A0A061IJ61_CRIGR Loading...

SEC14-like lipid binding 2

AlphaFold DB , UniProt , Accession A0A061IJ61, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Sec14l2, Length 403 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
1M87.6Confident96.2Very high133 Ų13372.5 Ų72.566%0.65542%0.418SS*.  0121.80-50.3-45.6-80.700108.7G3 D7 L8M1-G3 VanDerWaalsContact C-N 3.32Å; M1-D7 VanDerWaalsContact CA-OD1 3.27Å; M1-D7 WeakPolarHBondContact CA-OD1 3.42Å; M1-D7 WeakPolarHBondContact CB-O 3.21Å; M1-D7 HydrophobicContact CE-CB 4.48Å; M1-D7 WeakPolarHBondContact CE-OD1 3.44Å; M1-L8 WeakPolarHBondContact CE-O 3.14Å
2S94.2Very high96.3Very high52 Ų5268.9 Ų68.936%0.36439%0.394SS..  trans-80.9-7.3-173.564.10000114.3R4 D7S2-R4 VanDerWaalsContact C-N 3.33Å; S2-D7 WeakPolarHBondContact CA-OD2 3.14Å; S2-D7 WeakPolarHBondContact CB-OD2 3.38Å; S2-D7 PolarHBondContact N-O 2.92Å; S2-D7 PolarHBondContact N-OD2 3.37Å; S2-D7 PolarHBondContact OG-OD2 2.82Å
3G96.5Very high96.5Very high0 Ų072 Ų720%040%0.403CS..SBendtrans74.226-176.200000112.9M1 D7 R43M1-G3 VanDerWaalsContact C-N 3.32Å; G3-D7 PolarHBondContact N-O 2.96Å; G3-R43 WeakPolarHBondContact O-CD 3.45Å; G3-R43 PolarHBondContact O-NH1 3.17Å
4R97.4Very high96.6Very high92 Ų9274.2 Ų74.235%0.34741%0.409SS..BIsolated β-bridgetrans-112.6157.4174.3-72.4176.6168.571.37109.9S2 G6 D7 L8 E184S2-R4 VanDerWaalsContact C-N 3.33Å; R4-G6 PolarHBondContact O-N 2.95Å; R4-D7 CarbonylContact O-C 3.52Å; R4-D7 WeakPolarHBondContact O-CA 3.48Å; R4-D7 PolarHBondContact O-N 3.45Å; R4-L8 WeakPolarHBondContact O-CD2 3.38Å; R4-L8 WeakPolarHBondContact O-CG 3.46Å; R4-L8 PolarHBondContact O-N 2.94Å; R4-E184 IonicContact NH2-OE2 2.63Å
5V96.6Very high96.7Very high53 Ų5370.3 Ų70.332%0.32139%0.39SS..THydrogen-bonded Turntrans-53.8132.8176.3-179.40000109.7D7 D35 Y36 L39V5-D7 VanDerWaalsContact C-N 3.27Å; V5-D7 PolarHBondContact O-N 3.31Å; V5-D35 HydrophobicContact CG2-CB 3.83Å; V5-Y36 HydrophobicContact CB-CD1 4.11Å; V5-Y36 HydrophobicContact CB-CE1 3.52Å; V5-Y36 HydrophobicContact CB-CE2 4.42Å; V5-Y36 HydrophobicContact CG1-CE1 4.23Å; V5-Y36 HydrophobicContact CG1-CE2 4.45Å; V5-Y36 HydrophobicContact CG2-CD1 3.58Å; V5-Y36 HydrophobicContact CG2-CD2 4.09Å; V5-Y36 HydrophobicContact CG2-CE1 3.49Å; V5-Y36 VanDerWaalsContact CG2-CE1 3.49Å; V5-Y36 HydrophobicContact CG2-CE2 3.99Å; V5-Y36 HydrophobicContact CG2-CG 3.89Å; V5-L39 HydrophobicContact CG2-CD1 3.72Å
6G96.3Very high96.8Very high83 Ų8366.6 Ų66.686%0.85637%0.369SS*.THydrogen-bonded Turntrans81.7-6.1-174.500000115.3R4R4-G6 PolarHBondContact O-N 2.95Å
7D97.4Very high96.9Very high57 Ų5766.3 Ų66.331%0.30538%0.378SS..BIsolated β-bridgetrans-142.850.2179-176.131.2000110.8M1 S2 G3 R4 V5M1-D7 VanDerWaalsContact CA-OD1 3.27Å; M1-D7 WeakPolarHBondContact CA-OD1 3.42Å; M1-D7 WeakPolarHBondContact CB-O 3.21Å; M1-D7 HydrophobicContact CE-CB 4.48Å; M1-D7 WeakPolarHBondContact CE-OD1 3.44Å; S2-D7 WeakPolarHBondContact CA-OD2 3.14Å; S2-D7 WeakPolarHBondContact CB-OD2 3.38Å; S2-D7 PolarHBondContact N-O 2.92Å; S2-D7 PolarHBondContact N-OD2 3.37Å; S2-D7 PolarHBondContact OG-OD2 2.82Å; G3-D7 PolarHBondContact N-O 2.96Å; R4-D7 CarbonylContact O-C 3.52Å; R4-D7 WeakPolarHBondContact O-CA 3.48Å; R4-D7 PolarHBondContact O-N 3.45Å; V5-D7 VanDerWaalsContact C-N 3.27Å; V5-D7 PolarHBondContact O-N 3.31Å
8L97.7Very high97Very high22 Ų2267.7 Ų67.712%0.11538%0.379CS..  trans-98.8140.3173.2-59.4-177000110.6M1 R4 Q12 E13 L16 L39M1-L8 WeakPolarHBondContact CE-O 3.14Å; R4-L8 WeakPolarHBondContact O-CD2 3.38Å; R4-L8 WeakPolarHBondContact O-CG 3.46Å; R4-L8 PolarHBondContact O-N 2.94Å; L8-Q12 HydrophobicContact CB-CB 4.22Å; L8-Q12 HydrophobicContact CD2-CB 4.2Å; L8-E13 HydrophobicContact CB-CG 3.56Å; L8-E13 HydrophobicContact CD1-CG 3.91Å; L8-E13 HydrophobicContact CG-CG 4.38Å; L8-L16 HydrophobicContact CD1-CD2 3.98Å; L8-L39 HydrophobicContact CD1-CD1 4.32Å; L8-L39 HydrophobicContact CD1-CD2 4.46Å; L8-L39 HydrophobicContact CD2-CD1 4.08Å; L8-L39 HydrophobicContact CD2-CD2 3.86Å
9S98.1Very high97.1Very high30 Ų3064.2 Ų64.221%0.2136%0.359CS..  trans-78.1160.1164.362.70000110.6K11 Q12 E13S9-K11 PolarHBondContact O-N 3.16Å; S9-K11 VanDerWaalsContact O-N 3.11Å; S9-Q12 WeakPolarHBondContact O-CA 3.42Å; S9-Q12 WeakPolarHBondContact O-CB 3.34Å; S9-Q12 PolarHBondContact O-N 3.11Å; S9-Q12 VanDerWaalsContact OG-CG 3.32Å; S9-Q12 WeakPolarHBondContact OG-CG 3.34Å; S9-Q12 PolarHBondContact OG-N 2.9Å; S9-Q12 PolarHBondContact OG-OE1 3.17Å; S9-E13 PolarHBondContact O-N 3.25Å
10P98.2Very high97.2Very high105 Ų10564.7 Ų64.768%0.68236%0.355SS*.Hα-helixtrans-53.3-36.8177.4-2935.5000113.7Q12 E13 E14P10-Q12 PolarHBondContact O-N 2.6Å; P10-E13 PolarHBondContact O-N 3.43Å; P10-E14 WeakPolarHBondContact O-CB 3.19Å; P10-E14 PolarHBondContact O-N 3.33Å
11K97.8Very high97.2Very high170 Ų17067.6 Ų67.674%0.73937%0.366SS*.Hα-helixtrans-65.9-35.7175-69.7-172.9176.2-176.70113S9 A15S9-K11 PolarHBondContact O-N 3.16Å; S9-K11 VanDerWaalsContact O-N 3.11Å; K11-A15 VanDerWaalsContact O-CB 3.29Å; K11-A15 WeakPolarHBondContact O-CB 3.43Å; K11-A15 PolarHBondContact O-N 2.92Å
