondContact N-O 3.47Å; H211-H223 AromaticContact CE1-ND1 3.47Å; H211-H223 PolarHBondContact CE1-ND1 2.74Å; H211-H223 AromaticContact ND1-CE1 3.82Å; H211-H223 AromaticContact ND1-CG 3.66Å; H211-H223 AromaticContact ND1-ND1 2.93Å; H211-H223 PolarHBondContact ND1-ND1 2.64Å; H211-P258 HydrophobicContact CB-CB 4.23Å; H211-P258 VanDerWaalsContact CG-CB 3.49Å
212N82.3Confident92.8Very high98 Ų9866.3 Ų66.352%0.52433%0.33SS..  trans-72149.9171.2-75.3-32000111.3K209 S210 T218K209-N212 PolarHBondContact O-ND2 3.31Å; S210-N212 VanDerWaalsContact C-N 3.32Å; S210-N212 PolarHBondContact O-N 2.71Å; N212-T218 WeakPolarHBondContact O-CB 3.49Å; N212-T218 PolarHBondContact O-OG1 3.28Å
213G88.7Confident92.7Very high33 Ų3358.4 Ų58.434%0.3429%0.293SS..SBendtrans90.8-167.6-176.100000112.7I215G213-I215 PolarHBondContact O-N 3.26Å
214T94.1Very high92.6Very high25 Ų2555.9 Ų55.915%0.15329%0.286CS..  trans-79.6114.6178.1-59.80000109.6D167 K169 E216 Y217 T218D167-T214 WeakPolarHBondContact OD1-CB 3.3Å; D167-T214 PolarHBondContact OD1-N 3.37Å; D167-T214 PolarHBondContact OD1-OG1 3.36Å; K169-T214 HydrophobicContact CD-CG2 4.1Å; K169-T214 VanDerWaalsContact CD-OG1 3.23Å; K169-T214 WeakPolarHBondContact CD-OG1 3.42Å; K169-T214 PolarHBondContact NZ-OG1 3.07Å; T214-E216 HydrophobicContact CG2-CB 4.42Å; T214-E216 WeakPolarHBondContact CG2-OE2 3.28Å; T214-E216 PolarHBondContact O-N 3.06Å; T214-E216 VanDerWaalsContact O-N 3.12Å; T214-Y217 HydrophobicContact CG2-CD2 3.56Å; T214-Y217 HydrophobicContact CG2-CE2 3.93Å; T214-Y217 PolarHBondContact O-N 3.25Å; T214-T218 WeakPolarHBondContact O-CB 3.27Å; T214-T218 PolarHBondContact O-N 2.82Å
215I96.8Very high92.6Very high31 Ų3148.4 Ų48.416%0.15926%0.256CS..THydrogen-bonded Turntrans-55.9-35.7-167.3-173.461.7000112.9H211 G213 Y217 H223 L255 P258 V261 K265H211-I215 HydrophobicContact CB-CD1 4.35Å; G213-I215 PolarHBondContact O-N 3.26Å; I215-Y217 VanDerWaalsContact C-N 3.26Å; I215-Y217 PolarHBondContact O-N 3.19Å; I215-H223 VanDerWaalsContact CD1-CE1 3.48Å; I215-H223 WeakPolarHBondContact CD1-CE1 3.35Å; I215-L255 HydrophobicContact CG2-CB 4.4Å; I215-L255 HydrophobicContact CG2-CD2 4.34Å; I215-P258 HydrophobicContact CD1-CB 3.91Å; I215-P258 HydrophobicContact CD1-CG 4.34Å; I215-V261 HydrophobicContact CD1-CB 4.49Å; I215-V261 HydrophobicContact CD1-CG1 4.35Å; I215-V261 HydrophobicContact CG1-CB 4.45Å; I215-V261 HydrophobicContact CG1-CG1 4.26Å; I215-V261 HydrophobicContact CG1-CG2 4.21Å; I215-K265 PolarHBondContact O-NZ 2.72Å
216E97.1Very high92.7Very high52 Ų5243.8 Ų43.824%0.24323%0.234CC..THydrogen-bonded Turntrans-56.8-38.9177-60.471.3-166.100111.5T214 W251 L255T214-E216 HydrophobicContact CG2-CB 4.42Å; T214-E216 WeakPolarHBondContact CG2-OE2 3.28Å; T214-E216 PolarHBondContact O-N 3.06Å; T214-E216 VanDerWaalsContact O-N 3.12Å; E216-W251 PolarHBondContact O-NE1 2.88Å; E216-L255 HydrophobicContact CB-CD2 4.22Å; E216-L255 HydrophobicContact CG-CD1 3.72Å; E216-L255 HydrophobicContact CG-CD2 3.64Å; E216-L255 HydrophobicContact CG-CG 4.3Å
217Y98.2Very high92.9Very high16 Ų1642.3 Ų42.36%0.06323%0.23CC..THydrogen-bonded Turntrans-118-17.7-168.7-49.3-63.2000114.4K169 T214 I215 I236 F239 H243 L249K169-Y217 HydrophobicContact CB-CD2 3.89Å; K169-Y217 HydrophobicContact CB-CE2 3.9Å; T214-Y217 HydrophobicContact CG2-CD2 3.56Å; T214-Y217 HydrophobicContact CG2-CE2 3.93Å; T214-Y217 PolarHBondContact O-N 3.25Å; I215-Y217 VanDerWaalsContact C-N 3.26Å; I215-Y217 PolarHBondContact O-N 3.19Å; Y217-I236 WeakPolarHBondContact O-CA 3.39Å; Y217-I236 VanDerWaalsContact O-CG1 3.28Å; Y217-I236 WeakPolarHBondContact O-CG1 3.49Å; Y217-F239 HydrophobicContact CD1-CB 4.43Å; Y217-F239 WeakPolarHBondContact O-CD2 3.39Å; Y217-H243 HydrophobicContact CE1-CB 4.06Å; Y217-H243 AromaticContact CE1-ND1 3.39Å; Y217-H243 WeakPolarHBondContact CE1-ND1 3.46Å; Y217-H243 AromaticContact CZ-ND1 3.49Å; Y217-H243 PolarHBondContact OH-CE1 3.09Å; Y217-H243 VanDerWaalsContact OH-CE1 3.3Å; Y217-H243 PolarHBondContact OH-ND1 2.72Å; Y217-L249 HydrophobicContact CD1-CD1 4.06Å; Y217-L249 HydrophobicContact CE1-CD1 3.9Å
218T97.8Very high93.3Very high4 Ų438.7 Ų38.73%0.02521%0.206CC..  trans-57.4148.9-172.2-163.40000112.8N212 T214 A222 H223 K265N212-T218 WeakPolarHBondContact O-CB 3.49Å; N212-T218 PolarHBondContact O-OG1 3.28Å; T214-T218 WeakPolarHBondContact O-CB 3.27Å; T214-T218 PolarHBondContact O-N 2.82Å; T218-A222 WeakPolarHBondContact OG1-CB 3.26Å; T218-H223 WeakPolarHBondContact CG2-NE2 3.34Å; T218-K265 PolarHBondContact O-NZ 3.24Å
219S98.1Very high94Very high3 Ų330.2 Ų30.22%0.02117%0.17CC..  trans-71.1161.2-174.568.10000112.9D221 A222 H223 Q235S219-D221 VanDerWaalsContact C-N 3.25Å; S219-D221 PolarHBondContact O-N 3.36Å; S219-A222 WeakPolarHBondContact O-CB 3.36Å; S219-A222 PolarHBondContact O-N 3.45Å; S219-A222 VanDerWaalsContact O-N 3.11Å; S219-A222 PolarHBondContact OG-N 2.74Å; S219-A222 VanDerWaalsContact OG-N 3.16Å; S219-H223 PolarHBondContact O-CD2 3.04Å; S219-H223 VanDerWaalsContact O-CD2 3.26Å; S219-H223 PolarHBondContact O-N 3.25Å; S219-Q235 VanDerWaalsContact CA-OE1 3.25Å
220L98.1Very high94.7Very high32 Ų3225.6 Ų25.617%0.16815%0.149CC..Hα-helixtrans-60.2-36.9172.6-68.7177.8000111.9A222 H223 N224 Q262 K265 I266 M269L220-A222 VanDerWaalsContact C-N 3.31Å; L220-A222 PolarHBondContact O-N 2.86Å; L220-H223 WeakPolarHBondContact O-CB 3.32Å; L220-H223 PolarHBondContact O-N 2.59Å; L220-N224 PolarHBondContact O-N 2.82Å; L220-Q262 HydrophobicContact CD2-CG 4.17Å; L220-K265 HydrophobicContact CD2-CB 3.68Å; L220-I266 HydrophobicContact CD1-CG1 4.09Å; L220-I266 HydrophobicContact CD2-CG1 3.72Å; L220-M269 HydrophobicContact CD1-CG 4.3Å
221D97.6Very high95.5Very high8 Ų826.7 Ų26.74%0.04315%0.148CC..Hα-helixtrans-58-44.3172.5-71.2-33.2000111.3S219 N224 G225 V226 R231S219-D221 VanDerWaalsContact C-N 3.25Å; S219-D221 PolarHBondContact O-N 3.36Å; D221-N224 CarbonylContact O-C 3.42Å; D221-N224 PolarHBondContact O-N 2.86Å; D221-N224 VanDerWaalsContact O-N 3.15Å; D221-G225 PolarHBondContact O-N 3.42Å; D221-G225 VanDerWaalsContact O-N 3.12Å; D221-V226 HydrophobicContact CB-CB 4.08Å; D221-V226 HydrophobicContact CB-CG1 4.49Å; D221-V226 WeakPolarHBondContact O-CB 3.44Å; D221-V226 PolarHBondContact O-N 2.71Å; D221-R231 IonicContact OD1-CZ 2.81Å; D221-R231 IonicContact OD1-NE 2.73Å; D221-R231 IonicContact OD1-NH2 2.82Å; D221-R231 PolarHBondContact OD1-NH2 3.39Å; D221-R231 IonicContact OD2-CZ 2.74Å; D221-R231 IonicContact OD2-NE 3.78Å; D221-R231 PolarHBondContact OD2-NE 3.11Å; D221-R231 IonicContact OD2-NH2 3.64Å; D221-R231 PolarHBondContact OD2-NH2 3.11Å
222A96.5Very high96.1Very high7 Ų724 Ų246%0.05814%0.136CC..Hα-helixtrans-68.5-34177.300000112.6S210 H211 T218 S219 L220 N224 G225S210-A222 CarbonylContact C-O 3.44Å; H211-A222 PolarHBondContact N-O 3.47Å; T218-A222 WeakPolarHBondContact OG1-CB 3.26Å; S219-A222 WeakPolarHBondContact O-CB 3.36Å; S219-A222 PolarHBondContact O-N 3.45Å; S219-A222 VanDerWaalsContact O-N 3.11Å; S219-A222 PolarHBondContact OG-N 2.74Å; S219-A222 VanDerWaalsContact OG-N 3.16Å; L220-A222 VanDerWaalsContact C-N 3.31Å; L220-A222 PolarHBondContact O-N 2.86Å; A222-N224 VanDerWaalsContact C-N 3.3Å; A222-N224 PolarHBondContact O-N 2.99Å; A222-G225 PolarHBondContact O-N 3.39Å; A222-G225 VanDerWaalsContact O-N 3.1Å
223H97.1Very high96.9Very high1 Ų119.3 Ų19.31%0.00511%0.111CC..Hα-helixtrans-61.1-39.1169.3-80.3-89.5000111.7S210 H211 I215 T218 S219 L220 G225 P258 Q262 K265S210-H223 WeakPolarHBondContact CB-O 3.31Å; S210-H223 PolarHBondContact OG-O 3.22Å; H211-H223 AromaticContact CE1-ND1 3.47Å; H211-H223 PolarHBondContact CE1-ND1 2.74Å; H211-H223 AromaticContact ND1-CE1 3.82Å; H211-H223 AromaticContact ND1-CG 3.66Å; H211-H223 AromaticContact ND1-ND1 2.93Å; H211-H223 PolarHBondContact ND1-ND1 2.64Å; I215-H223 VanDerWaalsContact CD1-CE1 3.48Å; I215-H223 WeakPolarHBondContact CD1-CE1 3.35Å; T218-H223 WeakPolarHBondContact CG2-NE2 3.34Å; S219-H223 PolarHBondContact O-CD2 3.04Å; S219-H223 VanDerWaalsContact O-CD2 3.26Å; S219-H223 PolarHBondContact O-N 3.25Å; L220-H223 WeakPolarHBondContact O-CB 3.32Å; L220-H223 PolarHBondContact O-N 2.59Å; H223-G225 PolarHBondContact O-N 3.26Å; H223-P258 PolarHBondContact CE1-O 3.16Å; H223-P258 PolarHBondContact ND1-O 2.81Å; H223-Q262 HydrophobicContact CB-CB 4.25Å; H223-Q262 HydrophobicContact CB-CG 3.81Å; H223-K265 PolarHBondContact NE2-NZ 2.78Å
224N95.7Very high97.4Very high46 Ų4617.7 Ų17.725%0.24610%0.095CC..THydrogen-bonded Turntrans-76.4-0.4174.7-66.9-22.3000113.8E205 N206 L220 D221 A222 V226 Q262E205-N224 HydrophobicContact CG-CB 4.18Å; N206-N224 PolarHBondContact N-O 3.11Å; L220-N224 PolarHBondContact O-N 2.82Å; D221-N224 CarbonylContact O-C 3.42Å; D221-N224 PolarHBondContact O-N 2.86Å; D221-N224 VanDerWaalsContact O-N 3.15Å; A222-N224 VanDerWaalsContact C-N 3.3Å; A222-N224 PolarHBondContact O-N 2.99Å; N224-V226 HydrophobicContact CB-CG2 3.87Å; N224-V226 PolarHBondContact O-N 2.77Å; N224-Q262 PolarHBondContact OD1-NE2 3.49Å
225G95.6Very high97.6Very high5 Ų517.3 Ų17.35%0.0529%0.091CC..THydrogen-bonded Turntrans67.419.5-178.200000113.7N206 D221 A222 H223N206-G225 PolarHBondContact N-O 3.48Å; N206-G225 WeakPolarHBondContact O-CA 3.14Å; D221-G225 PolarHBondContact O-N 3.42Å; D221-G225 VanDerWaalsContact O-N 3.12Å; A222-G225 PolarHBondContact O-N 3.39Å; A222-G225 VanDerWaalsContact O-N 3.1Å; H223-G225 PolarHBondContact O-N 3.26Å