12Q98.3Very high97.8Very high30 Ų3064.4 Ų64.414%0.1435%0.352CS..Hα-helixtrans-75.6-35.9178.7-71.6168.3-44.800111.6L8 S9 P10 A15 L16 F47L8-Q12 HydrophobicContact CB-CB 4.22Å; L8-Q12 HydrophobicContact CD2-CB 4.2Å; S9-Q12 WeakPolarHBondContact O-CA 3.42Å; S9-Q12 WeakPolarHBondContact O-CB 3.34Å; S9-Q12 PolarHBondContact O-N 3.11Å; S9-Q12 VanDerWaalsContact OG-CG 3.32Å; S9-Q12 WeakPolarHBondContact OG-CG 3.34Å; S9-Q12 PolarHBondContact OG-N 2.9Å; S9-Q12 PolarHBondContact OG-OE1 3.17Å; P10-Q12 PolarHBondContact O-N 2.6Å; Q12-A15 PolarHBondContact O-N 3.19Å; Q12-L16 WeakPolarHBondContact O-CB 3.19Å; Q12-L16 PolarHBondContact O-N 3.09Å; Q12-F47 HydrophobicContact CB-CD1 4.12Å; Q12-F47 HydrophobicContact CB-CE1 3.63Å; Q12-F47 HydrophobicContact CB-CZ 4.03Å; Q12-F47 HydrophobicContact CG-CD1 3.86Å; Q12-F47 HydrophobicContact CG-CD2 4.23Å; Q12-F47 HydrophobicContact CG-CE1 3.6Å; Q12-F47 HydrophobicContact CG-CE2 4Å; Q12-F47 HydrophobicContact CG-CG 4.18Å; Q12-F47 HydrophobicContact CG-CZ 3.68Å; Q12-F47 VanDerWaalsContact NE2-CE2 3.28Å
13E98.1Very high98Very high109 Ų10962 Ų6251%0.50934%0.335SS..Hα-helixtrans-62.6-46.9172.4-66.7178.6166.400111L8 S9 P10 A15 L16 A17L8-E13 HydrophobicContact CB-CG 3.56Å; L8-E13 HydrophobicContact CD1-CG 3.91Å; L8-E13 HydrophobicContact CG-CG 4.38Å; S9-E13 PolarHBondContact O-N 3.25Å; P10-E13 PolarHBondContact O-N 3.43Å; E13-A15 PolarHBondContact O-N 2.99Å; E13-L16 PolarHBondContact O-N 2.52Å; E13-A17 PolarHBondContact O-N 3.48Å
14E98.3Very high98Very high103 Ų10368.1 Ų68.148%0.48136%0.363SS..Hα-helixtrans-60.8-44.4175.3-171.3-170.5168.400111.7P10 L16 A17 K18P10-E14 WeakPolarHBondContact O-CB 3.19Å; P10-E14 PolarHBondContact O-N 3.33Å; E14-L16 PolarHBondContact O-N 3.25Å; E14-A17 PolarHBondContact O-N 3.04Å; E14-K18 HydrophobicContact CG-CD 4.26Å; E14-K18 WeakPolarHBondContact O-CB 3.32Å; E14-K18 WeakPolarHBondContact O-CG 3.37Å; E14-K18 PolarHBondContact O-N 3.2Å; E14-K18 WeakPolarHBondContact OE1-CE 3.3Å; E14-K18 IonicContact OE1-NZ 3.47Å; E14-K18 PolarHBondContact OE1-NZ 3.19Å
15A98.5Very high98Very high15 Ų1568.1 Ų68.112%0.12437%0.37CS..Hα-helixtrans-62.8-40.6176.700000112K11 Q12 E13 F19 F47 L49K11-A15 VanDerWaalsContact O-CB 3.29Å; K11-A15 WeakPolarHBondContact O-CB 3.43Å; K11-A15 PolarHBondContact O-N 2.92Å; Q12-A15 PolarHBondContact O-N 3.19Å; E13-A15 PolarHBondContact O-N 2.99Å; A15-F19 WeakPolarHBondContact O-CB 3.49Å; A15-F19 PolarHBondContact O-N 2.68Å; A15-F47 HydrophobicContact CB-CD1 4.06Å; A15-L49 HydrophobicContact CB-CD2 4.19Å; A15-L49 WeakPolarHBondContact O-CD2 3.26Å
16L98.7Very high98.1Very high11 Ų1166.3 Ų66.36%0.05836%0.359CS..Hα-helixtrans-63.3-44.5176.2175.460.9000111.8L8 Q12 E13 E14 F19 R20 D35 L38 L39 L42L8-L16 HydrophobicContact CD1-CD2 3.98Å; Q12-L16 WeakPolarHBondContact O-CB 3.19Å; Q12-L16 PolarHBondContact O-N 3.09Å; E13-L16 PolarHBondContact O-N 2.52Å; E14-L16 PolarHBondContact O-N 3.25Å; L16-F19 PolarHBondContact O-N 2.51Å; L16-R20 WeakPolarHBondContact O-CB 3.39Å; L16-R20 PolarHBondContact O-N 2.94Å; L16-D35 HydrophobicContact CD2-CB 4.08Å; L16-L38 HydrophobicContact CD1-CB 3.72Å; L16-L38 HydrophobicContact CD1-CD1 4.15Å; L16-L39 HydrophobicContact CB-CD2 4.43Å; L16-L39 HydrophobicContact CD1-CD2 4.21Å; L16-L39 HydrophobicContact CD1-CG 4.11Å; L16-L39 HydrophobicContact CD2-CD1 4.24Å; L16-L39 HydrophobicContact CD2-CD2 4.13Å; L16-L39 HydrophobicContact CD2-CG 4.11Å; L16-L39 HydrophobicContact CG-CD2 4.5Å; L16-L42 HydrophobicContact CB-CD1 4.19Å; L16-L42 HydrophobicContact CD1-CD1 3.9Å
17A98.4Very high98.1Very high62 Ų6263.4 Ų63.451%0.51232%0.324SS..Hα-helixtrans-61.3-50177.600000111.6E13 E14 F19 R20 E21E13-A17 PolarHBondContact O-N 3.48Å; E14-A17 PolarHBondContact O-N 3.04Å; A17-F19 VanDerWaalsContact C-N 3.34Å; A17-F19 PolarHBondContact O-N 3.22Å; A17-R20 PolarHBondContact O-N 3.44Å; A17-E21 PolarHBondContact O-N 3.28Å; A17-E21 VanDerWaalsContact O-N 3.11Å
18K98.5Very high98.1Very high92 Ų9266.1 Ų66.140%0.435%0.345SS..Hα-helixtrans-60.9-42.7175.9-74.5175.6171.7173.40112.2E14 R20 E21 N22 L49E14-K18 HydrophobicContact CG-CD 4.26Å; E14-K18 WeakPolarHBondContact O-CB 3.32Å; E14-K18 WeakPolarHBondContact O-CG 3.37Å; E14-K18 PolarHBondContact O-N 3.2Å; E14-K18 WeakPolarHBondContact OE1-CE 3.3Å; E14-K18 IonicContact OE1-NZ 3.47Å; E14-K18 PolarHBondContact OE1-NZ 3.19Å; K18-R20 VanDerWaalsContact C-N 3.35Å; K18-R20 PolarHBondContact O-N 2.98Å; K18-E21 PolarHBondContact O-N 3.06Å; K18-N22 VanDerWaalsContact O-CG 3.26Å; K18-N22 PolarHBondContact O-N 2.92Å; K18-N22 PolarHBondContact O-OD1 3.44Å; K18-L49 HydrophobicContact CB-CD1 4.14Å; K18-L49 HydrophobicContact CD-CD1 4.45Å
19F98.7Very high97.9Very high0 Ų068.9 Ų68.90%036%0.363CS..Hα-helixtrans-61.4-45.6178.7-175-120.4000111.5A15 L16 A17 E21 N22 V23 L38 W41 L42 L49 E53 L56A15-F19 WeakPolarHBondContact O-CB 3.49Å; A15-F19 PolarHBondContact O-N 2.68Å; L16-F19 PolarHBondContact O-N 2.51Å; A17-F19 VanDerWaalsContact C-N 3.34Å; A17-F19 PolarHBondContact O-N 3.22Å; F19-E21 VanDerWaalsContact C-N 3.31Å; F19-E21 PolarHBondContact O-N 3.4Å; F19-N22 PolarHBondContact O-N 3.3Å; F19-V23 HydrophobicContact CD2-CG1 4.24Å; F19-V23 HydrophobicContact CE2-CG1 3.78Å; F19-V23 HydrophobicContact CZ-CG1 4.05Å; F19-V23 VanDerWaalsContact O-CG2 3.31Å; F19-V23 WeakPolarHBondContact O-CG2 3.48Å; F19-V23 PolarHBondContact O-N 3.09Å; F19-V23 VanDerWaalsContact O-N 3.13Å; F19-L38 HydrophobicContact CD1-CB 4.15Å; F19-L38 HydrophobicContact CD1-CD2 4.27Å; F19-L38 HydrophobicContact CE1-CB 4.25Å; F19-L38 HydrophobicContact CE1-CD2 3.93Å; F19-W41 HydrophobicContact CE1-CB 4.27Å; F19-W41 HydrophobicContact CZ-CB 4.22Å; F19-L42 HydrophobicContact CB-CD1 4.14Å; F19-L42 HydrophobicContact CB-CD2 4.01Å; F19-L42 HydrophobicContact CB-CG 4.43Å; F19-L42 HydrophobicContact CD1-CD1 3.88Å; F19-L42 HydrophobicContact CD1-CD2 4.08Å; F19-L42 HydrophobicContact CD1-CG 3.81Å; F19-L42 HydrophobicContact CD2-CD2 4.18Å; F19-L42 HydrophobicContact CE1-CG 4.25Å; F19-L42 HydrophobicContact CG-CD1 4.2Å; F19-L42 HydrophobicContact CG-CD2 3.82Å; F19-L42 HydrophobicContact CG-CG 4.08Å; F19-L49 HydrophobicContact CB-CD2 3.82Å; F19-L49 HydrophobicContact CD2-CD2 4.36Å; F19-L49 HydrophobicContact CG-CD2 4.49Å; F19-E53 HydrophobicContact CE2-CB 3.93Å; F19-L56 HydrophobicContact CE1-CD2 4.2Å; F19-L56 HydrophobicContact CZ-CB 4.33Å; F19-L56 HydrophobicContact CZ-CD2 3.91Å
20R98.6Very high97.8Very high75 Ų7568 Ų6828%0.28336%0.356SS..Hα-helixtrans-58.8-41.5176.6-177.3178.1-71-72.31.5112L16 A17 K18 Q24 L27 P33 D35 L38L16-R20 WeakPolarHBondContact O-CB 3.39Å; L16-R20 PolarHBondContact O-N 2.94Å; A17-R20 PolarHBondContact O-N 3.44Å; K18-R20 VanDerWaalsContact C-N 3.35Å; K18-R20 PolarHBondContact O-N 2.98Å; R20-Q24 PolarHBondContact O-N 3.25Å; R20-L27 HydrophobicContact CG-CD1 4.06Å; R20-P33 PolarHBondContact NH1-O 2.78Å; R20-P33 PolarHBondContact NH2-O 3.21Å; R20-D35 IonicContact CZ-OD1 2.82Å; R20-D35 IonicContact NE-OD1 3.41Å; R20-D35 IonicContact NH2-OD1 2.75Å; R20-D35 PolarHBondContact NH2-OD1 2.88Å; R20-L38 HydrophobicContact CB-CD1 3.76Å; R20-L38 HydrophobicContact CG-CD1 3.97Å
21E98.4Very high97.3Very high125 Ų12566.2 Ų66.258%0.58434%0.344SS*.Hα-helixtrans-63.3-46.1174.9-175.1-179.7179.500111.8A17 K18 F19 V23 Q24A17-E21 PolarHBondContact O-N 3.28Å; A17-E21 VanDerWaalsContact O-N 3.11Å; K18-E21 PolarHBondContact O-N 3.06Å; F19-E21 VanDerWaalsContact C-N 3.31Å; F19-E21 PolarHBondContact O-N 3.4Å; E21-V23 VanDerWaalsContact C-N 3.28Å; E21-V23 PolarHBondContact O-N 3.27Å; E21-Q24 WeakPolarHBondContact O-CB 3.3Å; E21-Q24 WeakPolarHBondContact O-CG 3.45Å; E21-Q24 PolarHBondContact O-N 2.85Å; E21-Q24 PolarHBondContact O-NE2 3.06Å
22N98.4Very high97.1Very high67 Ų6763.2 Ų63.236%0.35834%0.336SS..Hα-helixtrans-61.6-34.2-179-71.45.4000113.6K18 F19 R57K18-N22 VanDerWaalsContact O-CG 3.26Å; K18-N22 PolarHBondContact O-N 2.92Å; K18-N22 PolarHBondContact O-OD1 3.44Å; F19-N22 PolarHBondContact O-N 3.3Å; N22-R57 PolarHBondContact O-NH2 2.86Å; N22-R57 VanDerWaalsContact O-NH2 3.13Å
23V98.4Very high96.9Very high0 Ų063.6 Ų63.60%034%0.341CS..THydrogen-bonded Turntrans-103.710.9-174.9-530000113.1F19 E21 D25 V26 L27 L38 E53 L56F19-V23 HydrophobicContact CD2-CG1 4.24Å; F19-V23 HydrophobicContact CE2-CG1 3.78Å; F19-V23 HydrophobicContact CZ-CG1 4.05Å; F19-V23 VanDerWaalsContact O-CG2 3.31Å; F19-V23 WeakPolarHBondContact O-CG2 3.48Å; F19-V23 PolarHBondContact O-N 3.09Å; F19-V23 VanDerWaalsContact O-N 3.13Å; E21-V23 VanDerWaalsContact C-N 3.28Å; E21-V23 PolarHBondContact O-N 3.27Å; V23-D25 PolarHBondContact O-N 3.16Å; V23-V26 HydrophobicContact CB-CG2 3.94Å; V23-V26 WeakPolarHBondContact O-CG2 3.29Å; V23-V26 PolarHBondContact O-N 2.92Å; V23-L27 HydrophobicContact CG2-CD2 3.7Å; V23-L27 HydrophobicContact CG2-CG 4.17Å; V23-L27 WeakPolarHBondContact O-CG 3.46Å; V23-L27 PolarHBondContact O-N 3.35Å; V23-L38 HydrophobicContact CG2-CD2 4.27Å; V23-E53 HydrophobicContact CG1-CB 4.28Å; V23-E53 HydrophobicContact CG1-CG 3.91Å; V23-L56 HydrophobicContact CB-CD2 4.11Å; V23-L56 HydrophobicContact CG1-CD2 4.14Å; V23-L56 HydrophobicContact CG2-CD2 3.96Å
24Q97.4Very high96.9Very high129 Ų12960.1 Ų60.160%0.60333%0.326SS*.THydrogen-bonded Turntrans-54.8-29.2-175.969.2-176.1-40.600113.5R20 E21 V26 P28R20-Q24 PolarHBondContact O-N 3.25Å; E21-Q24 WeakPolarHBondContact O-CB 3.3Å; E21-Q24 WeakPolarHBondContact O-CG 3.45Å; E21-Q24 PolarHBondContact O-N 2.85Å; E21-Q24 PolarHBondContact O-NE2 3.06Å; Q24-V26 VanDerWaalsContact C-N 3.34Å; Q24-P28 WeakPolarHBondContact O-CD 3.31Å
25D98Very high96.9Very high93 Ų9358.3 Ų58.350%0.49732%0.32SS..THydrogen-bonded Turntrans-69.5-29.1-18063.6-57.8000113V23 R57V23-D25 PolarHBondContact O-N 3.16Å; D25-R57 IonicContact OD1-CZ 3.92Å; D25-R57 IonicContact OD1-NH1 3.8Å; D25-R57 PolarHBondContact OD1-NH1 3Å; D25-R57 IonicContact OD1-NH2 2.66Å; D25-R57 PolarHBondContact OD1-NH2 3.49Å; D25-R57 IonicContact OD2-CZ 2.69Å; D25-R57 IonicContact OD2-NH1 3.74Å; D25-R57 PolarHBondContact OD2-NH1 3.43Å; D25-R57 IonicContact OD2-NH2 2.92Å; D25-R57 PolarHBondContact OD2-NH2 2.8Å