226V96.8Very high97.7Very high6 Ų616 Ų164%0.0369%0.085CC..PPolyproline II helixtrans-72.2149.3171.5-175.20000108.3Y203 E205 D221 N224 Y301Y203-V226 HydrophobicContact CD2-CG1 3.73Å; Y203-V226 HydrophobicContact CD2-CG2 4.21Å; Y203-V226 HydrophobicContact CE1-CG2 4.23Å; Y203-V226 HydrophobicContact CE2-CB 4.3Å; Y203-V226 HydrophobicContact CE2-CG1 3.88Å; Y203-V226 HydrophobicContact CE2-CG2 3.59Å; Y203-V226 HydrophobicContact CG-CG1 4.35Å; E205-V226 HydrophobicContact CB-CG2 4.42Å; E205-V226 HydrophobicContact CG-CG2 3.67Å; D221-V226 HydrophobicContact CB-CB 4.08Å; D221-V226 HydrophobicContact CB-CG1 4.49Å; D221-V226 WeakPolarHBondContact O-CB 3.44Å; D221-V226 PolarHBondContact O-N 2.71Å; N224-V226 HydrophobicContact CB-CG2 3.87Å; N224-V226 PolarHBondContact O-N 2.77Å; V226-Y301 HydrophobicContact CG1-CD2 4.26Å; V226-Y301 HydrophobicContact CG1-CE2 3.49Å; V226-Y301 VanDerWaalsContact CG1-CE2 3.49Å
227A96.1Very high97.8Very high26 Ų2613.5 Ų13.522%0.2157%0.073CC..PPolyproline II helixtrans-61.7141.3174.600000110.4Y192 S229 Y301Y192-A227 HydrophobicContact CD1-CB 4.49Å; Y192-A227 HydrophobicContact CE1-CB 3.69Å; A227-S229 PolarHBondContact O-N 2.94Å; A227-Y301 WeakPolarHBondContact O-CE2 3.3Å; A227-Y301 PolarHBondContact O-OH 3.13Å
228P97.3Very high97.8Very high29 Ų2912.8 Ų12.819%0.1887%0.07CC..PPolyproline II helixtrans-60.5137.9177.2-26.436.7000112.2V164 A166 Y192 Y194V164-P228 HydrophobicContact CG2-CB 3.63Å; A166-P228 HydrophobicContact CB-CB 3.85Å; A166-P228 HydrophobicContact CB-CG 3.83Å; Y192-P228 WeakPolarHBondContact CD1-O 3.27Å; Y194-P228 WeakPolarHBondContact CB-O 3.32Å
229S98.5Very high97.8Very high0 Ų012.6 Ų12.60%07%0.069CC..  trans-132.2178.9172.683.10000111.1A227 R231 G232 D233 Y301A227-S229 PolarHBondContact O-N 2.94Å; S229-R231 VanDerWaalsContact C-N 3.33Å; S229-R231 PolarHBondContact O-N 3.1Å; S229-G232 WeakPolarHBondContact O-CA 3.18Å; S229-G232 PolarHBondContact O-N 3.43Å; S229-D233 PolarHBondContact O-N 2.93Å; S229-Y301 WeakPolarHBondContact CB-O 3.26Å; S229-Y301 WeakPolarHBondContact OG-CD2 3.46Å; S229-Y301 WeakPolarHBondContact OG-CE2 3.48Å; S229-Y301 PolarHBondContact OG-O 3.47Å
230R98.8Very high97.9Very high25 Ų2512.5 Ų12.59%0.0947%0.068CC..Hα-helixtrans-56.7-41.6-173.2-63.1178.2-79-145.7-5.8113.4H159 V164 Y194 G232 D233 L234 D302 D303 P305H159-R230 HydrophobicContact CB-CG 3.99Å; V164-R230 HydrophobicContact CG1-CG 4.47Å; Y194-R230 HydrophobicContact CD2-CG 4.46Å; Y194-R230 HydrophobicContact CE1-CG 4.11Å; Y194-R230 HydrophobicContact CE2-CG 3.81Å; Y194-R230 VanDerWaalsContact OH-CD 3.28Å; Y194-R230 WeakPolarHBondContact OH-CD 3.4Å; Y194-R230 PolarHBondContact OH-NH1 3.45Å; Y194-R230 VanDerWaalsContact OH-NH1 3.14Å; R230-G232 PolarHBondContact O-N 3.35Å; R230-D233 PolarHBondContact O-N 2.77Å; R230-L234 PolarHBondContact O-N 3.14Å; R230-D302 PolarHBondContact NH2-O 3.06Å; R230-D303 PolarHBondContact NE-O 3.13Å; R230-D303 VanDerWaalsContact NH2-C 3.28Å; R230-D303 PolarHBondContact NH2-O 2.91Å; R230-P305 HydrophobicContact CB-CG 3.99Å
231R98.6Very high97.9Very high54 Ų5411 Ų1120%0.2046%0.06CC..Hα-helixtrans-64.7-31177.873.7175.6-174.8-172.5-0.2112.1D221 S229 L234 Q235 L299 Y301D221-R231 IonicContact OD1-CZ 2.81Å; D221-R231 IonicContact OD1-NE 2.73Å; D221-R231 IonicContact OD1-NH2 2.82Å; D221-R231 PolarHBondContact OD1-NH2 3.39Å; D221-R231 IonicContact OD2-CZ 2.74Å; D221-R231 IonicContact OD2-NE 3.78Å; D221-R231 PolarHBondContact OD2-NE 3.11Å; D221-R231 IonicContact OD2-NH2 3.64Å; D221-R231 PolarHBondContact OD2-NH2 3.11Å; S229-R231 VanDerWaalsContact C-N 3.33Å; S229-R231 PolarHBondContact O-N 3.1Å; R231-L234 PolarHBondContact O-N 3.45Å; R231-Q235 WeakPolarHBondContact O-CB 3.44Å; R231-Q235 PolarHBondContact O-N 3.13Å; R231-L299 HydrophobicContact CB-CB 3.91Å; R231-L299 HydrophobicContact CB-CD1 4.05Å; R231-L299 VanDerWaalsContact CD-O 3.31Å; R231-L299 WeakPolarHBondContact CD-O 3.46Å; R231-L299 PolarHBondContact NH1-O 2.77Å; R231-Y301 VanDerWaalsContact NH1-N 3.19Å
232G98.6Very high97.9Very high2 Ų210.6 Ų10.62%0.0216%0.058CC..Hα-helixtrans-63.1-48.1176.500000111.9S229 R230 L234 Q235 I236S229-G232 WeakPolarHBondContact O-CA 3.18Å; S229-G232 PolarHBondContact O-N 3.43Å; R230-G232 PolarHBondContact O-N 3.35Å; G232-L234 VanDerWaalsContact C-N 3.33Å; G232-L234 PolarHBondContact O-N 3.34Å; G232-Q235 PolarHBondContact O-N 3.3Å; G232-I236 WeakPolarHBondContact O-CD1 3.34Å; G232-I236 WeakPolarHBondContact O-CG1 3.38Å; G232-I236 PolarHBondContact O-N 2.55Å
233D98.8Very high97.9Very high0 Ų012 Ų120%06%0.063CC..Hα-helixtrans-60.4-42176.1-90.56000112.3L155 H159 V164 H165 A166 I168 S229 R230 I236 L237L155-D233 HydrophobicContact CD1-CB 4.24Å; L155-D233 HydrophobicContact CD2-CB 4.05Å; H159-D233 IonicContact NE2-OD2 3.4Å; H159-D233 PolarHBondContact NE2-OD2 3.45Å; V164-D233 WeakPolarHBondContact CA-OD2 3.47Å; V164-D233 WeakPolarHBondContact CB-OD2 3.44Å; H165-D233 PolarHBondContact N-OD1 2.93Å; H165-D233 PolarHBondContact N-OD2 3.03Å; A166-D233 VanDerWaalsContact CA-OD1 3.32Å; A166-D233 WeakPolarHBondContact CA-OD1 3.39Å; A166-D233 PolarHBondContact N-OD1 3.2Å; I168-D233 HydrophobicContact CD1-CB 4.22Å; I168-D233 WeakPolarHBondContact CD1-O 3.45Å; S229-D233 PolarHBondContact O-N 2.93Å; R230-D233 PolarHBondContact O-N 2.77Å; D233-I236 PolarHBondContact O-N 3.45Å; D233-L237 WeakPolarHBondContact O-CB 3.46Å; D233-L237 PolarHBondContact O-N 3.17Å
234L98.9Very high97.8Very high0 Ų012.2 Ų12.20%06%0.064CC..Hα-helixtrans-66.8-37.4177.2-66.2174.2000112.3L155 R230 R231 G232 L237 G238 F292 V296 L299 P305 L310L155-L234 HydrophobicContact CD1-CD2 3.87Å; R230-L234 PolarHBondContact O-N 3.14Å; R231-L234 PolarHBondContact O-N 3.45Å; G232-L234 VanDerWaalsContact C-N 3.33Å; G232-L234 PolarHBondContact O-N 3.34Å; L234-L237 PolarHBondContact O-N 3.09Å; L234-G238 PolarHBondContact O-N 3.4Å; L234-F292 HydrophobicContact CD2-CZ 4.27Å; L234-F292 WeakPolarHBondContact O-CE1 3.34Å; L234-V296 HydrophobicContact CB-CG1 4.25Å; L234-V296 HydrophobicContact CB-CG2 3.72Å; L234-L299 HydrophobicContact CD1-CD1 3.85Å; L234-P305 HydrophobicContact CD1-CB 3.56Å; L234-P305 HydrophobicContact CD1-CG 3.46Å; L234-P305 VanDerWaalsContact CD1-CG 3.46Å; L234-L310 HydrophobicContact CD1-CD1 3.63Å; L234-L310 HydrophobicContact CD2-CD1 3.68Å; L234-L310 HydrophobicContact CG-CD1 4.29Å
235Q98.8Very high97.9Very high16 Ų1610.6 Ų10.68%0.0756%0.056CC..Hα-helixtrans-65.6-44174.5-175.2174.864.300111.6S219 R231 G232 L237 G238 F239 V296S219-Q235 VanDerWaalsContact CA-OE1 3.25Å; R231-Q235 WeakPolarHBondContact O-CB 3.44Å; R231-Q235 PolarHBondContact O-N 3.13Å; G232-Q235 PolarHBondContact O-N 3.3Å; Q235-L237 VanDerWaalsContact C-N 3.31Å; Q235-L237 PolarHBondContact O-N 3.18Å; Q235-G238 PolarHBondContact O-N 2.57Å; Q235-F239 HydrophobicContact CG-CD2 4.19Å; Q235-F239 HydrophobicContact CG-CE1 4.14Å; Q235-F239 HydrophobicContact CG-CE2 3.5Å; Q235-F239 VanDerWaalsContact CG-CE2 3.5Å; Q235-F239 HydrophobicContact CG-CZ 3.47Å; Q235-F239 VanDerWaalsContact CG-CZ 3.47Å; Q235-F239 WeakPolarHBondContact O-CG 3.48Å; Q235-F239 PolarHBondContact O-N 2.97Å; Q235-V296 HydrophobicContact CB-CG1 3.99Å
236I98.8Very high97.8Very high4 Ų410.7 Ų10.72%0.0216%0.056CC..Hα-helixtrans-58.8-45.5174.6-64162000110I168 Y217 G232 D233 F239 C240I168-I236 HydrophobicContact CB-CG2 3.82Å; I168-I236 HydrophobicContact CG1-CG2 4.46Å; I168-I236 VanDerWaalsContact O-CG2 3.27Å; I168-I236 WeakPolarHBondContact O-CG2 3.37Å; Y217-I236 WeakPolarHBondContact O-CA 3.39Å; Y217-I236 VanDerWaalsContact O-CG1 3.28Å; Y217-I236 WeakPolarHBondContact O-CG1 3.49Å; G232-I236 WeakPolarHBondContact O-CD1 3.34Å; G232-I236 WeakPolarHBondContact O-CG1 3.38Å; G232-I236 PolarHBondContact O-N 2.55Å; D233-I236 PolarHBondContact O-N 3.45Å; I236-F239 PolarHBondContact O-N 3.26Å; I236-C240 PolarHBondContact O-N 3.23Å; I236-C240 PolarHBondContact O-SG 2.78Å
237L98.9Very high97.7Very high0 Ų011.8 Ų11.80%07%0.068CC..Hα-helixtrans-59.6-47.1175.9177.559.2000111.2L151 V152 L155 I168 D233 L234 Q235 F239 C240 L241 F292L151-L237 HydrophobicContact CB-CD1 3.89Å; L151-L237 HydrophobicContact CB-CD2 4.04Å; L151-L237 HydrophobicContact CD1-CD1 3.5Å; L151-L237 VanDerWaalsContact CD1-CD1 3.5Å; L151-L237 HydrophobicContact CG-CD1 4.34Å; V152-L237 HydrophobicContact CG2-CD2 3.9Å; L155-L237 HydrophobicContact CD1-CB 4.37Å; L155-L237 HydrophobicContact CD1-CD2 3.86Å; I168-L237 HydrophobicContact CD1-CB 4.21Å; D233-L237 WeakPolarHBondContact O-CB 3.46Å; D233-L237 PolarHBondContact O-N 3.17Å; L234-L237 PolarHBondContact O-N 3.09Å; Q235-L237 VanDerWaalsContact C-N 3.31Å; Q235-L237 PolarHBondContact O-N 3.18Å; L237-F239 VanDerWaalsContact C-N 3.34Å; L237-F239 PolarHBondContact O-N 3.1Å; L237-C240 WeakPolarHBondContact O-CB 3.1Å; L237-C240 PolarHBondContact O-N 3.44Å; L237-C240 VanDerWaalsContact O-N 3.14Å; L237-L241 HydrophobicContact CD1-CD1 4.14Å; L237-L241 HydrophobicContact CD1-CD2 4.21Å; L237-L241 HydrophobicContact CD1-CG 3.94Å; L237-L241 HydrophobicContact CG-CD1 4Å; L237-L241 HydrophobicContact CG-CG 4.24Å; L237-L241 VanDerWaalsContact O-CG 3.28Å; L237-L241 WeakPolarHBondContact O-CG 2.98Å; L237-L241 PolarHBondContact O-N 2.92Å; L237-F292 HydrophobicContact CD2-CZ 4.13Å; L237-F292 HydrophobicContact CG-CZ 4.38Å
238G98.7Very high97.6Very high1 Ų113.2 Ų13.21%0.018%0.076CC..Hα-helixtrans-57.6-43.8177.400000113L234 Q235 L241 L242L234-G238 PolarHBondContact O-N 3.4Å; Q235-G238 PolarHBondContact O-N 2.57Å; G238-L241 PolarHBondContact O-N 3.25Å; G238-L242 WeakPolarHBondContact O-CB 3.39Å; G238-L242 PolarHBondContact O-N 3.04Å