26V97.8Very high96.8Very high15 Ų1561.2 Ų61.29%0.09133%0.328CS..THydrogen-bonded Turntrans-98.4-18.3-179.8-63.60000113.8V23 Q24 T29 V60V23-V26 HydrophobicContact CB-CG2 3.94Å; V23-V26 WeakPolarHBondContact O-CG2 3.29Å; V23-V26 PolarHBondContact O-N 2.92Å; Q24-V26 VanDerWaalsContact C-N 3.34Å; V26-T29 PolarHBondContact O-N 2.65Å; V26-T29 VanDerWaalsContact O-N 3.07Å; V26-T29 PolarHBondContact O-OG1 3.23Å; V26-V60 HydrophobicContact CB-CG1 4.48Å; V26-V60 HydrophobicContact CB-CG2 3.96Å; V26-V60 HydrophobicContact CG1-CG1 4.4Å; V26-V60 HydrophobicContact CG1-CG2 4.41Å; V26-V60 HydrophobicContact CG2-CG2 4.21Å
27L96.8Very high96.8Very high22 Ų2261.5 Ų61.512%0.11533%0.329CS..G310 helixtrans-54.3-39.5-179.1-62-171.4000114.9R20 V23 T29 L30 P33 L38R20-L27 HydrophobicContact CG-CD1 4.06Å; V23-L27 HydrophobicContact CG2-CD2 3.7Å; V23-L27 HydrophobicContact CG2-CG 4.17Å; V23-L27 WeakPolarHBondContact O-CG 3.46Å; V23-L27 PolarHBondContact O-N 3.35Å; L27-T29 PolarHBondContact O-N 2.84Å; L27-L30 HydrophobicContact CD2-CD1 4.29Å; L27-L30 PolarHBondContact O-N 3.08Å; L27-L30 VanDerWaalsContact O-N 3.07Å; L27-P33 HydrophobicContact CB-CB 4.42Å; L27-P33 HydrophobicContact CB-CG 4.32Å; L27-P33 HydrophobicContact CD2-CB 3.93Å; L27-L38 HydrophobicContact CD2-CD2 3.96Å
28P96.9Very high96.8Very high114 Ų11458.6 Ų58.674%0.7430%0.304SS*.G310 helixtrans-61.5-17.8179.4-25.335.9000114.4Q24Q24-P28 WeakPolarHBondContact O-CD 3.31Å
29T94.6Very high96.8Very high80 Ų8054.2 Ų54.249%0.49129%0.285SS..G310 helixtrans-91.4-6.4179.870.60000113.5V26 L27V26-T29 PolarHBondContact O-N 2.65Å; V26-T29 VanDerWaalsContact O-N 3.07Å; V26-T29 PolarHBondContact O-OG1 3.23Å; L27-T29 PolarHBondContact O-N 2.84Å
30L94.7Very high96.8Very high12 Ų1255.1 Ų55.16%0.06329%0.289CS..SBendtrans-104.1140.2-173-68.4166000111.1L27 N32 P33 F37 L56 V60L27-L30 HydrophobicContact CD2-CD1 4.29Å; L27-L30 PolarHBondContact O-N 3.08Å; L27-L30 VanDerWaalsContact O-N 3.07Å; L30-N32 PolarHBondContact O-N 2.97Å; L30-P33 HydrophobicContact CB-CB 4.42Å; L30-P33 WeakPolarHBondContact O-CD 3.48Å; L30-F37 HydrophobicContact CD1-CE1 3.75Å; L30-F37 HydrophobicContact CD1-CZ 3.87Å; L30-F37 HydrophobicContact CD2-CZ 4.04Å; L30-F37 HydrophobicContact CG-CZ 4.4Å; L30-L56 HydrophobicContact CD1-CD1 3.93Å; L30-V60 HydrophobicContact CD1-CG2 4.19Å; L30-V60 HydrophobicContact CD2-CG2 4.03Å; L30-V60 HydrophobicContact CG-CG2 4.29Å
31P89.1Confident96.8Very high67 Ų6751.5 Ų51.544%0.43528%0.275SS..SBendtrans-74123.1173.930.4-34000110.1
32N92.4Very high96.8Very high107 Ų10745.6 Ų45.657%0.57225%0.247SC*.  trans50.165.9175.6-173.851.4000114.4L30 D34L30-N32 PolarHBondContact O-N 2.97Å; N32-D34 PolarHBondContact ND2-OD2 2.95Å; N32-D34 PolarHBondContact O-N 2.83Å
33P94.7Very high96.8Very high37 Ų3743.4 Ų43.424%0.2423%0.234CC..  trans-7754.7178.133.9-35.9000112.5R20 L27 L30 F37R20-P33 PolarHBondContact NH1-O 2.78Å; R20-P33 PolarHBondContact NH2-O 3.21Å; L27-P33 HydrophobicContact CB-CB 4.42Å; L27-P33 HydrophobicContact CB-CG 4.32Å; L27-P33 HydrophobicContact CD2-CB 3.93Å; L30-P33 HydrophobicContact CB-CB 4.42Å; L30-P33 WeakPolarHBondContact O-CD 3.48Å; P33-F37 HydrophobicContact CB-CD1 4.38Å
34D96.8Very high96.8Very high37 Ų3744.6 Ų44.620%0.19824%0.244CC..  trans-69.4173.4174.965.711.6000111.9N32 Y36 F37 L38 K145N32-D34 PolarHBondContact ND2-OD2 2.95Å; N32-D34 PolarHBondContact O-N 2.83Å; D34-Y36 HydrophobicContact CB-CD2 4.42Å; D34-Y36 PolarHBondContact O-N 3.41Å; D34-Y36 WeakPolarHBondContact OD1-CB 3.41Å; D34-Y36 PolarHBondContact OD1-N 2.91Å; D34-Y36 WeakPolarHBondContact OD2-CD2 3.29Å; D34-F37 PolarHBondContact O-N 2.86Å; D34-F37 WeakPolarHBondContact OD1-CB 3.48Å; D34-F37 PolarHBondContact OD1-N 2.97Å; D34-L38 PolarHBondContact O-N 3.45Å; D34-L38 VanDerWaalsContact O-N 3.17Å; D34-K145 IonicContact OD1-NZ 3.74Å; D34-K145 IonicContact OD2-NZ 3.26Å; D34-K145 PolarHBondContact OD2-NZ 3.01Å
35D98.3Very high96.8Very high65 Ų6542.8 Ų42.835%0.34823%0.231SC..Hα-helixtrans-58.8-35.4178.4-74.2-11.4000111.8V5 L16 R20 L38 L39V5-D35 HydrophobicContact CG2-CB 3.83Å; L16-D35 HydrophobicContact CD2-CB 4.08Å; R20-D35 IonicContact CZ-OD1 2.82Å; R20-D35 IonicContact NE-OD1 3.41Å; R20-D35 IonicContact NH2-OD1 2.75Å; R20-D35 PolarHBondContact NH2-OD1 2.88Å; D35-L38 PolarHBondContact O-N 3.48Å; D35-L39 HydrophobicContact CB-CD1 4.46Å; D35-L39 VanDerWaalsContact O-CB 3.23Å; D35-L39 WeakPolarHBondContact O-CB 3.32Å; D35-L39 WeakPolarHBondContact O-CD1 3.34Å; D35-L39 WeakPolarHBondContact O-CG 3.21Å; D35-L39 PolarHBondContact O-N 3.11Å