239F98.8Very high97.6Very high0 Ų012.1 Ų12.10%07%0.069CC..Hα-helixtrans-65.8-38.4174.9-61-25.7000112.6Y217 Q235 I236 L237 H243 W251 K265 L268 M269 L293Y217-F239 HydrophobicContact CD1-CB 4.43Å; Y217-F239 WeakPolarHBondContact O-CD2 3.39Å; Q235-F239 HydrophobicContact CG-CD2 4.19Å; Q235-F239 HydrophobicContact CG-CE1 4.14Å; Q235-F239 HydrophobicContact CG-CE2 3.5Å; Q235-F239 VanDerWaalsContact CG-CE2 3.5Å; Q235-F239 HydrophobicContact CG-CZ 3.47Å; Q235-F239 VanDerWaalsContact CG-CZ 3.47Å; Q235-F239 WeakPolarHBondContact O-CG 3.48Å; Q235-F239 PolarHBondContact O-N 2.97Å; I236-F239 PolarHBondContact O-N 3.26Å; L237-F239 VanDerWaalsContact C-N 3.34Å; L237-F239 PolarHBondContact O-N 3.1Å; F239-H243 WeakPolarHBondContact O-CB 3.18Å; F239-H243 PolarHBondContact O-N 3.14Å; F239-W251 HydrophobicContact CB-CZ2 4.44Å; F239-W251 AromaticContact CD1-CH2 3.87Å; F239-W251 HydrophobicContact CD1-CH2 3.87Å; F239-W251 HydrophobicContact CD1-CZ2 4.29Å; F239-W251 HydrophobicContact CD2-CH2 4.44Å; F239-W251 HydrophobicContact CD2-CZ2 4.24Å; F239-W251 AromaticContact CE1-CH2 3.96Å; F239-W251 HydrophobicContact CE1-CH2 3.96Å; F239-W251 HydrophobicContact CG-CH2 4.14Å; F239-W251 HydrophobicContact CG-CZ2 4.08Å; F239-W251 HydrophobicContact CZ-CH2 4.28Å; F239-K265 HydrophobicContact CE2-CD 3.88Å; F239-K265 HydrophobicContact CE2-CG 4.06Å; F239-K265 HydrophobicContact CZ-CB 4.34Å; F239-K265 HydrophobicContact CZ-CD 4.41Å; F239-K265 HydrophobicContact CZ-CG 4.13Å; F239-L268 HydrophobicContact CE1-CD2 4.13Å; F239-M269 HydrophobicContact CE1-SD 4.01Å; F239-M269 HydrophobicContact CZ-CG 4.44Å; F239-M269 HydrophobicContact CZ-SD 4.24Å; F239-L293 HydrophobicContact CE1-CD2 4.45Å
240C98.5Very high97.5Very high0 Ų015 Ų150%09%0.087CC..Hα-helixtrans-62.9-48.2174.5-730000112.2I168 I236 L237 L242 H243 W244I168-C240 PolarHBondContact O-SG 3.26Å; I236-C240 PolarHBondContact O-N 3.23Å; I236-C240 PolarHBondContact O-SG 2.78Å; L237-C240 WeakPolarHBondContact O-CB 3.1Å; L237-C240 PolarHBondContact O-N 3.44Å; L237-C240 VanDerWaalsContact O-N 3.14Å; C240-L242 VanDerWaalsContact C-N 3.31Å; C240-L242 PolarHBondContact O-N 2.69Å; C240-H243 PolarHBondContact O-N 2.95Å; C240-W244 HydrophobicContact CB-CD2 4.48Å; C240-W244 HydrophobicContact CB-CH2 3.72Å; C240-W244 HydrophobicContact CB-CZ2 3.57Å; C240-W244 HydrophobicContact CB-CZ3 4.28Å; C240-W244 VanDerWaalsContact O-CD2 3.23Å; C240-W244 PolarHBondContact O-N 2.96Å
241L98.1Very high97.5Very high0 Ų013.8 Ų13.80%08%0.083CC..Hα-helixtrans-60.5-42.9178.9-65.9175.3000111.1V144 L237 G238 W244 L245 L289 L314V144-L241 HydrophobicContact CG1-CB 3.85Å; V144-L241 HydrophobicContact CG1-CD2 3.69Å; V144-L241 HydrophobicContact CG1-CG 4.35Å; V144-L241 WeakPolarHBondContact CG1-O 2.93Å; V144-L241 WeakPolarHBondContact O-CD2 3.3Å; L237-L241 HydrophobicContact CD1-CD1 4.14Å; L237-L241 HydrophobicContact CD1-CD2 4.21Å; L237-L241 HydrophobicContact CD1-CG 3.94Å; L237-L241 HydrophobicContact CG-CD1 4Å; L237-L241 HydrophobicContact CG-CG 4.24Å; L237-L241 VanDerWaalsContact O-CG 3.28Å; L237-L241 WeakPolarHBondContact O-CG 2.98Å; L237-L241 PolarHBondContact O-N 2.92Å; G238-L241 PolarHBondContact O-N 3.25Å; L241-W244 HydrophobicContact CD2-CE3 3.92Å; L241-W244 HydrophobicContact CD2-CZ3 3.76Å; L241-W244 PolarHBondContact O-N 3.34Å; L241-L245 WeakPolarHBondContact O-CB 3.46Å; L241-L245 PolarHBondContact O-N 2.95Å; L241-L289 HydrophobicContact CB-CD1 4.04Å; L241-L289 HydrophobicContact CB-CD2 3.8Å; L241-L289 HydrophobicContact CD1-CD2 3.98Å; L241-L289 HydrophobicContact CG-CD2 4.5Å; L241-L314 HydrophobicContact CD1-CD1 4.34Å; L241-L314 HydrophobicContact CD1-CD2 4.13Å
242L97.3Very high97.4Very high0 Ų013.8 Ų13.80%09%0.087CC..Hα-helixtrans-62.6-44.8176.4-174.662.8000111.4G238 C240 L245 C246 L249 L268 V276 L279 T286 L289G238-L242 WeakPolarHBondContact O-CB 3.39Å; G238-L242 PolarHBondContact O-N 3.04Å; C240-L242 VanDerWaalsContact C-N 3.31Å; C240-L242 PolarHBondContact O-N 2.69Å; L242-L245 PolarHBondContact O-N 2.98Å; L242-C246 VanDerWaalsContact O-CB 3.29Å; L242-C246 WeakPolarHBondContact O-CB 3.39Å; L242-C246 PolarHBondContact O-N 3.48Å; L242-C246 PolarHBondContact O-SG 2.89Å; L242-L249 HydrophobicContact CB-CD2 4.29Å; L242-L249 HydrophobicContact CD2-CD2 4Å; L242-L249 HydrophobicContact CG-CD2 4.15Å; L242-L268 HydrophobicContact CD2-CD1 3.94Å; L242-V276 HydrophobicContact CD1-CG1 3.93Å; L242-V276 HydrophobicContact CD2-CG2 4.31Å; L242-L279 HydrophobicContact CD1-CD1 4.17Å; L242-L279 HydrophobicContact CD2-CD1 3.73Å; L242-L279 HydrophobicContact CG-CD1 4.19Å; L242-T286 HydrophobicContact CD1-CG2 4.39Å; L242-L289 HydrophobicContact CB-CD1 4.39Å; L242-L289 HydrophobicContact CD1-CD1 4.38Å
243H96.9Very high97.3Very high36 Ų3620.3 Ų20.317%0.16712%0.121CC..Hα-helixtrans-61.9-47.2176.8-170.8-172.3000111.6Y217 F239 C240 L245 C246 G247 S248 L249Y217-H243 HydrophobicContact CE1-CB 4.06Å; Y217-H243 AromaticContact CE1-ND1 3.39Å; Y217-H243 WeakPolarHBondContact CE1-ND1 3.46Å; Y217-H243 AromaticContact CZ-ND1 3.49Å; Y217-H243 PolarHBondContact OH-CE1 3.09Å; Y217-H243 VanDerWaalsContact OH-CE1 3.3Å; Y217-H243 PolarHBondContact OH-ND1 2.72Å; F239-H243 WeakPolarHBondContact O-CB 3.18Å; F239-H243 PolarHBondContact O-N 3.14Å; C240-H243 PolarHBondContact O-N 2.95Å; H243-L245 VanDerWaalsContact C-N 3.26Å; H243-L245 PolarHBondContact O-N 2.83Å; H243-C246 PolarHBondContact O-N 2.95Å; H243-G247 VanDerWaalsContact O-CA 3.26Å; H243-G247 WeakPolarHBondContact O-CA 3.19Å; H243-G247 PolarHBondContact O-N 3.24Å; H243-S248 PolarHBondContact CD2-N 3.37Å; H243-L249 HydrophobicContact CB-CD1 3.96Å; H243-L249 HydrophobicContact CB-CD2 4.13Å; H243-L249 HydrophobicContact CB-CG 3.84Å
244W96.6Very high97.2Very high6 Ų621.8 Ų21.82%0.02313%0.13CC..Hα-helixtrans-65.6-30.6-179.6-56.2-25.4000112.7L128 R138 L139 V144 L147 L151 A170 L173 C240 L241L128-W244 HydrophobicContact CD2-CH2 4.37Å; L128-W244 HydrophobicContact CD2-CZ2 4.29Å; L128-W244 HydrophobicContact CD2-CZ3 4.47Å; R138-W244 CarbonylContact C-O 3.47Å; R138-W244 WeakPolarHBondContact CA-O 3.27Å; L139-W244 HydrophobicContact CD1-CB 4.16Å; L139-W244 HydrophobicContact CD1-CG 4.42Å; L139-W244 HydrophobicContact CG-CB 4.39Å; L139-W244 PolarHBondContact N-O 2.8Å; V144-W244 HydrophobicContact CG2-CB 3.99Å; L147-W244 HydrophobicContact CB-CZ3 4.48Å; L147-W244 HydrophobicContact CD1-CE3 4.27Å; L147-W244 HydrophobicContact CD1-CZ3 4.4Å; L151-W244 HydrophobicContact CD1-CH2 4.1Å; L151-W244 HydrophobicContact CD1-CZ3 4.18Å; A170-W244 HydrophobicContact CB-CZ2 4.2Å; L173-W244 HydrophobicContact CD1-CH2 3.36Å; L173-W244 HydrophobicContact CD1-CZ2 3.86Å; L173-W244 HydrophobicContact CD1-CZ3 4.16Å; C240-W244 HydrophobicContact CB-CD2 4.48Å; C240-W244 HydrophobicContact CB-CH2 3.72Å; C240-W244 HydrophobicContact CB-CZ2 3.57Å; C240-W244 HydrophobicContact CB-CZ3 4.28Å; C240-W244 VanDerWaalsContact O-CD2 3.23Å; C240-W244 PolarHBondContact O-N 2.96Å; L241-W244 HydrophobicContact CD2-CE3 3.92Å; L241-W244 HydrophobicContact CD2-CZ3 3.76Å; L241-W244 PolarHBondContact O-N 3.34Å
245L95.8Very high97Very high13 Ų1323.9 Ų23.97%0.06814%0.141CC..Hα-helixtrans-77.1-46.9176.9-176.754000112.4K141 V144 L241 L242 H243 A284 T286 L289K141-L245 HydrophobicContact CB-CD1 3.85Å; K141-L245 HydrophobicContact CG-CD1 4.34Å; V144-L245 HydrophobicContact CG1-CB 4.35Å; V144-L245 HydrophobicContact CG2-CB 4.19Å; L241-L245 WeakPolarHBondContact O-CB 3.46Å; L241-L245 PolarHBondContact O-N 2.95Å; L242-L245 PolarHBondContact O-N 2.98Å; H243-L245 VanDerWaalsContact C-N 3.26Å; H243-L245 PolarHBondContact O-N 2.83Å; L245-A284 HydrophobicContact CD1-CB 4.15Å; L245-T286 HydrophobicContact CD2-CG2 3.88Å; L245-L289 HydrophobicContact CB-CD1 4.24Å; L245-L289 HydrophobicContact CD2-CD1 3.68Å; L245-L289 HydrophobicContact CD2-CG 4.37Å
246C94.9Very high96.9Very high7 Ų733.2 Ų33.25%0.04718%0.182CC..Hα-helixtrans-89.7-23.5-171.7-61.70000113.1L242 H243 S248 L279 V281L242-C246 VanDerWaalsContact O-CB 3.29Å; L242-C246 WeakPolarHBondContact O-CB 3.39Å; L242-C246 PolarHBondContact O-N 3.48Å; L242-C246 PolarHBondContact O-SG 2.89Å; H243-C246 PolarHBondContact O-N 2.95Å; C246-S248 VanDerWaalsContact C-N 3.26Å; C246-S248 PolarHBondContact O-N 2.91Å; C246-L279 PolarHBondContact SG-O 2.99Å; C246-V281 HydrophobicContact CB-CG2 4.3Å
247G93.9Very high96.8Very high28 Ų2835.8 Ų35.829%0.28920%0.195SC..SBendtrans81-0.8-176.400000114.8R138 H243R138-G247 VanDerWaalsContact CG-CA 3.41Å; H243-G247 VanDerWaalsContact O-CA 3.26Å; H243-G247 WeakPolarHBondContact O-CA 3.19Å; H243-G247 PolarHBondContact O-N 3.24Å
248S93.9Very high96.7Very high56 Ų5637.8 Ų37.839%0.39221%0.208SC..  trans-158.4158.7174.958.90000111.3H243 C246 D252H243-S248 PolarHBondContact CD2-N 3.37Å; C246-S248 VanDerWaalsContact C-N 3.26Å; C246-S248 PolarHBondContact O-N 2.91Å; S248-D252 WeakPolarHBondContact CA-OD2 3.21Å; S248-D252 WeakPolarHBondContact CB-OD2 3.23Å
249L96.9Very high96.5Very high7 Ų742.3 Ų42.34%0.03723%0.231CC..  trans-112155.3168-66.7166.1000111Y217 L242 H243 W251 D252Y217-L249 HydrophobicContact CD1-CD1 4.06Å; Y217-L249 HydrophobicContact CE1-CD1 3.9Å; L242-L249 HydrophobicContact CB-CD2 4.29Å; L242-L249 HydrophobicContact CD2-CD2 4Å; L242-L249 HydrophobicContact CG-CD2 4.15Å; H243-L249 HydrophobicContact CB-CD1 3.96Å; H243-L249 HydrophobicContact CB-CD2 4.13Å; H243-L249 HydrophobicContact CB-CG 3.84Å; L249-W251 HydrophobicContact CB-CD2 4.19Å; L249-W251 HydrophobicContact CB-CZ2 4.08Å; L249-W251 HydrophobicContact CD1-CZ2 3.72Å; L249-W251 HydrophobicContact CD2-CH2 4.27Å; L249-W251 HydrophobicContact CD2-CZ2 4.04Å; L249-W251 HydrophobicContact CG-CZ2 4.17Å; L249-W251 PolarHBondContact O-N 2.77Å; L249-D252 PolarHBondContact N-OD2 3.41Å; L249-D252 PolarHBondContact O-N 3.09Å
250P97.2Very high96.5Very high60 Ų6046.3 Ų46.339%0.3925%0.25SS..THydrogen-bonded Turntrans-59.6-14.4-178.3-25.834.8000115.9L268 L279P250-L268 HydrophobicContact CG-CD1 3.92Å; P250-L279 HydrophobicContact CG-CD1 4Å; P250-L279 HydrophobicContact CG-CD2 4.12Å
251W98.1Very high96.5Very high0 Ų046.3 Ų46.30%025%0.25CS..THydrogen-bonded Turntrans-111.67.8-175.851.677.6000114.5E216 F239 L249 N253 V254 L255 V261 A264 K265 L268E216-W251 PolarHBondContact O-NE1 2.88Å; F239-W251 HydrophobicContact CB-CZ2 4.44Å; F239-W251 AromaticContact CD1-CH2 3.87Å; F239-W251 HydrophobicContact CD1-CH2 3.87Å; F239-W251 HydrophobicContact CD1-CZ2 4.29Å; F239-W251 HydrophobicContact CD2-CH2 4.44Å; F239-W251 HydrophobicContact CD2-CZ2 4.24Å; F239-W251 AromaticContact CE1-CH2 3.96Å; F239-W251 HydrophobicContact CE1-CH2 3.96Å; F239-W251 HydrophobicContact CG-CH2 4.14Å; F239-W251 HydrophobicContact CG-CZ2 4.08Å; F239-W251 HydrophobicContact CZ-CH2 4.28Å; L249-W251 HydrophobicContact CB-CD2 4.19Å; L249-W251 HydrophobicContact CB-CZ2 4.08Å; L249-W251 HydrophobicContact CD1-CZ2 3.72Å; L249-W251 HydrophobicContact CD2-CH2 4.27Å; L249-W251 HydrophobicContact CD2-CZ2 4.04Å; L249-W251 HydrophobicContact CG-CZ2 4.17Å; L249-W251 PolarHBondContact O-N 2.77Å; W251-N253 PolarHBondContact O-N 2.69Å; W251-N253 VanDerWaalsContact O-N 3.14Å; W251-V254 HydrophobicContact CB-CG2 3.84Å; W251-V254 VanDerWaalsContact O-CG2 3.25Å; W251-V254 WeakPolarHBondContact O-CG2 3.32Å; W251-V254 PolarHBondContact O-N 2.91Å; W251-L255 PolarHBondContact O-N 3.23Å; W251-V261 HydrophobicContact CB-CG1 4.43Å; W251-V261 HydrophobicContact CB-CG2 4.43Å; W251-V261 HydrophobicContact CG-CG1 4.07Å; W251-A264 HydrophobicContact CB-CB 3.79Å; W251-A264 HydrophobicContact CE3-CB 3.94Å; W251-K265 HydrophobicContact CD2-CG 3.95Å; W251-K265 HydrophobicContact CE3-CG 3.78Å; W251-K265 HydrophobicContact CH2-CB 4.47Å; W251-K265 HydrophobicContact CH2-CG 3.52Å; W251-K265 HydrophobicContact CZ2-CD 4.29Å; W251-K265 HydrophobicContact CZ2-CG 3.68Å; W251-K265 HydrophobicContact CZ3-CB 4.25Å; W251-K265 HydrophobicContact CZ3-CG 3.57Å; W251-L268 HydrophobicContact CH2-CD1 4.42Å; W251-L268 HydrophobicContact CZ3-CB 4.19Å; W251-L268 HydrophobicContact CZ3-CD1 4.06Å
252D96.2Very high96.5Very high53 Ų5347.9 Ų47.928%0.28326%0.257SS..G310 helixtrans-59.4-28.6-176.9-73.3-13.8000113.4S248 L249 V254 L255S248-D252 WeakPolarHBondContact CA-OD2 3.21Å; S248-D252 WeakPolarHBondContact CB-OD2 3.23Å; L249-D252 PolarHBondContact N-OD2 3.41Å; L249-D252 PolarHBondContact O-N 3.09Å; D252-V254 VanDerWaalsContact C-N 3.34Å; D252-L255 WeakPolarHBondContact O-CD1 3.32Å; D252-L255 WeakPolarHBondContact O-CG 3.5Å
253N96.7Very high96.5Very high139 Ų13953.5 Ų53.574%0.74328%0.284SS*.G310 helixtrans-81-10.7177.964.1-14.5000114.1W251W251-N253 PolarHBondContact O-N 2.69Å; W251-N253 VanDerWaalsContact O-N 3.14Å
254V96.6Very high96.6Very high31 Ų3152.9 Ų52.919%0.18829%0.285CS..G310 helixtrans-119.914.7-175.4-64.10000113.7W251 D252 K256 N257 Q260 V261W251-V254 HydrophobicContact CB-CG2 3.84Å; W251-V254 VanDerWaalsContact O-CG2 3.25Å; W251-V254 WeakPolarHBondContact O-CG2 3.32Å; W251-V254 PolarHBondContact O-N 2.91Å; D252-V254 VanDerWaalsContact C-N 3.34Å; V254-K256 PolarHBondContact O-N 3.35Å; V254-N257 PolarHBondContact O-N 3.32Å; V254-Q260 HydrophobicContact CB-CB 4Å; V254-Q260 HydrophobicContact CG1-CB 4.46Å; V254-Q260 HydrophobicContact CG2-CB 4.05Å; V254-V261 HydrophobicContact CG2-CG2 4.19Å; V254-V261 WeakPolarHBondContact O-CG2 3.33Å
255L96.4Very high96.7Very high45 Ų4552.6 Ų52.624%0.23628%0.284CS..THydrogen-bonded Turntrans-54.9-24-176.9-62.9173.7000115.2I215 E216 W251 D252 N257 V261I215-L255 HydrophobicContact CG2-CB 4.4Å; I215-L255 HydrophobicContact CG2-CD2 4.34Å; E216-L255 HydrophobicContact CB-CD2 4.22Å; E216-L255 HydrophobicContact CG-CD1 3.72Å; E216-L255 HydrophobicContact CG-CD2 3.64Å; E216-L255 HydrophobicContact CG-CG 4.3Å; W251-L255 PolarHBondContact O-N 3.23Å; D252-L255 WeakPolarHBondContact O-CD1 3.32Å; D252-L255 WeakPolarHBondContact O-CG 3.5Å; L255-N257 VanDerWaalsContact C-N 3.26Å; L255-N257 PolarHBondContact O-N 3.08Å; L255-V261 HydrophobicContact CD2-CG2 4.27Å
256K95.8Very high96.8Very high212 Ų21255.1 Ų55.192%0.92230%0.296SS*.THydrogen-bonded Turntrans-74.7-13.9175.9-64.7-178.3-177.9174.90113.7V254 P258V254-K256 PolarHBondContact O-N 3.35Å; K256-P258 WeakPolarHBondContact O-CD 3.47Å
257N96.7Very high97Very high57 Ų5761.8 Ų61.831%0.30533%0.325SS..  trans-116.995.8179.3-172.6-21.7000110V254 L255 I259 Q260 V261V254-N257 PolarHBondContact O-N 3.32Å; L255-N257 VanDerWaalsContact C-N 3.26Å; L255-N257 PolarHBondContact O-N 3.08Å; N257-I259 PolarHBondContact O-N 3.47Å; N257-I259 VanDerWaalsContact O-N 3.11Å; N257-I259 PolarHBondContact OD1-N 3.4Å; N257-Q260 HydrophobicContact CB-CB 4.1Å; N257-Q260 HydrophobicContact CB-CG 4.18Å; N257-Q260 VanDerWaalsContact ND2-CD 3.29Å; N257-Q260 WeakPolarHBondContact ND2-CG 3.31Å; N257-Q260 PolarHBondContact ND2-NE2 3.43Å; N257-Q260 VanDerWaalsContact ND2-NE2 3.16Å; N257-Q260 PolarHBondContact O-N 2.77Å; N257-Q260 VanDerWaalsContact O-N 3.11Å; N257-Q260 PolarHBondContact OD1-N 2.88Å; N257-V261 WeakPolarHBondContact O-CG2 3.23Å; N257-V261 PolarHBondContact O-N 2.91Å; N257-V261 VanDerWaalsContact O-N 3.07Å
258P95.9Very high97.2Very high42 Ų4260.7 Ų60.727%0.27331%0.312SS..Hα-helixtrans-58.9-26.2-176.3-26.935.4000115.2H211 I215 H223 K256 Q262H211-P258 HydrophobicContact CB-CB 4.23Å; H211-P258 VanDerWaalsContact CG-CB 3.49Å; I215-P258 HydrophobicContact CD1-CB 3.91Å; I215-P258 HydrophobicContact CD1-CG 4.34Å; H223-P258 PolarHBondContact CE1-O 3.16Å; H223-P258 PolarHBondContact ND1-O 2.81Å; K256-P258 WeakPolarHBondContact O-CD 3.47Å; P258-Q262 WeakPolarHBondContact O-CB 3.36Å; P258-Q262 PolarHBondContact O-N 2.72Å
259I95.8Very high97.4Very high97 Ų9758.4 Ų58.450%0.49730%0.295SS..Hα-helixtrans-72.3-47.4177.5-60.4173.7000109.8N257 V261 Q262 E263N257-I259 PolarHBondContact O-N 3.47Å; N257-I259 VanDerWaalsContact O-N 3.11Å; N257-I259 PolarHBondContact OD1-N 3.4Å; I259-V261 VanDerWaalsContact C-N 3.3Å; I259-V261 PolarHBondContact O-N 3.12Å; I259-Q262 WeakPolarHBondContact O-CB 3.2Å; I259-Q262 PolarHBondContact O-N 3.44Å; I259-Q262 VanDerWaalsContact O-N 3.1Å; I259-E263 WeakPolarHBondContact O-CG 3.41Å; I259-E263 PolarHBondContact O-N 2.85Å
260Q98Very high97.5Very high84 Ų8462.1 Ų62.139%0.39332%0.315SS..Hα-helixtrans-64-36.5177.1-71.3178.17.100112V254 N257 Q262 E263 A264V254-Q260 HydrophobicContact CB-CB 4Å; V254-Q260 HydrophobicContact CG1-CB 4.46Å; V254-Q260 HydrophobicContact CG2-CB 4.05Å; N257-Q260 HydrophobicContact CB-CB 4.1Å; N257-Q260 HydrophobicContact CB-CG 4.18Å; N257-Q260 VanDerWaalsContact ND2-CD 3.29Å; N257-Q260 WeakPolarHBondContact ND2-CG 3.31Å; N257-Q260 PolarHBondContact ND2-NE2 3.43Å; N257-Q260 VanDerWaalsContact ND2-NE2 3.16Å; N257-Q260 PolarHBondContact O-N 2.77Å; N257-Q260 VanDerWaalsContact O-N 3.11Å; N257-Q260 PolarHBondContact OD1-N 2.88Å; Q260-Q262 VanDerWaalsContact C-N 3.34Å; Q260-E263 PolarHBondContact O-N 2.9Å; Q260-A264 WeakPolarHBondContact O-CB 3.48Å; Q260-A264 PolarHBondContact O-N 3.19Å
261V98.4Very high97.5Very high0 Ų063.9 Ų63.90%032%0.321CS..Hα-helixtrans-61.5-44.5172.4175.40000110.8I215 W251 V254 L255 N257 I259 A264 K265I215-V261 HydrophobicContact CD1-CB 4.49Å; I215-V261 HydrophobicContact CD1-CG1 4.35Å; I215-V261 HydrophobicContact CG1-CB 4.45Å; I215-V261 HydrophobicContact CG1-CG1 4.26Å; I215-V261 HydrophobicContact CG1-CG2 4.21Å; W251-V261 HydrophobicContact CB-CG1 4.43Å; W251-V261 HydrophobicContact CB-CG2 4.43Å; W251-V261 HydrophobicContact CG-CG1 4.07Å; V254-V261 HydrophobicContact CG2-CG2 4.19Å; V254-V261 WeakPolarHBondContact O-CG2 3.33Å; L255-V261 HydrophobicContact CD2-CG2 4.27Å; N257-V261 WeakPolarHBondContact O-CG2 3.23Å; N257-V261 PolarHBondContact O-N 2.91Å; N257-V261 VanDerWaalsContact O-N 3.07Å; I259-V261 VanDerWaalsContact C-N 3.3Å; I259-V261 PolarHBondContact O-N 3.12Å; V261-A264 PolarHBondContact O-N 3.15Å; V261-K265 HydrophobicContact CG1-CD 4.16Å; V261-K265 WeakPolarHBondContact O-CG 3.3Å; V261-K265 PolarHBondContact O-N 2.99Å
262Q98.1Very high97.5Very high33 Ų3365.1 Ų65.115%0.15433%0.328CS..Hα-helixtrans-61.3-48.4177.4-174175.53.500111.9L220 H223 N224 P258 I259 Q260 A264 K265 I266L220-Q262 HydrophobicContact CD2-CG 4.17Å; H223-Q262 HydrophobicContact CB-CB 4.25Å; H223-Q262 HydrophobicContact CB-CG 3.81Å; N224-Q262 PolarHBondContact OD1-NE2 3.49Å; P258-Q262 WeakPolarHBondContact O-CB 3.36Å; P258-Q262 PolarHBondContact O-N 2.72Å; I259-Q262 WeakPolarHBondContact O-CB 3.2Å; I259-Q262 PolarHBondContact O-N 3.44Å; I259-Q262 VanDerWaalsContact O-N 3.1Å; Q260-Q262 VanDerWaalsContact C-N 3.34Å; Q262-A264 VanDerWaalsContact C-N 3.31Å; Q262-A264 PolarHBondContact O-N 3.4Å; Q262-K265 PolarHBondContact O-N 3.45Å; Q262-I266 HydrophobicContact CG-CD1 4.04Å; Q262-I266 WeakPolarHBondContact O-CG1 3.28Å; Q262-I266 PolarHBondContact O-N 3.44Å
263E98.3Very high97.6Very high118 Ų11864.9 Ų64.955%0.55133%0.329SS*.Hα-helixtrans-58.8-42.2177.8-71.5171.8169.900111.7I259 Q260 I266 K267I259-E263 WeakPolarHBondContact O-CG 3.41Å; I259-E263 PolarHBondContact O-N 2.85Å; Q260-E263 PolarHBondContact O-N 2.9Å; E263-I266 PolarHBondContact O-N 2.64Å; E263-K267 WeakPolarHBondContact O-CB 3.39Å; E263-K267 PolarHBondContact O-N 2.75Å
264A98.5Very high97.6Very high23 Ų2359.4 Ų59.419%0.1931%0.305CS..Hα-helixtrans-66.3-38.9177.300000112.6W251 Q260 V261 Q262 K267 L268W251-A264 HydrophobicContact CB-CB 3.79Å; W251-A264 HydrophobicContact CE3-CB 3.94Å; Q260-A264 WeakPolarHBondContact O-CB 3.48Å; Q260-A264 PolarHBondContact O-N 3.19Å; V261-A264 PolarHBondContact O-N 3.15Å; Q262-A264 VanDerWaalsContact C-N 3.31Å; Q262-A264 PolarHBondContact O-N 3.4Å; A264-K267 PolarHBondContact O-N 2.86Å; A264-L268 PolarHBondContact O-N 2.96Å