36Y98.1Very high96.8Very high75 Ų7543.7 Ų43.729%0.29425%0.245SC..Hα-helixtrans-60.6-47.8177.3-58.3-87.2000111.3V5 D34 L38 L39 R40 K145 E147V5-Y36 HydrophobicContact CB-CD1 4.11Å; V5-Y36 HydrophobicContact CB-CE1 3.52Å; V5-Y36 HydrophobicContact CB-CE2 4.42Å; V5-Y36 HydrophobicContact CG1-CE1 4.23Å; V5-Y36 HydrophobicContact CG1-CE2 4.45Å; V5-Y36 HydrophobicContact CG2-CD1 3.58Å; V5-Y36 HydrophobicContact CG2-CD2 4.09Å; V5-Y36 HydrophobicContact CG2-CE1 3.49Å; V5-Y36 VanDerWaalsContact CG2-CE1 3.49Å; V5-Y36 HydrophobicContact CG2-CE2 3.99Å; V5-Y36 HydrophobicContact CG2-CG 3.89Å; D34-Y36 HydrophobicContact CB-CD2 4.42Å; D34-Y36 PolarHBondContact O-N 3.41Å; D34-Y36 WeakPolarHBondContact OD1-CB 3.41Å; D34-Y36 PolarHBondContact OD1-N 2.91Å; D34-Y36 WeakPolarHBondContact OD2-CD2 3.29Å; Y36-L38 PolarHBondContact O-N 3.26Å; Y36-L39 PolarHBondContact O-N 2.87Å; Y36-R40 PolarHBondContact O-N 3.26Å; Y36-K145 VanDerWaalsContact CB-CE 3.49Å; Y36-K145 HydrophobicContact CD1-CB 4.16Å; Y36-K145 HydrophobicContact CD1-CD 3.83Å; Y36-K145 HydrophobicContact CD1-CG 3.52Å; Y36-K145 HydrophobicContact CD2-CD 3.88Å; Y36-K145 HydrophobicContact CD2-CG 4.47Å; Y36-K145 HydrophobicContact CE1-CB 3.69Å; Y36-K145 HydrophobicContact CE1-CD 4.03Å; Y36-K145 HydrophobicContact CE1-CG 3.6Å; Y36-K145 HydrophobicContact CE2-CD 4.1Å; Y36-K145 HydrophobicContact CG-CD 3.74Å; Y36-K145 VanDerWaalsContact CG-CE 3.5Å; Y36-K145 HydrophobicContact CG-CG 3.98Å; Y36-E147 WeakPolarHBondContact CB-OE2 3.4Å
37F98.3Very high96.8Very high18 Ų1844.9 Ų44.98%0.07925%0.249CC..Hα-helixtrans-56.9-51.7175.7175.5-88.8000111.4L30 P33 D34 L39 R40 W41 L56L30-F37 HydrophobicContact CD1-CE1 3.75Å; L30-F37 HydrophobicContact CD1-CZ 3.87Å; L30-F37 HydrophobicContact CD2-CZ 4.04Å; L30-F37 HydrophobicContact CG-CZ 4.4Å; P33-F37 HydrophobicContact CB-CD1 4.38Å; D34-F37 PolarHBondContact O-N 2.86Å; D34-F37 WeakPolarHBondContact OD1-CB 3.48Å; D34-F37 PolarHBondContact OD1-N 2.97Å; F37-L39 PolarHBondContact O-N 2.93Å; F37-R40 PolarHBondContact O-N 3.42Å; F37-W41 AromaticContact CD1-NE1 3.71Å; F37-W41 AromaticContact CE1-CD1 3.92Å; F37-W41 AromaticContact CE1-NE1 3.2Å; F37-W41 HydrophobicContact CE2-CZ2 4.09Å; F37-W41 AromaticContact CE2-NE1 3.69Å; F37-W41 AromaticContact CZ-CE2 3.77Å; F37-W41 AromaticContact CZ-CZ2 3.82Å; F37-W41 HydrophobicContact CZ-CZ2 3.82Å; F37-W41 AromaticContact CZ-NE1 3.18Å; F37-W41 PolarHBondContact O-NE1 2.83Å; F37-L56 HydrophobicContact CE1-CD1 3.76Å; F37-L56 HydrophobicContact CE1-CD2 4.47Å; F37-L56 HydrophobicContact CZ-CD1 3.74Å
38L98.6Very high96.9Very high0 Ų046.4 Ų46.40%026%0.258CS..Hα-helixtrans-64.5-39.8-178.6-66.1-173.6000112.9L16 F19 R20 V23 L27 D34 D35 Y36 R40 W41 L42 L56L16-L38 HydrophobicContact CD1-CB 3.72Å; L16-L38 HydrophobicContact CD1-CD1 4.15Å; F19-L38 HydrophobicContact CD1-CB 4.15Å; F19-L38 HydrophobicContact CD1-CD2 4.27Å; F19-L38 HydrophobicContact CE1-CB 4.25Å; F19-L38 HydrophobicContact CE1-CD2 3.93Å; R20-L38 HydrophobicContact CB-CD1 3.76Å; R20-L38 HydrophobicContact CG-CD1 3.97Å; V23-L38 HydrophobicContact CG2-CD2 4.27Å; L27-L38 HydrophobicContact CD2-CD2 3.96Å; D34-L38 PolarHBondContact O-N 3.45Å; D34-L38 VanDerWaalsContact O-N 3.17Å; D35-L38 PolarHBondContact O-N 3.48Å; Y36-L38 PolarHBondContact O-N 3.26Å; L38-R40 PolarHBondContact O-N 3.3Å; L38-W41 PolarHBondContact O-N 2.95Å; L38-L42 PolarHBondContact O-N 3.27Å; L38-L56 HydrophobicContact CD2-CD2 4.25Å
39L98.7Very high97Very high0 Ų043.3 Ų43.30%023%0.234CC..Hα-helixtrans-65.9-24.8-179.5-75168.1000112.9V5 L8 L16 D35 Y36 F37 L42 R43 F47V5-L39 HydrophobicContact CG2-CD1 3.72Å; L8-L39 HydrophobicContact CD1-CD1 4.32Å; L8-L39 HydrophobicContact CD1-CD2 4.46Å; L8-L39 HydrophobicContact CD2-CD1 4.08Å; L8-L39 HydrophobicContact CD2-CD2 3.86Å; L16-L39 HydrophobicContact CB-CD2 4.43Å; L16-L39 HydrophobicContact CD1-CD2 4.21Å; L16-L39 HydrophobicContact CD1-CG 4.11Å; L16-L39 HydrophobicContact CD2-CD1 4.24Å; L16-L39 HydrophobicContact CD2-CD2 4.13Å; L16-L39 HydrophobicContact CD2-CG 4.11Å; L16-L39 HydrophobicContact CG-CD2 4.5Å; D35-L39 HydrophobicContact CB-CD1 4.46Å; D35-L39 VanDerWaalsContact O-CB 3.23Å; D35-L39 WeakPolarHBondContact O-CB 3.32Å; D35-L39 WeakPolarHBondContact O-CD1 3.34Å; D35-L39 WeakPolarHBondContact O-CG 3.21Å; D35-L39 PolarHBondContact O-N 3.11Å; Y36-L39 PolarHBondContact O-N 2.87Å; F37-L39 PolarHBondContact O-N 2.93Å; L39-L42 HydrophobicContact CD2-CD1 4.12Å; L39-L42 PolarHBondContact O-N 2.9Å; L39-R43 WeakPolarHBondContact O-CB 3.19Å; L39-R43 VanDerWaalsContact O-CG 3.31Å; L39-R43 WeakPolarHBondContact O-CG 3.09Å; L39-R43 PolarHBondContact O-N 3.27Å; L39-F47 HydrophobicContact CD2-CE1 3.82Å; L39-F47 HydrophobicContact CD2-CZ 3.97Å
40R98.3Very high97.1Very high19 Ų1947.3 Ų47.37%0.07225%0.247CC..Hα-helixtrans-61.8-45172.9-69.8-170.6-57.4123.80.2111.6Y36 F37 L38 A44 P183 E184 T185Y36-R40 PolarHBondContact O-N 3.26Å; F37-R40 PolarHBondContact O-N 3.42Å; L38-R40 PolarHBondContact O-N 3.3Å; R40-A44 VanDerWaalsContact O-CB 3.27Å; R40-A44 WeakPolarHBondContact O-CB 3.19Å; R40-A44 PolarHBondContact O-N 3.47Å; R40-P183 PolarHBondContact NH1-O 3.12Å; R40-P183 VanDerWaalsContact NH1-O 3.15Å; R40-E184 HydrophobicContact CB-CB 4.01Å; R40-E184 HydrophobicContact CG-CB 3.95Å; R40-E184 WeakPolarHBondContact O-CG 3.36Å; R40-T185 PolarHBondContact NH1-OG1 3.1Å