265K98.6Very high97.6Very high0 Ų058.8 Ų58.80%030%0.302CS..Hα-helixtrans-63.9-44.9173.1-75.4172.4-178.7175.90111.7I215 T218 L220 H223 F239 W251 V261 Q262 L268 M269I215-K265 PolarHBondContact O-NZ 2.72Å; T218-K265 PolarHBondContact O-NZ 3.24Å; L220-K265 HydrophobicContact CD2-CB 3.68Å; H223-K265 PolarHBondContact NE2-NZ 2.78Å; F239-K265 HydrophobicContact CE2-CD 3.88Å; F239-K265 HydrophobicContact CE2-CG 4.06Å; F239-K265 HydrophobicContact CZ-CB 4.34Å; F239-K265 HydrophobicContact CZ-CD 4.41Å; F239-K265 HydrophobicContact CZ-CG 4.13Å; W251-K265 HydrophobicContact CD2-CG 3.95Å; W251-K265 HydrophobicContact CE3-CG 3.78Å; W251-K265 HydrophobicContact CH2-CB 4.47Å; W251-K265 HydrophobicContact CH2-CG 3.52Å; W251-K265 HydrophobicContact CZ2-CD 4.29Å; W251-K265 HydrophobicContact CZ2-CG 3.68Å; W251-K265 HydrophobicContact CZ3-CB 4.25Å; W251-K265 HydrophobicContact CZ3-CG 3.57Å; V261-K265 HydrophobicContact CG1-CD 4.16Å; V261-K265 WeakPolarHBondContact O-CG 3.3Å; V261-K265 PolarHBondContact O-N 2.99Å; Q262-K265 PolarHBondContact O-N 3.45Å; K265-L268 PolarHBondContact O-N 3.48Å; K265-M269 VanDerWaalsContact O-CG 3.3Å; K265-M269 WeakPolarHBondContact O-CG 3.25Å; K265-M269 PolarHBondContact O-N 2.99Å
266I98.5Very high97.6Very high65 Ų6556.6 Ų56.633%0.33329%0.291SS..Hα-helixtrans-58.4-50174.9-69167.3000109.7L220 Q262 E263 L268 M269 D270L220-I266 HydrophobicContact CD1-CG1 4.09Å; L220-I266 HydrophobicContact CD2-CG1 3.72Å; Q262-I266 HydrophobicContact CG-CD1 4.04Å; Q262-I266 WeakPolarHBondContact O-CG1 3.28Å; Q262-I266 PolarHBondContact O-N 3.44Å; E263-I266 PolarHBondContact O-N 2.64Å; I266-L268 VanDerWaalsContact C-N 3.31Å; I266-L268 PolarHBondContact O-N 3.28Å; I266-M269 PolarHBondContact O-N 2.88Å; I266-M269 VanDerWaalsContact O-N 3.14Å; I266-D270 VanDerWaalsContact CG2-OD2 3.29Å; I266-D270 WeakPolarHBondContact CG2-OD2 3.21Å; I266-D270 WeakPolarHBondContact O-CB 3.23Å; I266-D270 PolarHBondContact O-N 2.84Å
267K98.4Very high97.6Very high148 Ų14850.2 Ų50.264%0.64326%0.264SS*.Hα-helixtrans-57.9-42.1178.3-174.9-179.5179.3-177.80112.4E263 A264 N271E263-K267 WeakPolarHBondContact O-CB 3.39Å; E263-K267 PolarHBondContact O-N 2.75Å; A264-K267 PolarHBondContact O-N 2.86Å; K267-N271 PolarHBondContact O-N 3.02Å; K267-N271 PolarHBondContact O-ND2 2.83Å
268L98.6Very high97.4Very high5 Ų555.1 Ų55.13%0.02629%0.286CS..Hα-helixtrans-62.3-50.2175.5-179.6143.1000110.8F239 L242 P250 W251 A264 K265 I266 D270 N271 S275 V276 L279 L293F239-L268 HydrophobicContact CE1-CD2 4.13Å; L242-L268 HydrophobicContact CD2-CD1 3.94Å; P250-L268 HydrophobicContact CG-CD1 3.92Å; W251-L268 HydrophobicContact CH2-CD1 4.42Å; W251-L268 HydrophobicContact CZ3-CB 4.19Å; W251-L268 HydrophobicContact CZ3-CD1 4.06Å; A264-L268 PolarHBondContact O-N 2.96Å; K265-L268 PolarHBondContact O-N 3.48Å; I266-L268 VanDerWaalsContact C-N 3.31Å; I266-L268 PolarHBondContact O-N 3.28Å; L268-D270 VanDerWaalsContact C-N 3.32Å; L268-D270 PolarHBondContact O-N 2.82Å; L268-N271 PolarHBondContact O-N 3.01Å; L268-S275 WeakPolarHBondContact O-CB 3.44Å; L268-S275 PolarHBondContact O-OG 3.36Å; L268-V276 HydrophobicContact CD1-CG2 4.42Å; L268-V276 HydrophobicContact CD2-CG2 4.09Å; L268-V276 HydrophobicContact CG-CG2 4.31Å; L268-L279 HydrophobicContact CD1-CD1 4.01Å; L268-L293 HydrophobicContact CD2-CD1 4.29Å
269M98.3Very high97.3Very high8 Ų855 Ų554%0.03928%0.282CS..Hα-helixtrans-63.3-37.6-179.2-66.5-60.9-64.200112.2L220 F239 K265 I266 N271 L272 L293 R297L220-M269 HydrophobicContact CD1-CG 4.3Å; F239-M269 HydrophobicContact CE1-SD 4.01Å; F239-M269 HydrophobicContact CZ-CG 4.44Å; F239-M269 HydrophobicContact CZ-SD 4.24Å; K265-M269 VanDerWaalsContact O-CG 3.3Å; K265-M269 WeakPolarHBondContact O-CG 3.25Å; K265-M269 PolarHBondContact O-N 2.99Å; I266-M269 PolarHBondContact O-N 2.88Å; I266-M269 VanDerWaalsContact O-N 3.14Å; M269-N271 VanDerWaalsContact C-N 3.35Å; M269-N271 PolarHBondContact O-N 2.83Å; M269-L272 HydrophobicContact CE-CD1 4.24Å; M269-L272 WeakPolarHBondContact O-CD1 3.43Å; M269-L272 WeakPolarHBondContact O-CG 3.48Å; M269-L272 HydrophobicContact SD-CD1 4.38Å; M269-L293 HydrophobicContact SD-CD2 4.17Å; M269-R297 HydrophobicContact CE-CB 3.77Å; M269-R297 HydrophobicContact CE-CG 4.21Å; M269-R297 WeakPolarHBondContact O-CD 3.27Å; M269-R297 VanDerWaalsContact O-CZ 3.29Å; M269-R297 PolarHBondContact O-NH1 3.27Å
270D98.2Very high96.9Very high85 Ų8553.3 Ų53.346%0.45528%0.28SS..Hα-helixtrans-69.1-30.1-176.9-80.5-18.9000114I266 L268 R297I266-D270 VanDerWaalsContact CG2-OD2 3.29Å; I266-D270 WeakPolarHBondContact CG2-OD2 3.21Å; I266-D270 WeakPolarHBondContact O-CB 3.23Å; I266-D270 PolarHBondContact O-N 2.84Å; L268-D270 VanDerWaalsContact C-N 3.32Å; L268-D270 PolarHBondContact O-N 2.82Å; D270-R297 VanDerWaalsContact C-NH1 3.35Å; D270-R297 VanDerWaalsContact CA-NH1 3.3Å; D270-R297 PolarHBondContact O-NH1 2.99Å; D270-R297 IonicContact OD1-CZ 2.63Å; D270-R297 IonicContact OD1-NH2 3.55Å; D270-R297 PolarHBondContact OD1-NH2 3.07Å
271N98Very high96Very high96 Ų9652 Ų5251%0.51328%0.277SS..THydrogen-bonded Turntrans-106.823.6-173.1-64.2-81000113.5K267 L268 M269 G274 S275K267-N271 PolarHBondContact O-N 3.02Å; K267-N271 PolarHBondContact O-ND2 2.83Å; L268-N271 PolarHBondContact O-N 3.01Å; M269-N271 VanDerWaalsContact C-N 3.35Å; M269-N271 PolarHBondContact O-N 2.83Å; N271-G274 PolarHBondContact O-N 2.93Å; N271-G274 VanDerWaalsContact O-N 3.16Å; N271-S275 PolarHBondContact O-N 3.31Å; N271-S275 PolarHBondContact O-OG 3.15Å
272L97.8Very high94.8Very high27 Ų2757.1 Ų57.114%0.14131%0.313CS..THydrogen-bonded Turntrans-64.8149.1173.3-68.9169.7000111.7M269 V276 L293 I294M269-L272 HydrophobicContact CE-CD1 4.24Å; M269-L272 WeakPolarHBondContact O-CD1 3.43Å; M269-L272 WeakPolarHBondContact O-CG 3.48Å; M269-L272 HydrophobicContact SD-CD1 4.38Å; L272-V276 HydrophobicContact CD2-CB 4.15Å; L272-V276 HydrophobicContact CD2-CG2 3.41Å; L272-V276 VanDerWaalsContact CD2-CG2 3.41Å; L272-L293 HydrophobicContact CD1-CB 3.95Å; L272-L293 HydrophobicContact CD2-CB 4.17Å; L272-I294 HydrophobicContact CB-CD1 4.49Å; L272-I294 HydrophobicContact CB-CG1 3.84Å; L272-I294 HydrophobicContact CD1-CG1 4.16Å
273P97.6Very high93.7Very high47 Ų4759.5 Ų59.531%0.30535%0.347SS..THydrogen-bonded Turncis-78.9-15-4.930.8-34000113.5S275 V276 Q277 A290 I294P273-S275 VanDerWaalsContact C-N 3.32Å; P273-S275 PolarHBondContact O-N 3.5Å; P273-V276 PolarHBondContact O-N 3.26Å; P273-Q277 HydrophobicContact CB-CG 4.39Å; P273-Q277 PolarHBondContact O-N 2.91Å; P273-A290 HydrophobicContact CB-CB 3.84Å; P273-I294 HydrophobicContact CB-CD1 3.96Å; P273-I294 HydrophobicContact CG-CD1 4.45Å
274G96.9Very high93Very high24 Ų2455.2 Ų55.225%0.24733%0.331CS..Hα-helixtrans-58.1-38.5-168.500000114.2N271 V276 Q277 Q278N271-G274 PolarHBondContact O-N 2.93Å; N271-G274 VanDerWaalsContact O-N 3.16Å; G274-V276 PolarHBondContact O-N 3.33Å; G274-Q277 PolarHBondContact O-N 2.91Å; G274-Q278 WeakPolarHBondContact O-CB 3.3Å; G274-Q278 WeakPolarHBondContact O-CG 3.17Å; G274-Q278 PolarHBondContact O-N 2.9Å
275S96.8Very high92.7Very high18 Ų1855.9 Ų55.913%0.12634%0.335CS..Hα-helixtrans-59.1-32.2176.656.90000113.8L268 N271 P273 L279L268-S275 WeakPolarHBondContact O-CB 3.44Å; L268-S275 PolarHBondContact O-OG 3.36Å; N271-S275 PolarHBondContact O-N 3.31Å; N271-S275 PolarHBondContact O-OG 3.15Å; P273-S275 VanDerWaalsContact C-N 3.32Å; P273-S275 PolarHBondContact O-N 3.5Å; S275-L279 WeakPolarHBondContact O-CG 3.5Å
276V97Very high92.6Very high0 Ų056 Ų560%034%0.335CS..Hα-helixtrans-89-38.6178.8168.50000111.2L242 L268 L272 P273 G274 Q278 L279 T286 L289 A290 L293L242-V276 HydrophobicContact CD1-CG1 3.93Å; L242-V276 HydrophobicContact CD2-CG2 4.31Å; L268-V276 HydrophobicContact CD1-CG2 4.42Å; L268-V276 HydrophobicContact CD2-CG2 4.09Å; L268-V276 HydrophobicContact CG-CG2 4.31Å; L272-V276 HydrophobicContact CD2-CB 4.15Å; L272-V276 HydrophobicContact CD2-CG2 3.41Å; L272-V276 VanDerWaalsContact CD2-CG2 3.41Å; P273-V276 PolarHBondContact O-N 3.26Å; G274-V276 PolarHBondContact O-N 3.33Å; V276-Q278 VanDerWaalsContact C-N 3.27Å; V276-Q278 PolarHBondContact O-N 3.05Å; V276-L279 WeakPolarHBondContact O-CB 3.22Å; V276-L279 PolarHBondContact O-N 3.26Å; V276-L279 VanDerWaalsContact O-N 3.08Å; V276-T286 PolarHBondContact O-OG1 2.87Å; V276-L289 HydrophobicContact CG1-CB 4.49Å; V276-A290 HydrophobicContact CB-CB 4.01Å; V276-A290 HydrophobicContact CG1-CB 3.82Å; V276-L293 HydrophobicContact CG2-CD1 3.84Å
277Q95.1Very high92.4Very high77 Ų7756.1 Ų56.136%0.3634%0.336SS..Hα-helixtrans-62.5-34.9177.5-72.1175.3-34.800112.6P273 G274 L279 S280 T286 D287P273-Q277 HydrophobicContact CB-CG 4.39Å; P273-Q277 PolarHBondContact O-N 2.91Å; G274-Q277 PolarHBondContact O-N 2.91Å; Q277-L279 PolarHBondContact O-N 2.82Å; Q277-S280 WeakPolarHBondContact O-CB 3.21Å; Q277-S280 PolarHBondContact O-N 2.91Å; Q277-S280 PolarHBondContact O-OG 2.95Å; Q277-T286 VanDerWaalsContact CA-OG1 3.29Å; Q277-T286 WeakPolarHBondContact CA-OG1 3.33Å; Q277-D287 PolarHBondContact NE2-OD1 2.85Å
278Q93.6Very high92.3Very high161 Ų16151.6 Ų51.675%0.75232%0.318SS*.THydrogen-bonded Turntrans-68-16175.5-73.21707.900114G274 V276 S280G274-Q278 WeakPolarHBondContact O-CB 3.3Å; G274-Q278 WeakPolarHBondContact O-CG 3.17Å; G274-Q278 PolarHBondContact O-N 2.9Å; V276-Q278 VanDerWaalsContact C-N 3.27Å; V276-Q278 PolarHBondContact O-N 3.05Å; Q278-S280 VanDerWaalsContact C-N 3.28Å
279L92.6Very high92.3Very high38 Ų3851.4 Ų51.420%0.19932%0.317CS..THydrogen-bonded Turntrans-87.22.7176.9-59.5173.1000112.8L242 C246 P250 L268 S275 V276 Q277 V281L242-L279 HydrophobicContact CD1-CD1 4.17Å; L242-L279 HydrophobicContact CD2-CD1 3.73Å; L242-L279 HydrophobicContact CG-CD1 4.19Å; C246-L279 PolarHBondContact SG-O 2.99Å; P250-L279 HydrophobicContact CG-CD1 4Å; P250-L279 HydrophobicContact CG-CD2 4.12Å; L268-L279 HydrophobicContact CD1-CD1 4.01Å; S275-L279 WeakPolarHBondContact O-CG 3.5Å; V276-L279 WeakPolarHBondContact O-CB 3.22Å; V276-L279 PolarHBondContact O-N 3.26Å; V276-L279 VanDerWaalsContact O-N 3.08Å; Q277-L279 PolarHBondContact O-N 2.82Å; L279-V281 VanDerWaalsContact O-CG2 3.28Å; L279-V281 WeakPolarHBondContact O-CG2 3.33Å; L279-V281 PolarHBondContact O-N 3.43Å
280S87.1Confident92.3Very high63 Ų6351 Ų5144%0.44132%0.315SS..  trans-57.1128.7176.1540000111.1Q277 Q278 A284Q277-S280 WeakPolarHBondContact O-CB 3.21Å; Q277-S280 PolarHBondContact O-N 2.91Å; Q277-S280 PolarHBondContact O-OG 2.95Å; Q278-S280 VanDerWaalsContact C-N 3.28Å; S280-A284 VanDerWaalsContact CB-O 3.28Å; S280-A284 WeakPolarHBondContact CB-O 3.33Å
281V80.6Confident92.3Very high55 Ų5551.3 Ų51.333%0.33331%0.313SS..  trans-122.7142.7179.2-167.40000108.9R138 C246 L279 G283 A284R138-V281 VanDerWaalsContact NH1-CG1 3.29Å; C246-V281 HydrophobicContact CB-CG2 4.3Å; L279-V281 VanDerWaalsContact O-CG2 3.28Å; L279-V281 WeakPolarHBondContact O-CG2 3.33Å; L279-V281 PolarHBondContact O-N 3.43Å; V281-G283 PolarHBondContact O-N 3.19Å; V281-G283 VanDerWaalsContact O-N 3.1Å; V281-A284 PolarHBondContact O-N 2.69Å; V281-A284 VanDerWaalsContact O-N 3.15Å
282S72.6Confident92.3Very high108 Ų10846.8 Ų46.876%0.75529%0.289SS*.THydrogen-bonded Turntrans55.831.3172.2-590000114.5R138 A284R138-S282 PolarHBondContact NH1-OG 3.37Å; S282-A284 VanDerWaalsContact C-N 3.29Å; S282-A284 PolarHBondContact O-N 3.44Å
283G74.9Confident92.4Very high84 Ų8445.6 Ų45.687%0.86628%0.283SS*.THydrogen-bonded Turntrans79.21.6177.100000115.4V281 S285V281-G283 PolarHBondContact O-N 3.19Å; V281-G283 VanDerWaalsContact O-N 3.1Å; G283-S285 PolarHBondContact O-N 3.09Å
284A84.4Confident92.4Very high28 Ų2845.9 Ų45.923%0.23128%0.281CS..  trans-80.1115.7172.600000110.2L245 S280 V281 S282L245-A284 HydrophobicContact CD1-CB 4.15Å; S280-A284 VanDerWaalsContact CB-O 3.28Å; S280-A284 WeakPolarHBondContact CB-O 3.33Å; V281-A284 PolarHBondContact O-N 2.69Å; V281-A284 VanDerWaalsContact O-N 3.15Å; S282-A284 VanDerWaalsContact C-N 3.29Å; S282-A284 PolarHBondContact O-N 3.44Å
285S91.8Very high92.5Very high37 Ų3746.7 Ų46.726%0.25928%0.277SS..  trans-68147.2172.1130.80000110.7K141 G283 D287K141-S285 WeakPolarHBondContact CD-O 3.49Å; K141-S285 VanDerWaalsContact CE-O 3.32Å; K141-S285 WeakPolarHBondContact CE-O 3.39Å; K141-S285 PolarHBondContact NZ-O 2.95Å; K141-S285 PolarHBondContact NZ-OG 3.32Å; G283-S285 PolarHBondContact O-N 3.09Å; S285-D287 WeakPolarHBondContact CB-OD2 3.29Å; S285-D287 PolarHBondContact OG-N 2.95Å; S285-D287 PolarHBondContact OG-OD2 3.13Å
286T95.1Very high92.6Very high1 Ų146.1 Ų46.11%0.00627%0.273CS..  trans-108.215.8178.552.40000112.2L242 L245 V276 Q277 E288 L289 A290L242-T286 HydrophobicContact CD1-CG2 4.39Å; L245-T286 HydrophobicContact CD2-CG2 3.88Å; V276-T286 PolarHBondContact O-OG1 2.87Å; Q277-T286 VanDerWaalsContact CA-OG1 3.29Å; Q277-T286 WeakPolarHBondContact CA-OG1 3.33Å; T286-E288 PolarHBondContact O-N 3.49Å; T286-L289 PolarHBondContact O-N 3.13Å; T286-L289 VanDerWaalsContact O-N 3.07Å; T286-A290 PolarHBondContact O-N 3.11Å
287D95.4Very high92.7Very high68 Ų6851.9 Ų51.936%0.36430%0.295SS..Hα-helixtrans-60.7-43-170.8-62.2-42.7000112.7Q277 S285 L289 A290 E291Q277-D287 PolarHBondContact NE2-OD1 2.85Å; S285-D287 WeakPolarHBondContact CB-OD2 3.29Å; S285-D287 PolarHBondContact OG-N 2.95Å; S285-D287 PolarHBondContact OG-OD2 3.13Å; D287-L289 VanDerWaalsContact C-N 3.26Å; D287-L289 PolarHBondContact O-N 2.96Å; D287-A290 WeakPolarHBondContact O-CB 3.04Å; D287-A290 PolarHBondContact O-N 3.06Å; D287-A290 VanDerWaalsContact O-N 3.11Å; D287-E291 WeakPolarHBondContact O-CG 3.43Å; D287-E291 PolarHBondContact O-N 3.3Å
288E97.1Very high92.8Very high54 Ų5452.7 Ų52.725%0.25231%0.305SS..Hα-helixtrans-61.3-36.5177.2-61.787.1159.800111.5K141 L145 T286 F292 L313K141-E288 WeakPolarHBondContact CE-OE1 3.45Å; K141-E288 WeakPolarHBondContact CE-OE2 3.37Å; K141-E288 IonicContact NZ-OE1 2.69Å; K141-E288 PolarHBondContact NZ-OE1 3.13Å; K141-E288 IonicContact NZ-OE2 3.13Å; K141-E288 PolarHBondContact NZ-OE2 3.29Å; L145-E288 HydrophobicContact CD1-CG 4.3Å; L145-E288 HydrophobicContact CD2-CB 3.88Å; L145-E288 HydrophobicContact CD2-CG 4.43Å; T286-E288 PolarHBondContact O-N 3.49Å; E288-F292 VanDerWaalsContact O-CB 3.28Å; E288-F292 WeakPolarHBondContact O-CB 3.5Å; E288-F292 PolarHBondContact O-N 2.92Å; E288-L313 WeakPolarHBondContact CB-O 3.4Å
289L97.8Very high93.1Very high1 Ų145.5 Ų45.51%0.00527%0.272CS..Hα-helixtrans-76.1-32.4176.5-57.8-170.4000111.9L145 L241 L242 L245 V276 T286 D287 L293 L314L145-L289 HydrophobicContact CD2-CD2 4.11Å; L241-L289 HydrophobicContact CB-CD1 4.04Å; L241-L289 HydrophobicContact CB-CD2 3.8Å; L241-L289 HydrophobicContact CD1-CD2 3.98Å; L241-L289 HydrophobicContact CG-CD2 4.5Å; L242-L289 HydrophobicContact CB-CD1 4.39Å; L242-L289 HydrophobicContact CD1-CD1 4.38Å; L245-L289 HydrophobicContact CB-CD1 4.24Å; L245-L289 HydrophobicContact CD2-CD1 3.68Å; L245-L289 HydrophobicContact CD2-CG 4.37Å; V276-L289 HydrophobicContact CG1-CB 4.49Å; T286-L289 PolarHBondContact O-N 3.13Å; T286-L289 VanDerWaalsContact O-N 3.07Å; D287-L289 VanDerWaalsContact C-N 3.26Å; D287-L289 PolarHBondContact O-N 2.96Å; L289-L293 WeakPolarHBondContact O-CB 3.44Å; L289-L293 WeakPolarHBondContact O-CG 3.5Å; L289-L293 PolarHBondContact O-N 3.23Å; L289-L314 HydrophobicContact CD2-CD2 3.87Å
290A98.1Very high93.3Very high0 Ų048.6 Ų48.60%029%0.288CS..Hα-helixtrans-64.8-48.4173.800000110.6P273 V276 T286 D287 F292 L293 I294P273-A290 HydrophobicContact CB-CB 3.84Å; V276-A290 HydrophobicContact CB-CB 4.01Å; V276-A290 HydrophobicContact CG1-CB 3.82Å; T286-A290 PolarHBondContact O-N 3.11Å; D287-A290 WeakPolarHBondContact O-CB 3.04Å; D287-A290 PolarHBondContact O-N 3.06Å; D287-A290 VanDerWaalsContact O-N 3.11Å; A290-F292 PolarHBondContact O-N 3.22Å; A290-L293 PolarHBondContact O-N 2.92Å; A290-I294 VanDerWaalsContact O-CG1 3.27Å; A290-I294 WeakPolarHBondContact O-CG1 3.42Å; A290-I294 PolarHBondContact O-N 3.21Å
291E98.4Very high93.9Very high91 Ų9146.2 Ų46.243%0.42527%0.27SS..Hα-helixtrans-62.7-41.1175.8-67.5-58.2144.100112D287 L293 I294 Y295 L313D287-E291 WeakPolarHBondContact O-CG 3.43Å; D287-E291 PolarHBondContact O-N 3.3Å; E291-L293 VanDerWaalsContact C-N 3.35Å; E291-L293 PolarHBondContact O-N 2.92Å; E291-I294 PolarHBondContact O-N 3.42Å; E291-Y295 PolarHBondContact O-N 3.38Å; E291-L313 HydrophobicContact CB-CD1 4.41Å; E291-L313 HydrophobicContact CB-CD2 3.91Å
292F98.7Very high94.7Very high1 Ų148.4 Ų48.40%0.00428%0.28CS..Hα-helixtrans-56.3-48.8172.9-179.9-80000111.3V152 L234 L237 E288 A290 Y295 V296 L310 L314V152-F292 HydrophobicContact CG2-CE2 4.18Å; L234-F292 HydrophobicContact CD2-CZ 4.27Å; L234-F292 WeakPolarHBondContact O-CE1 3.34Å; L237-F292 HydrophobicContact CD2-CZ 4.13Å; L237-F292 HydrophobicContact CG-CZ 4.38Å; E288-F292 VanDerWaalsContact O-CB 3.28Å; E288-F292 WeakPolarHBondContact O-CB 3.5Å; E288-F292 PolarHBondContact O-N 2.92Å; A290-F292 PolarHBondContact O-N 3.22Å; F292-Y295 PolarHBondContact O-N 2.89Å; F292-V296 HydrophobicContact CD1-CG2 4.03Å; F292-V296 HydrophobicContact CE1-CG2 3.69Å; F292-V296 HydrophobicContact CZ-CG2 4.25Å; F292-V296 WeakPolarHBondContact O-CG2 3.36Å; F292-V296 PolarHBondContact O-N 3.28Å; F292-L310 HydrophobicContact CD2-CD2 3.59Å; F292-L310 HydrophobicContact CE2-CB 4.17Å; F292-L310 HydrophobicContact CE2-CD2 3.52Å; F292-L310 HydrophobicContact CE2-CG 4.29Å; F292-L310 HydrophobicContact CG-CD2 4.25Å; F292-L310 HydrophobicContact CZ-CD2 4.12Å; F292-L314 HydrophobicContact CD2-CD1 3.74Å; F292-L314 HydrophobicContact CD2-CD2 4.09Å; F292-L314 HydrophobicContact CD2-CG 3.89Å; F292-L314 HydrophobicContact CE2-CD1 3.72Å; F292-L314 HydrophobicContact CE2-CG 4.39Å
293L98.7Very high95.9Very high1 Ų146.2 Ų46.21%0.00526%0.259CS..Hα-helixtrans-71.2-30.7-179.9-75.5171.1000113.1F239 L268 M269 L272 V276 L289 A290 E291 V296 R297F239-L293 HydrophobicContact CE1-CD2 4.45Å; L268-L293 HydrophobicContact CD2-CD1 4.29Å; M269-L293 HydrophobicContact SD-CD2 4.17Å; L272-L293 HydrophobicContact CD1-CB 3.95Å; L272-L293 HydrophobicContact CD2-CB 4.17Å; V276-L293 HydrophobicContact CG2-CD1 3.84Å; L289-L293 WeakPolarHBondContact O-CB 3.44Å; L289-L293 WeakPolarHBondContact O-CG 3.5Å; L289-L293 PolarHBondContact O-N 3.23Å; A290-L293 PolarHBondContact O-N 2.92Å; E291-L293 VanDerWaalsContact C-N 3.35Å; E291-L293 PolarHBondContact O-N 2.92Å; L293-V296 PolarHBondContact O-N 3.36Å; L293-R297 WeakPolarHBondContact O-CB 3.32Å; L293-R297 PolarHBondContact O-N 2.93Å
294I98.7Very high97.1Very high54 Ų5447.8 Ų47.828%0.27724%0.243SC..Hα-helixtrans-60.2-50.5171.4-75.4165.8000109.3L272 P273 A290 E291 V296 R297 T298L272-I294 HydrophobicContact CB-CD1 4.49Å; L272-I294 HydrophobicContact CB-CG1 3.84Å; L272-I294 HydrophobicContact CD1-CG1 4.16Å; P273-I294 HydrophobicContact CB-CD1 3.96Å; P273-I294 HydrophobicContact CG-CD1 4.45Å; A290-I294 VanDerWaalsContact O-CG1 3.27Å; A290-I294 WeakPolarHBondContact O-CG1 3.42Å; A290-I294 PolarHBondContact O-N 3.21Å; E291-I294 PolarHBondContact O-N 3.42Å; I294-V296 PolarHBondContact O-N 3.42Å; I294-R297 WeakPolarHBondContact O-CB 3.42Å; I294-R297 PolarHBondContact O-N 3.27Å; I294-T298 PolarHBondContact O-N 3.1Å