41W98.6Very high97.3Very high0 Ų052.6 Ų52.60%027%0.27CS..Hα-helixtrans-66.4-43.2178.1-51.397000111.6F19 F37 L38 A44 R45 S52 M55 L56 H59 P183F19-W41 HydrophobicContact CE1-CB 4.27Å; F19-W41 HydrophobicContact CZ-CB 4.22Å; F37-W41 AromaticContact CD1-NE1 3.71Å; F37-W41 AromaticContact CE1-CD1 3.92Å; F37-W41 AromaticContact CE1-NE1 3.2Å; F37-W41 HydrophobicContact CE2-CZ2 4.09Å; F37-W41 AromaticContact CE2-NE1 3.69Å; F37-W41 AromaticContact CZ-CE2 3.77Å; F37-W41 AromaticContact CZ-CZ2 3.82Å; F37-W41 HydrophobicContact CZ-CZ2 3.82Å; F37-W41 AromaticContact CZ-NE1 3.18Å; F37-W41 PolarHBondContact O-NE1 2.83Å; L38-W41 PolarHBondContact O-N 2.95Å; W41-A44 PolarHBondContact O-N 3.35Å; W41-R45 PolarHBondContact O-N 3.15Å; W41-S52 PolarHBondContact O-OG 2.9Å; W41-M55 HydrophobicContact CE3-CB 4.36Å; W41-M55 HydrophobicContact CE3-CE 4.32Å; W41-M55 HydrophobicContact CE3-CG 3.78Å; W41-M55 HydrophobicContact CE3-SD 3.98Å; W41-M55 HydrophobicContact CZ3-CE 4.15Å; W41-M55 HydrophobicContact CZ3-CG 3.9Å; W41-M55 HydrophobicContact CZ3-SD 4.33Å; W41-L56 HydrophobicContact CD2-CB 4.13Å; W41-L56 HydrophobicContact CD2-CD1 4.02Å; W41-L56 HydrophobicContact CE3-CB 4.32Å; W41-L56 HydrophobicContact CG-CB 4.28Å; W41-L56 HydrophobicContact CG-CD1 4.39Å; W41-L56 HydrophobicContact CZ2-CD1 3.89Å; W41-H59 HydrophobicContact CH2-CB 3.39Å; W41-H59 AromaticContact CH2-CD2 3.49Å; W41-H59 VanDerWaalsContact CH2-CD2 3.49Å; W41-H59 WeakPolarHBondContact CH2-CD2 3.25Å; W41-H59 AromaticContact CH2-CG 3.28Å; W41-H59 AromaticContact CH2-ND1 3.85Å; W41-H59 HydrophobicContact CZ2-CB 4.15Å; W41-H59 AromaticContact CZ2-CD2 3.46Å; W41-H59 VanDerWaalsContact CZ2-CD2 3.46Å; W41-H59 WeakPolarHBondContact CZ2-CD2 3.46Å; W41-H59 AromaticContact CZ2-CG 3.79Å; W41-H59 HydrophobicContact CZ3-CB 3.81Å; W41-P183 HydrophobicContact CD2-CG 4.07Å; W41-P183 HydrophobicContact CE3-CG 3.65Å; W41-P183 HydrophobicContact CH2-CG 4.04Å; W41-P183 HydrophobicContact CZ2-CG 4.46Å; W41-P183 HydrophobicContact CZ3-CG 3.63Å
42L98.7Very high97.8Very high0 Ų049.4 Ų49.40%025%0.249CC..Hα-helixtrans-61.4-50.6176.3-72.6167000111.6L16 F19 L38 L39 A44 R45 S46 F47 L49L16-L42 HydrophobicContact CB-CD1 4.19Å; L16-L42 HydrophobicContact CD1-CD1 3.9Å; F19-L42 HydrophobicContact CB-CD1 4.14Å; F19-L42 HydrophobicContact CB-CD2 4.01Å; F19-L42 HydrophobicContact CB-CG 4.43Å; F19-L42 HydrophobicContact CD1-CD1 3.88Å; F19-L42 HydrophobicContact CD1-CD2 4.08Å; F19-L42 HydrophobicContact CD1-CG 3.81Å; F19-L42 HydrophobicContact CD2-CD2 4.18Å; F19-L42 HydrophobicContact CE1-CG 4.25Å; F19-L42 HydrophobicContact CG-CD1 4.2Å; F19-L42 HydrophobicContact CG-CD2 3.82Å; F19-L42 HydrophobicContact CG-CG 4.08Å; L38-L42 PolarHBondContact O-N 3.27Å; L39-L42 HydrophobicContact CD2-CD1 4.12Å; L39-L42 PolarHBondContact O-N 2.9Å; L42-A44 VanDerWaalsContact C-N 3.33Å; L42-A44 PolarHBondContact O-N 2.99Å; L42-R45 CarbonylContact O-C 3.41Å; L42-R45 PolarHBondContact O-N 2.78Å; L42-R45 VanDerWaalsContact O-N 3.14Å; L42-S46 PolarHBondContact O-N 3.13Å; L42-F47 HydrophobicContact CB-CD1 3.86Å; L42-F47 HydrophobicContact CB-CE1 3.94Å; L42-F47 HydrophobicContact CB-CG 4.24Å; L42-F47 HydrophobicContact CB-CZ 4.38Å; L42-F47 HydrophobicContact CD1-CD1 4.24Å; L42-F47 HydrophobicContact CD1-CE1 4.19Å; L42-F47 HydrophobicContact CD2-CD1 4.32Å; L42-F47 HydrophobicContact CG-CD1 4.37Å; L42-F47 PolarHBondContact O-N 3.18Å; L42-L49 HydrophobicContact CD2-CD2 3.97Å
43R98.4Very high98.1Very high22 Ų2246.2 Ų46.28%0.08323%0.231CC..Hα-helixtrans-60.2-42.6178.3-74.6-166-55.1-91.76111.9G3 L39 R45 S46 F47 E147 E184G3-R43 WeakPolarHBondContact O-CD 3.45Å; G3-R43 PolarHBondContact O-NH1 3.17Å; L39-R43 WeakPolarHBondContact O-CB 3.19Å; L39-R43 VanDerWaalsContact O-CG 3.31Å; L39-R43 WeakPolarHBondContact O-CG 3.09Å; L39-R43 PolarHBondContact O-N 3.27Å; R43-R45 PolarHBondContact O-N 2.71Å; R43-R45 VanDerWaalsContact O-N 3.08Å; R43-S46 PolarHBondContact O-N 2.88Å; R43-F47 HydrophobicContact CG-CE2 3.93Å; R43-F47 HydrophobicContact CG-CZ 4.21Å; R43-E147 IonicContact CZ-OE1 3.49Å; R43-E147 IonicContact NH2-OE1 2.93Å; R43-E147 PolarHBondContact NH2-OE1 3.33Å; R43-E184 HydrophobicContact CB-CG 3.85Å; R43-E184 IonicContact CZ-OE2 2.91Å; R43-E184 IonicContact NE-OE2 2.74Å; R43-E184 PolarHBondContact NE-OE2 2.84Å; R43-E184 IonicContact NH2-OE2 2.61Å
44A97.4Very high98.3Very high24 Ų2447.4 Ų47.420%0.19824%0.244CC..Hα-helixtrans-62.4-17.8179.200000114.3R40 W41 L42 M55 P183 E184R40-A44 VanDerWaalsContact O-CB 3.27Å; R40-A44 WeakPolarHBondContact O-CB 3.19Å; R40-A44 PolarHBondContact O-N 3.47Å; W41-A44 PolarHBondContact O-N 3.35Å; L42-A44 VanDerWaalsContact C-N 3.33Å; L42-A44 PolarHBondContact O-N 2.99Å; A44-M55 HydrophobicContact CB-SD 4.3Å; A44-P183 HydrophobicContact CB-CB 3.57Å; A44-P183 HydrophobicContact CB-CG 4.48Å; A44-E184 HydrophobicContact CB-CG 4.37Å
45R97.9Very high98.4Very high91 Ų9146.3 Ų46.334%0.34324%0.238SC..THydrogen-bonded Turntrans-122.725.6175.5-61.8-63.7178.6-93.61.9112.3W41 L42 R43 F47 D48 K51 M55W41-R45 PolarHBondContact O-N 3.15Å; L42-R45 CarbonylContact O-C 3.41Å; L42-R45 PolarHBondContact O-N 2.78Å; L42-R45 VanDerWaalsContact O-N 3.14Å; R43-R45 PolarHBondContact O-N 2.71Å; R43-R45 VanDerWaalsContact O-N 3.08Å; R45-F47 PolarHBondContact O-N 3.13Å; R45-D48 HydrophobicContact CB-CB 4.49Å; R45-D48 WeakPolarHBondContact O-CB 3.5Å; R45-D48 PolarHBondContact O-N 3.11Å; R45-K51 HydrophobicContact CB-CB 4.02Å; R45-K51 HydrophobicContact CG-CB 3.96Å; R45-M55 HydrophobicContact CG-SD 4.26Å; R45-M55 PolarHBondContact NH2-SD 2.99Å