295Y98.8Very high97.8Very high41 Ų4146.7 Ų46.716%0.16123%0.233CC..Hα-helixtrans-61-44.4176.6176.6-96.5000112.1E291 F292 R297 T298 L299 D306 L309 L310E291-Y295 PolarHBondContact O-N 3.38Å; F292-Y295 PolarHBondContact O-N 2.89Å; Y295-R297 PolarHBondContact O-N 2.89Å; Y295-T298 PolarHBondContact O-N 3.41Å; Y295-T298 PolarHBondContact O-OG1 3.43Å; Y295-L299 HydrophobicContact CE1-CD1 4.22Å; Y295-L299 HydrophobicContact CE1-CD2 4.2Å; Y295-L299 HydrophobicContact CE1-CG 4.37Å; Y295-D306 WeakPolarHBondContact OH-CB 3.26Å; Y295-D306 PolarHBondContact OH-N 3.38Å; Y295-L309 HydrophobicContact CD2-CD2 3.54Å; Y295-L309 HydrophobicContact CE2-CD2 3.7Å; Y295-L309 HydrophobicContact CG-CD2 4.18Å; Y295-L310 HydrophobicContact CD1-CD1 4.4Å; Y295-L310 HydrophobicContact CD1-CD2 3.33Å; Y295-L310 HydrophobicContact CD1-CG 3.87Å; Y295-L310 HydrophobicContact CE1-CD1 4.12Å; Y295-L310 HydrophobicContact CE1-CD2 3.87Å; Y295-L310 HydrophobicContact CE1-CG 3.88Å; Y295-L310 HydrophobicContact CG-CD2 4.24Å
296V98.6Very high98.1Very high6 Ų648.6 Ų48.64%0.03624%0.24CC..Hα-helixtrans-60.6-34.7177.4171.80000111.8L234 Q235 F292 L293 I294 T298 L299 L310L234-V296 HydrophobicContact CB-CG1 4.25Å; L234-V296 HydrophobicContact CB-CG2 3.72Å; Q235-V296 HydrophobicContact CB-CG1 3.99Å; F292-V296 HydrophobicContact CD1-CG2 4.03Å; F292-V296 HydrophobicContact CE1-CG2 3.69Å; F292-V296 HydrophobicContact CZ-CG2 4.25Å; F292-V296 WeakPolarHBondContact O-CG2 3.36Å; F292-V296 PolarHBondContact O-N 3.28Å; L293-V296 PolarHBondContact O-N 3.36Å; I294-V296 PolarHBondContact O-N 3.42Å; V296-T298 VanDerWaalsContact C-N 3.26Å; V296-T298 PolarHBondContact O-N 2.83Å; V296-L299 PolarHBondContact O-N 3.16Å; V296-L310 HydrophobicContact CG2-CD2 4.47Å
297R98.1Very high98.3Very high120 Ų12048.8 Ų48.845%0.45324%0.241SC..Hα-helixtrans-64.8-27.8176.6-171178.3177.9-172.9-2.8112.9M269 D270 L293 I294 Y295 L299M269-R297 HydrophobicContact CE-CB 3.77Å; M269-R297 HydrophobicContact CE-CG 4.21Å; M269-R297 WeakPolarHBondContact O-CD 3.27Å; M269-R297 VanDerWaalsContact O-CZ 3.29Å; M269-R297 PolarHBondContact O-NH1 3.27Å; D270-R297 VanDerWaalsContact C-NH1 3.35Å; D270-R297 VanDerWaalsContact CA-NH1 3.3Å; D270-R297 PolarHBondContact O-NH1 2.99Å; D270-R297 IonicContact OD1-CZ 2.63Å; D270-R297 IonicContact OD1-NH2 3.55Å; D270-R297 PolarHBondContact OD1-NH2 3.07Å; L293-R297 WeakPolarHBondContact O-CB 3.32Å; L293-R297 PolarHBondContact O-N 2.93Å; I294-R297 WeakPolarHBondContact O-CB 3.42Å; I294-R297 PolarHBondContact O-N 3.27Å; Y295-R297 PolarHBondContact O-N 2.89Å; R297-L299 VanDerWaalsContact C-N 3.28Å; R297-L299 PolarHBondContact O-N 2.92Å
298T98.3Very high98.4Very high95 Ų9552.4 Ų52.458%0.58325%0.253SS*.THydrogen-bonded Turntrans-79.7-8.2-179.764.60000113.7I294 Y295 V296I294-T298 PolarHBondContact O-N 3.1Å; Y295-T298 PolarHBondContact O-N 3.41Å; Y295-T298 PolarHBondContact O-OG1 3.43Å; V296-T298 VanDerWaalsContact C-N 3.26Å; V296-T298 PolarHBondContact O-N 2.83Å
299L98.7Very high98.4Very high9 Ų952.5 Ų52.55%0.04726%0.255CS..  trans-78.8124.9-177.6-65.1170.8000112R231 L234 Y295 V296 R297 D303 P305R231-L299 HydrophobicContact CB-CB 3.91Å; R231-L299 HydrophobicContact CB-CD1 4.05Å; R231-L299 VanDerWaalsContact CD-O 3.31Å; R231-L299 WeakPolarHBondContact CD-O 3.46Å; R231-L299 PolarHBondContact NH1-O 2.77Å; L234-L299 HydrophobicContact CD1-CD1 3.85Å; Y295-L299 HydrophobicContact CE1-CD1 4.22Å; Y295-L299 HydrophobicContact CE1-CD2 4.2Å; Y295-L299 HydrophobicContact CE1-CG 4.37Å; V296-L299 PolarHBondContact O-N 3.16Å; R297-L299 VanDerWaalsContact C-N 3.28Å; R297-L299 PolarHBondContact O-N 2.92Å; L299-D303 HydrophobicContact CB-CB 4.42Å; L299-D303 HydrophobicContact CD2-CB 3.96Å; L299-P305 HydrophobicContact CD1-CB 4.21Å; L299-P305 HydrophobicContact CD1-CG 4.07Å; L299-P305 HydrophobicContact CD2-CB 4.48Å
300D98.6Very high98.5Very high103 Ų10352.4 Ų52.455%0.55126%0.255SS*.  trans-68.1164.4163.9-75-39.2000111.1D302 D303D300-D302 PolarHBondContact O-N 3.22Å; D300-D303 HydrophobicContact CB-CB 4.48Å; D300-D303 PolarHBondContact N-OD2 2.96Å; D300-D303 PolarHBondContact O-N 3.36Å
301Y98.5Very high98.4Very high14 Ų1455 Ų556%0.05527%0.266CS..THydrogen-bonded Turntrans-62.8-34-170.1174.9-108.7000113.1H200 K201 Y203 V226 A227 S229 R231H200-Y301 AromaticContact CE1-CD1 3.95Å; H200-Y301 AromaticContact CE1-CE1 3.76Å; H200-Y301 PolarHBondContact CE1-O 3.31Å; K201-Y301 VanDerWaalsContact O-CE1 3.23Å; K201-Y301 WeakPolarHBondContact O-CE1 3.31Å; Y203-Y301 HydrophobicContact CD2-CD1 4.13Å; Y203-Y301 AromaticContact CD2-CD2 3.83Å; Y203-Y301 HydrophobicContact CD2-CD2 3.83Å; Y203-Y301 HydrophobicContact CD2-CE2 4.29Å; Y203-Y301 AromaticContact CD2-CG 3.74Å; Y203-Y301 HydrophobicContact CD2-CG 3.74Å; Y203-Y301 HydrophobicContact CG-CD1 4.43Å; Y203-Y301 HydrophobicContact CG-CG 4.44Å; V226-Y301 HydrophobicContact CG1-CD2 4.26Å; V226-Y301 HydrophobicContact CG1-CE2 3.49Å; V226-Y301 VanDerWaalsContact CG1-CE2 3.49Å; A227-Y301 WeakPolarHBondContact O-CE2 3.3Å; A227-Y301 PolarHBondContact O-OH 3.13Å; S229-Y301 WeakPolarHBondContact CB-O 3.26Å; S229-Y301 WeakPolarHBondContact OG-CD2 3.46Å; S229-Y301 WeakPolarHBondContact OG-CE2 3.48Å; S229-Y301 PolarHBondContact OG-O 3.47Å; R231-Y301 VanDerWaalsContact NH1-N 3.19Å
302D98.1Very high98.3Very high101 Ų10156 Ų5654%0.5427%0.271SS..THydrogen-bonded Turntrans-104.26.7-179.563.1-36.4000113.8R230 D300R230-D302 PolarHBondContact NH2-O 3.06Å; D300-D302 PolarHBondContact O-N 3.22Å
303D98.5Very high98.2Very high61 Ų6157.9 Ų57.933%0.32628%0.281SS..PPolyproline II helixtrans-63.4147.3176.3-87.6-19.3000112.4R230 L299 D300 P305R230-D303 PolarHBondContact NE-O 3.13Å; R230-D303 VanDerWaalsContact NH2-C 3.28Å; R230-D303 PolarHBondContact NH2-O 2.91Å; L299-D303 HydrophobicContact CB-CB 4.42Å; L299-D303 HydrophobicContact CD2-CB 3.96Å; D300-D303 HydrophobicContact CB-CB 4.48Å; D300-D303 PolarHBondContact N-OD2 2.96Å; D300-D303 PolarHBondContact O-N 3.36Å; D303-P305 WeakPolarHBondContact O-CD 3.44Å
304K98.6Very high98.1Very high118 Ų11857.8 Ų57.851%0.51328%0.28SS..PPolyproline II helixtrans-89.7116.3164.7178.4168.5171.6158.30108.5E160E160-K304 WeakPolarHBondContact OE1-CE 3.41Å; E160-K304 IonicContact OE1-NZ 3.96Å; E160-K304 PolarHBondContact OE1-NZ 3.16Å; E160-K304 IonicContact OE2-NZ 2.79Å; E160-K304 PolarHBondContact OE2-NZ 2.75Å
305P98.8Very high97.7Very high4 Ų459.5 Ų59.53%0.02629%0.29CS..PPolyproline II helixtrans-63.4149.4177.3-20.531.3000113.2R230 L234 L299 D303 Y307 L310R230-P305 HydrophobicContact CB-CG 3.99Å; L234-P305 HydrophobicContact CD1-CB 3.56Å; L234-P305 HydrophobicContact CD1-CG 3.46Å; L234-P305 VanDerWaalsContact CD1-CG 3.46Å; L299-P305 HydrophobicContact CD1-CB 4.21Å; L299-P305 HydrophobicContact CD1-CG 4.07Å; L299-P305 HydrophobicContact CD2-CB 4.48Å; D303-P305 WeakPolarHBondContact O-CD 3.44Å; P305-Y307 HydrophobicContact CB-CD1 4.35Å; P305-Y307 HydrophobicContact CB-CE1 3.99Å; P305-Y307 HydrophobicContact CB-CE2 4.3Å; P305-Y307 WeakPolarHBondContact CD-OH 3.34Å; P305-Y307 HydrophobicContact CG-CE1 4.12Å; P305-Y307 WeakPolarHBondContact O-CD2 3.39Å; P305-Y307 VanDerWaalsContact O-CE2 3.27Å; P305-Y307 WeakPolarHBondContact O-CE2 3.19Å; P305-Y307 PolarHBondContact O-N 2.79Å; P305-L310 HydrophobicContact CB-CD1 4.32Å
306D98.7Very high96.7Very high77 Ų7758.5 Ų58.541%0.41229%0.288SS..  trans-82.884.4165.3-170.5-20.9000109Y295 K308 L309 L310Y295-D306 WeakPolarHBondContact OH-CB 3.26Å; Y295-D306 PolarHBondContact OH-N 3.38Å; D306-K308 PolarHBondContact O-N 3.33Å; D306-K308 WeakPolarHBondContact OD1-CB 3.35Å; D306-K308 PolarHBondContact OD1-N 3.17Å; D306-L309 HydrophobicContact CB-CB 4.03Å; D306-L309 PolarHBondContact O-N 2.98Å; D306-L309 PolarHBondContact OD1-N 2.85Å; D306-L310 WeakPolarHBondContact O-CG 3.36Å; D306-L310 PolarHBondContact O-N 3.08Å; D306-L310 VanDerWaalsContact O-N 3.12Å
307Y98.6Very high95.3Very high5 Ų570.5 Ų70.52%0.0233%0.333CS..Hα-helixtrans-61.5-24.6178.3-54.6-81.4000113V152 E156 H159 P305 K311V152-Y307 HydrophobicContact CG1-CD1 4.13Å; E156-Y307 HydrophobicContact CB-CD1 3.73Å; E156-Y307 HydrophobicContact CB-CD2 3.99Å; E156-Y307 HydrophobicContact CB-CE1 4.11Å; E156-Y307 HydrophobicContact CB-CE2 4.33Å; E156-Y307 HydrophobicContact CB-CG 3.66Å; E156-Y307 HydrophobicContact CG-CD1 4.22Å; E156-Y307 HydrophobicContact CG-CD2 3.5Å; E156-Y307 HydrophobicContact CG-CE2 3.88Å; E156-Y307 HydrophobicContact CG-CG 3.68Å; H159-Y307 WeakPolarHBondContact CB-OH 3.17Å; H159-Y307 AromaticContact ND1-CE1 3.53Å; H159-Y307 AromaticContact ND1-CZ 3.55Å; H159-Y307 PolarHBondContact ND1-OH 3.49Å; P305-Y307 HydrophobicContact CB-CD1 4.35Å; P305-Y307 HydrophobicContact CB-CE1 3.99Å; P305-Y307 HydrophobicContact CB-CE2 4.3Å; P305-Y307 WeakPolarHBondContact CD-OH 3.34Å; P305-Y307 HydrophobicContact CG-CE1 4.12Å; P305-Y307 WeakPolarHBondContact O-CD2 3.39Å; P305-Y307 VanDerWaalsContact O-CE2 3.27Å; P305-Y307 WeakPolarHBondContact O-CE2 3.19Å; P305-Y307 PolarHBondContact O-N 2.79Å; Y307-K311 VanDerWaalsContact O-CG 3.3Å; Y307-K311 WeakPolarHBondContact O-CG 3.24Å; Y307-K311 PolarHBondContact O-N 3.25Å; Y307-K311 VanDerWaalsContact O-N 3.11Å