46S97.4Very high98.4Very high112 Ų11243.2 Ų43.278%0.78322%0.221SC*.THydrogen-bonded Turntrans52.838.3176-55.70000113.8L42 R43 D48L42-S46 PolarHBondContact O-N 3.13Å; R43-S46 PolarHBondContact O-N 2.88Å; S46-D48 PolarHBondContact O-N 3.2Å
47F98.2Very high98.4Very high41 Ų4143.4 Ų43.418%0.1822%0.221CC..THydrogen-bonded Turntrans61.720.8-176.5-68.3-102.1000114.8Q12 A15 L39 L42 R43 R45 L49Q12-F47 HydrophobicContact CB-CD1 4.12Å; Q12-F47 HydrophobicContact CB-CE1 3.63Å; Q12-F47 HydrophobicContact CB-CZ 4.03Å; Q12-F47 HydrophobicContact CG-CD1 3.86Å; Q12-F47 HydrophobicContact CG-CD2 4.23Å; Q12-F47 HydrophobicContact CG-CE1 3.6Å; Q12-F47 HydrophobicContact CG-CE2 4Å; Q12-F47 HydrophobicContact CG-CG 4.18Å; Q12-F47 HydrophobicContact CG-CZ 3.68Å; Q12-F47 VanDerWaalsContact NE2-CE2 3.28Å; A15-F47 HydrophobicContact CB-CD1 4.06Å; L39-F47 HydrophobicContact CD2-CE1 3.82Å; L39-F47 HydrophobicContact CD2-CZ 3.97Å; L42-F47 HydrophobicContact CB-CD1 3.86Å; L42-F47 HydrophobicContact CB-CE1 3.94Å; L42-F47 HydrophobicContact CB-CG 4.24Å; L42-F47 HydrophobicContact CB-CZ 4.38Å; L42-F47 HydrophobicContact CD1-CD1 4.24Å; L42-F47 HydrophobicContact CD1-CE1 4.19Å; L42-F47 HydrophobicContact CD2-CD1 4.32Å; L42-F47 HydrophobicContact CG-CD1 4.37Å; L42-F47 PolarHBondContact O-N 3.18Å; R43-F47 HydrophobicContact CG-CE2 3.93Å; R43-F47 HydrophobicContact CG-CZ 4.21Å; R45-F47 PolarHBondContact O-N 3.13Å; F47-L49 PolarHBondContact O-N 2.86Å
48D98.6Very high98.4Very high54 Ų5447.9 Ų47.929%0.28924%0.241SC..  trans-72.1106.4167.9-176.3-48.6000109.5R45 S46 Q50 K51 S52R45-D48 HydrophobicContact CB-CB 4.49Å; R45-D48 WeakPolarHBondContact O-CB 3.5Å; R45-D48 PolarHBondContact O-N 3.11Å; S46-D48 PolarHBondContact O-N 3.2Å; D48-Q50 PolarHBondContact O-N 3.47Å; D48-Q50 PolarHBondContact OD1-N 3.4Å; D48-K51 HydrophobicContact CB-CB 4.2Å; D48-K51 HydrophobicContact CB-CD 4.32Å; D48-K51 HydrophobicContact CB-CG 4.48Å; D48-K51 PolarHBondContact O-N 3.05Å; D48-K51 WeakPolarHBondContact OD1-CG 3.46Å; D48-K51 PolarHBondContact OD1-N 3.29Å; D48-K51 WeakPolarHBondContact OD2-CD 3.37Å; D48-K51 WeakPolarHBondContact OD2-CE 3.41Å; D48-K51 IonicContact OD2-NZ 3.19Å; D48-K51 PolarHBondContact OD2-NZ 3.26Å; D48-S52 VanDerWaalsContact O-CB 3.26Å; D48-S52 WeakPolarHBondContact O-CB 3.28Å; D48-S52 PolarHBondContact O-N 3.22Å; D48-S52 PolarHBondContact O-OG 2.82Å
49L98.7Very high98.4Very high49 Ų4948.1 Ų48.126%0.25724%0.242SC..Hα-helixtrans-58.3-45.9-173.5-64.9179000112.6A15 K18 F19 L42 F47 S52 E53A15-L49 HydrophobicContact CB-CD2 4.19Å; A15-L49 WeakPolarHBondContact O-CD2 3.26Å; K18-L49 HydrophobicContact CB-CD1 4.14Å; K18-L49 HydrophobicContact CD-CD1 4.45Å; F19-L49 HydrophobicContact CB-CD2 3.82Å; F19-L49 HydrophobicContact CD2-CD2 4.36Å; F19-L49 HydrophobicContact CG-CD2 4.49Å; L42-L49 HydrophobicContact CD2-CD2 3.97Å; F47-L49 PolarHBondContact O-N 2.86Å; L49-S52 PolarHBondContact O-N 3.49Å; L49-E53 VanDerWaalsContact O-CB 3.29Å; L49-E53 WeakPolarHBondContact O-CB 3.27Å; L49-E53 PolarHBondContact O-N 2.91Å
50Q98.6Very high98.4Very high163 Ų16349.4 Ų49.476%0.76225%0.25SC*.Hα-helixtrans-66.8-44.4-175.8-171.9-17911.600111.3D48 E53 A54D48-Q50 PolarHBondContact O-N 3.47Å; D48-Q50 PolarHBondContact OD1-N 3.4Å; Q50-E53 PolarHBondContact O-N 2.86Å; Q50-A54 WeakPolarHBondContact O-CB 3.5Å; Q50-A54 PolarHBondContact O-N 3.27Å
51K98.6Very high98.4Very high124 Ų12452.6 Ų52.654%0.53927%0.265SS..Hα-helixtrans-69.7-37.5177.7-68179.3-168.7131.40112.2R45 D48 E53 M55R45-K51 HydrophobicContact CB-CB 4.02Å; R45-K51 HydrophobicContact CG-CB 3.96Å; D48-K51 HydrophobicContact CB-CB 4.2Å; D48-K51 HydrophobicContact CB-CD 4.32Å; D48-K51 HydrophobicContact CB-CG 4.48Å; D48-K51 PolarHBondContact O-N 3.05Å; D48-K51 WeakPolarHBondContact OD1-CG 3.46Å; D48-K51 PolarHBondContact OD1-N 3.29Å; D48-K51 WeakPolarHBondContact OD2-CD 3.37Å; D48-K51 WeakPolarHBondContact OD2-CE 3.41Å; D48-K51 IonicContact OD2-NZ 3.19Å; D48-K51 PolarHBondContact OD2-NZ 3.26Å; K51-E53 VanDerWaalsContact C-N 3.32Å; K51-M55 WeakPolarHBondContact O-CB 3.35Å; K51-M55 PolarHBondContact O-N 3.22Å
52S98.7Very high98.4Very high0 Ų053.6 Ų53.60%027%0.27CS..Hα-helixtrans-63.2-42.2176.6-55.40000110.7W41 D48 L49 M55 L56W41-S52 PolarHBondContact O-OG 2.9Å; D48-S52 VanDerWaalsContact O-CB 3.26Å; D48-S52 WeakPolarHBondContact O-CB 3.28Å; D48-S52 PolarHBondContact O-N 3.22Å; D48-S52 PolarHBondContact O-OG 2.82Å; L49-S52 PolarHBondContact O-N 3.49Å; S52-M55 PolarHBondContact O-N 3.42Å; S52-L56 WeakPolarHBondContact O-CB 3.42Å; S52-L56 PolarHBondContact O-N 2.83Å