308K98Very high93.8Very high145 Ų14569.1 Ų69.163%0.6334%0.338SS*.Hα-helixtrans-70.8-49.2178-177.9-175.7166.8-166.80109.7D306 L310 K311 E312D306-K308 PolarHBondContact O-N 3.33Å; D306-K308 WeakPolarHBondContact OD1-CB 3.35Å; D306-K308 PolarHBondContact OD1-N 3.17Å; K308-L310 VanDerWaalsContact C-N 3.32Å; K308-L310 PolarHBondContact O-N 3.05Å; K308-K311 PolarHBondContact O-N 3.07Å; K308-K311 VanDerWaalsContact O-N 3.14Å; K308-E312 WeakPolarHBondContact CE-OE1 3.46Å; K308-E312 IonicContact NZ-OE1 3.93Å; K308-E312 WeakPolarHBondContact O-CG 3.48Å; K308-E312 PolarHBondContact O-N 3.11Å
309L98.3Very high91.8Very high55 Ų5573.7 Ų73.729%0.28835%0.349SS..Hα-helixtrans-56.3-47174.4174.760.9000111.2Y295 D306 K311 E312 L313Y295-L309 HydrophobicContact CD2-CD2 3.54Å; Y295-L309 HydrophobicContact CE2-CD2 3.7Å; Y295-L309 HydrophobicContact CG-CD2 4.18Å; D306-L309 HydrophobicContact CB-CB 4.03Å; D306-L309 PolarHBondContact O-N 2.98Å; D306-L309 PolarHBondContact OD1-N 2.85Å; L309-K311 VanDerWaalsContact C-N 3.26Å; L309-K311 PolarHBondContact O-N 3.43Å; L309-E312 WeakPolarHBondContact O-CB 3.31Å; L309-E312 PolarHBondContact O-N 2.92Å; L309-L313 HydrophobicContact CD1-CD1 4.42Å; L309-L313 HydrophobicContact CD1-CD2 4.45Å; L309-L313 HydrophobicContact CD1-CG 4.15Å; L309-L313 HydrophobicContact CG-CD1 4.24Å; L309-L313 HydrophobicContact CG-CG 4.4Å; L309-L313 WeakPolarHBondContact O-CG 3.33Å; L309-L313 PolarHBondContact O-N 3.39Å
310L98.4Very high90Very high0 Ų082.8 Ų82.80%039%0.392CS..Hα-helixtrans-56.2-39.6177.5-71.1173.9000112.7V152 L234 F292 Y295 V296 P305 D306 K308 L314V152-L310 HydrophobicContact CG1-CB 4.14Å; V152-L310 HydrophobicContact CG2-CB 4.31Å; L234-L310 HydrophobicContact CD1-CD1 3.63Å; L234-L310 HydrophobicContact CD2-CD1 3.68Å; L234-L310 HydrophobicContact CG-CD1 4.29Å; F292-L310 HydrophobicContact CD2-CD2 3.59Å; F292-L310 HydrophobicContact CE2-CB 4.17Å; F292-L310 HydrophobicContact CE2-CD2 3.52Å; F292-L310 HydrophobicContact CE2-CG 4.29Å; F292-L310 HydrophobicContact CG-CD2 4.25Å; F292-L310 HydrophobicContact CZ-CD2 4.12Å; Y295-L310 HydrophobicContact CD1-CD1 4.4Å; Y295-L310 HydrophobicContact CD1-CD2 3.33Å; Y295-L310 HydrophobicContact CD1-CG 3.87Å; Y295-L310 HydrophobicContact CE1-CD1 4.12Å; Y295-L310 HydrophobicContact CE1-CD2 3.87Å; Y295-L310 HydrophobicContact CE1-CG 3.88Å; Y295-L310 HydrophobicContact CG-CD2 4.24Å; V296-L310 HydrophobicContact CG2-CD2 4.47Å; P305-L310 HydrophobicContact CB-CD1 4.32Å; D306-L310 WeakPolarHBondContact O-CG 3.36Å; D306-L310 PolarHBondContact O-N 3.08Å; D306-L310 VanDerWaalsContact O-N 3.12Å; K308-L310 VanDerWaalsContact C-N 3.32Å; K308-L310 PolarHBondContact O-N 3.05Å; L310-L314 VanDerWaalsContact O-CG 3.32Å; L310-L314 WeakPolarHBondContact O-CG 3.5Å; L310-L314 PolarHBondContact O-N 2.81Å
311K96.9Very high88.6Confident54 Ų5479.3 Ų79.324%0.23538%0.38CS..Hα-helixtrans-71.8-32.5175.9-73.5178.264.9171.10113.3V152 D153 Y307 K308 L309 D315V152-K311 HydrophobicContact CB-CG 4Å; V152-K311 HydrophobicContact CG1-CD 4.23Å; V152-K311 HydrophobicContact CG1-CG 3.66Å; D153-K311 WeakPolarHBondContact OD1-CD 3.37Å; D153-K311 WeakPolarHBondContact OD1-CE 3.26Å; D153-K311 IonicContact OD1-NZ 2.91Å; D153-K311 PolarHBondContact OD1-NZ 2.98Å; D153-K311 IonicContact OD2-NZ 2.64Å; D153-K311 PolarHBondContact OD2-NZ 2.99Å; Y307-K311 VanDerWaalsContact O-CG 3.3Å; Y307-K311 WeakPolarHBondContact O-CG 3.24Å; Y307-K311 PolarHBondContact O-N 3.25Å; Y307-K311 VanDerWaalsContact O-N 3.11Å; K308-K311 PolarHBondContact O-N 3.07Å; K308-K311 VanDerWaalsContact O-N 3.14Å; L309-K311 VanDerWaalsContact C-N 3.26Å; L309-K311 PolarHBondContact O-N 3.43Å; K311-D315 PolarHBondContact O-N 3.18Å
312E96.4Very high87.8Confident111 Ų11179.3 Ų79.352%0.51938%0.381SS..Hα-helixtrans-69.5-41.3175.4-72.2173.4177.400111.1K308 L309 L314 D315K308-E312 WeakPolarHBondContact CE-OE1 3.46Å; K308-E312 IonicContact NZ-OE1 3.93Å; K308-E312 WeakPolarHBondContact O-CG 3.48Å; K308-E312 PolarHBondContact O-N 3.11Å; L309-E312 WeakPolarHBondContact O-CB 3.31Å; L309-E312 PolarHBondContact O-N 2.92Å; E312-L314 PolarHBondContact O-N 2.99Å; E312-D315 VanDerWaalsContact O-CB 3.31Å; E312-D315 WeakPolarHBondContact O-CB 3.34Å; E312-D315 PolarHBondContact O-N 3.21Å; E312-D315 VanDerWaalsContact O-N 3.12Å
313L96.6Very high87.2Confident41 Ų4177.3 Ų77.322%0.21537%0.37CS..Hα-helixtrans-60.9-34.9174-68.1176000112.3E288 E291 L309 D315E288-L313 WeakPolarHBondContact CB-O 3.4Å; E291-L313 HydrophobicContact CB-CD1 4.41Å; E291-L313 HydrophobicContact CB-CD2 3.91Å; L309-L313 HydrophobicContact CD1-CD1 4.42Å; L309-L313 HydrophobicContact CD1-CD2 4.45Å; L309-L313 HydrophobicContact CD1-CG 4.15Å; L309-L313 HydrophobicContact CG-CD1 4.24Å; L309-L313 HydrophobicContact CG-CG 4.4Å; L309-L313 WeakPolarHBondContact O-CG 3.33Å; L309-L313 PolarHBondContact O-N 3.39Å; L313-D315 VanDerWaalsContact C-N 3.32Å
314L95.7Very high86.4Confident0 Ų075.9 Ų75.90%036%0.363CS..THydrogen-bonded Turntrans-89.99.2178.9-63.1172.2000113.3L145 K149 V152 L241 L289 F292 L310 E312L145-L314 HydrophobicContact CD2-CD2 3.74Å; K149-L314 WeakPolarHBondContact CD-O 3.38Å; K149-L314 HydrophobicContact CG-CB 3.68Å; V152-L314 HydrophobicContact CG2-CD1 4.1Å; L241-L314 HydrophobicContact CD1-CD1 4.34Å; L241-L314 HydrophobicContact CD1-CD2 4.13Å; L289-L314 HydrophobicContact CD2-CD2 3.87Å; F292-L314 HydrophobicContact CD2-CD1 3.74Å; F292-L314 HydrophobicContact CD2-CD2 4.09Å; F292-L314 HydrophobicContact CD2-CG 3.89Å; F292-L314 HydrophobicContact CE2-CD1 3.72Å; F292-L314 HydrophobicContact CE2-CG 4.39Å; L310-L314 VanDerWaalsContact O-CG 3.32Å; L310-L314 WeakPolarHBondContact O-CG 3.5Å; L310-L314 PolarHBondContact O-N 2.81Å; E312-L314 PolarHBondContact O-N 2.99Å
315D89.7Confident85.1Confident90 Ų9075.7 Ų75.748%0.48138%0.376SS..  trans-73131.9-177.5-161.725.6000112.4K149 K311 E312 L313K149-D315 IonicContact NZ-OD1 3.92Å; K149-D315 PolarHBondContact NZ-OD1 2.83Å; K311-D315 PolarHBondContact O-N 3.18Å; E312-D315 VanDerWaalsContact O-CB 3.31Å; E312-D315 WeakPolarHBondContact O-CB 3.34Å; E312-D315 PolarHBondContact O-N 3.21Å; E312-D315 VanDerWaalsContact O-N 3.12Å; L313-D315 VanDerWaalsContact C-N 3.32Å
316C79.6Confident84.4Confident19 Ų1979.3 Ų79.313%0.12839%0.394CS..  trans-121.2131.5174.769.90000109.5L145 V318L145-C316 HydrophobicContact CB-CB 4.39Å; L145-C316 HydrophobicContact CD1-CB 4.08Å; C316-V318 PolarHBondContact O-N 3.07Å
317R68.5Low83.7Confident259 Ų25979.4 Ų79.498%0.97739%0.393SS*.SBendtrans-71.822.8-175.1-62.9-173.8179.7-174.30.9115.1
318V65.4Low82.9Confident90 Ų9083.5 Ų83.555%0.54541%0.413SS..SBendtrans-104.8148-175.8-1740000110.2T142 C316T142-V318 HydrophobicContact CG2-CG2 3.96Å; C316-V318 PolarHBondContact O-N 3.07Å
319K57.4Low82Confident191 Ų19179.9 Ų79.983%0.8340%0.401SS*.  trans-53.2151.7179.3-77.4-177.1174.6-179.40112.8G321K319-G321 PolarHBondContact O-N 2.96Å
320E61Low81Confident201 Ų20181.4 Ų81.494%0.93941%0.408SS*.SBendtrans-58.4126.8179.7-64-179.6152.700111.9
321G69.9Low79.8Confident30 Ų3086.9 Ų86.931%0.30944%0.435SS..  trans149135.3176.700000110.9Q146 K319Q146-G321 PolarHBondContact NE2-O 3Å; Q146-G321 PolarHBondContact OE1-O 2.8Å; K319-G321 PolarHBondContact O-N 2.96Å
322L81.3Confident78.6Confident13 Ų1389.2 Ų89.27%0.06845%0.449CS..  trans-88.3115.2179.1-79.5170.5000109.5T143 Q146 L147 D181 V183 L324T143-L322 HydrophobicContact CG2-CD2 4.13Å; Q146-L322 HydrophobicContact CB-CD2 3.73Å; L147-L322 HydrophobicContact CD2-CD1 4.12Å; L147-L322 HydrophobicContact CD2-CD2 4.1Å; L147-L322 HydrophobicContact CG-CD2 3.97Å; D181-L322 PolarHBondContact OD1-N 3.08Å; V183-L322 HydrophobicContact CB-CD1 4.5Å; V183-L322 HydrophobicContact CG2-CD1 3.36Å; L322-L324 HydrophobicContact CB-CD2 4.37Å; L322-L324 HydrophobicContact CB-CG 4.17Å; L322-L324 PolarHBondContact O-N 3.03Å; L322-L324 VanDerWaalsContact O-N 3.1Å
323D84.9Confident77.2Confident59 Ų5987.5 Ų87.532%0.31644%0.444SS..  trans-80.994.4172.5-174-1.8000110.1K140 T143 S325K140-D323 HydrophobicContact CD-CB 4.41Å; K140-D323 WeakPolarHBondContact CD-OD2 3.48Å; K140-D323 WeakPolarHBondContact CE-OD2 3.42Å; K140-D323 IonicContact NZ-OD1 2.7Å; K140-D323 PolarHBondContact NZ-OD1 2.94Å; K140-D323 VanDerWaalsContact NZ-OD1 3.13Å; K140-D323 IonicContact NZ-OD2 3.47Å; K140-D323 PolarHBondContact NZ-OD2 3.08Å; T143-D323 WeakPolarHBondContact CB-O 3.28Å; T143-D323 VanDerWaalsContact CG2-O 3.24Å; T143-D323 WeakPolarHBondContact CG2-O 3.42Å; T143-D323 PolarHBondContact OG1-O 3.39Å; D323-S325 VanDerWaalsContact C-N 3.35Å; D323-S325 WeakPolarHBondContact OD1-CB 3.39Å; D323-S325 PolarHBondContact OD1-N 3.06Å; D323-S325 PolarHBondContact OD1-OG 3.04Å
324L82.6Confident75.6Confident32 Ų3291.4 Ų91.417%0.16846%0.463CS..  trans-94.27.6177.2-59.3178.3000112.8L128 V131 N135 T143 L175 L322L128-L324 HydrophobicContact CD1-CD2 4.02Å; V131-L324 HydrophobicContact CG1-CB 3.97Å; V131-L324 HydrophobicContact CG1-CD2 4.24Å; N135-L324 PolarHBondContact ND2-O 3.39Å; N135-L324 VanDerWaalsContact ND2-O 3.08Å; T143-L324 HydrophobicContact CG2-CD2 3.85Å; L175-L324 HydrophobicContact CD1-CD1 3.7Å; L175-L324 HydrophobicContact CD2-CD1 3.61Å; L175-L324 HydrophobicContact CG-CD1 4.33Å; L322-L324 HydrophobicContact CB-CD2 4.37Å; L322-L324 HydrophobicContact CB-CG 4.17Å; L322-L324 PolarHBondContact O-N 3.03Å; L322-L324 VanDerWaalsContact O-N 3.1Å
325S70.9Confident73.8Confident113 Ų11399.7 Ų99.779%0.7951%0.505SS*.  trans-880-177.371.90000115.3N135 K140 D323N135-S325 PolarHBondContact OD1-OXT 2.87Å; K140-S325 PolarHBondContact NZ-O 3.3Å; K140-S325 PolarHBondContact NZ-OG 2.98Å; D323-S325 VanDerWaalsContact C-N 3.35Å; D323-S325 WeakPolarHBondContact OD1-CB 3.39Å; D323-S325 PolarHBondContact OD1-N 3.06Å; D323-S325 PolarHBondContact OD1-OG 3.04Å

Retrieved 325 of 325 residues in 88.6 ms (Link to these results)

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