53E98.8Very high98.3Very high40 Ų4054.4 Ų54.419%0.18727%0.273CS..Hα-helixtrans-66.7-48.4178.6175.4169.1-178.900111.3F19 V23 L49 Q50 K51 M55 L56 R57F19-E53 HydrophobicContact CE2-CB 3.93Å; V23-E53 HydrophobicContact CG1-CB 4.28Å; V23-E53 HydrophobicContact CG1-CG 3.91Å; L49-E53 VanDerWaalsContact O-CB 3.29Å; L49-E53 WeakPolarHBondContact O-CB 3.27Å; L49-E53 PolarHBondContact O-N 2.91Å; Q50-E53 PolarHBondContact O-N 2.86Å; K51-E53 VanDerWaalsContact C-N 3.32Å; E53-M55 VanDerWaalsContact C-N 3.25Å; E53-M55 PolarHBondContact O-N 2.65Å; E53-L56 PolarHBondContact O-N 2.76Å; E53-R57 HydrophobicContact CG-CG 4.32Å; E53-R57 WeakPolarHBondContact O-CB 3.5Å; E53-R57 WeakPolarHBondContact O-CG 3.39Å; E53-R57 PolarHBondContact O-N 2.92Å; E53-R57 IonicContact OE1-CZ 2.94Å; E53-R57 VanDerWaalsContact OE1-CZ 3.3Å; E53-R57 IonicContact OE1-NE 3.53Å; E53-R57 PolarHBondContact OE1-NE 2.91Å; E53-R57 IonicContact OE1-NH2 3.58Å; E53-R57 PolarHBondContact OE1-NH2 3.15Å
54A98.6Very high98.3Very high62 Ų6261 Ų6151%0.51230%0.302SS..Hα-helixtrans-57.5-40.8176.400000111.9Q50 K58Q50-A54 WeakPolarHBondContact O-CB 3.5Å; Q50-A54 PolarHBondContact O-N 3.27Å; A54-K58 PolarHBondContact O-N 2.71Å
55M98.6Very high98.3Very high13 Ų1366 Ų666%0.06432%0.321CS..Hα-helixtrans-65.1-48.2176.9-171-179.4-175.200111.9W41 A44 R45 K51 S52 E53 R57 K58 H59 E179 E180 P183W41-M55 HydrophobicContact CE3-CB 4.36Å; W41-M55 HydrophobicContact CE3-CE 4.32Å; W41-M55 HydrophobicContact CE3-CG 3.78Å; W41-M55 HydrophobicContact CE3-SD 3.98Å; W41-M55 HydrophobicContact CZ3-CE 4.15Å; W41-M55 HydrophobicContact CZ3-CG 3.9Å; W41-M55 HydrophobicContact CZ3-SD 4.33Å; A44-M55 HydrophobicContact CB-SD 4.3Å; R45-M55 HydrophobicContact CG-SD 4.26Å; R45-M55 PolarHBondContact NH2-SD 2.99Å; K51-M55 WeakPolarHBondContact O-CB 3.35Å; K51-M55 PolarHBondContact O-N 3.22Å; S52-M55 PolarHBondContact O-N 3.42Å; E53-M55 VanDerWaalsContact C-N 3.25Å; E53-M55 PolarHBondContact O-N 2.65Å; M55-R57 PolarHBondContact O-N 2.86Å; M55-K58 PolarHBondContact O-N 3.28Å; M55-H59 PolarHBondContact O-N 3.38Å; M55-E179 WeakPolarHBondContact CE-O 3.31Å; M55-E180 VanDerWaalsContact CE-O 3.26Å; M55-E180 WeakPolarHBondContact CE-O 3.46Å; M55-P183 HydrophobicContact CE-CB 3.8Å; M55-P183 HydrophobicContact CE-CG 3.83Å
56L98.7Very high98.2Very high0 Ų065.1 Ų65.10%032%0.32CS..Hα-helixtrans-63-41.6178.4175.858.1000111.8F19 V23 L30 F37 L38 W41 S52 E53 K58 H59 V60F19-L56 HydrophobicContact CE1-CD2 4.2Å; F19-L56 HydrophobicContact CZ-CB 4.33Å; F19-L56 HydrophobicContact CZ-CD2 3.91Å; V23-L56 HydrophobicContact CB-CD2 4.11Å; V23-L56 HydrophobicContact CG1-CD2 4.14Å; V23-L56 HydrophobicContact CG2-CD2 3.96Å; L30-L56 HydrophobicContact CD1-CD1 3.93Å; F37-L56 HydrophobicContact CE1-CD1 3.76Å; F37-L56 HydrophobicContact CE1-CD2 4.47Å; F37-L56 HydrophobicContact CZ-CD1 3.74Å; L38-L56 HydrophobicContact CD2-CD2 4.25Å; W41-L56 HydrophobicContact CD2-CB 4.13Å; W41-L56 HydrophobicContact CD2-CD1 4.02Å; W41-L56 HydrophobicContact CE3-CB 4.32Å; W41-L56 HydrophobicContact CG-CB 4.28Å; W41-L56 HydrophobicContact CG-CD1 4.39Å; W41-L56 HydrophobicContact CZ2-CD1 3.89Å; S52-L56 WeakPolarHBondContact O-CB 3.42Å; S52-L56 PolarHBondContact O-N 2.83Å; E53-L56 PolarHBondContact O-N 2.76Å; L56-K58 VanDerWaalsContact C-N 3.34Å; L56-K58 PolarHBondContact O-N 2.8Å; L56-H59 WeakPolarHBondContact O-CA 3.41Å; L56-H59 WeakPolarHBondContact O-CB 3.45Å; L56-H59 PolarHBondContact O-N 2.77Å; L56-H59 VanDerWaalsContact O-N 3.11Å; L56-V60 WeakPolarHBondContact O-CG2 3.4Å; L56-V60 PolarHBondContact O-N 2.9Å
57R98.6Very high98.2Very high80 Ų8062.9 Ų62.930%0.30230%0.299SS..Hα-helixtrans-64.4-38177.1-70.6-178.3-179.4-72.3-4.7112N22 D25 E53 M55 H59 V60 E61N22-R57 PolarHBondContact O-NH2 2.86Å; N22-R57 VanDerWaalsContact O-NH2 3.13Å; D25-R57 IonicContact OD1-CZ 3.92Å; D25-R57 IonicContact OD1-NH1 3.8Å; D25-R57 PolarHBondContact OD1-NH1 3Å; D25-R57 IonicContact OD1-NH2 2.66Å; D25-R57 PolarHBondContact OD1-NH2 3.49Å; D25-R57 IonicContact OD2-CZ 2.69Å; D25-R57 IonicContact OD2-NH1 3.74Å; D25-R57 PolarHBondContact OD2-NH1 3.43Å; D25-R57 IonicContact OD2-NH2 2.92Å; D25-R57 PolarHBondContact OD2-NH2 2.8Å; E53-R57 HydrophobicContact CG-CG 4.32Å; E53-R57 WeakPolarHBondContact O-CB 3.5Å; E53-R57 WeakPolarHBondContact O-CG 3.39Å; E53-R57 PolarHBondContact O-N 2.92Å; E53-R57 IonicContact OE1-CZ 2.94Å; E53-R57 VanDerWaalsContact OE1-CZ 3.3Å; E53-R57 IonicContact OE1-NE 3.53Å; E53-R57 PolarHBondContact OE1-NE 2.91Å; E53-R57 IonicContact OE1-NH2 3.58Å; E53-R57 PolarHBondContact OE1-NH2 3.15Å; M55-R57 PolarHBondContact O-N 2.86Å; R57-H59 VanDerWaalsContact C-N 3.3Å; R57-H59 PolarHBondContact O-N 3.01Å; R57-V60 PolarHBondContact O-N 2.9Å; R57-E61 PolarHBondContact O-N 3.11Å
58K98.5Very high98.2Very high112 Ų11261.1 Ų61.149%0.48729%0.292SS..Hα-helixtrans-61.8-40.2171.5-167.2-174.7-174.5-168.40111.3A54 M55 L56 E61 F62 E180A54-K58 PolarHBondContact O-N 2.71Å; M55-K58 PolarHBondContact O-N 3.28Å; L56-K58 VanDerWaalsContact C-N 3.34Å; L56-K58 PolarHBondContact O-N 2.8Å; K58-E61 PolarHBondContact O-N 3.29Å; K58-F62 PolarHBondContact O-N 3.45Å; K58-E180 WeakPolarHBondContact CE-OE2 3.48Å; K58-E180 IonicContact NZ-OE1 3.81Å; K58-E180 PolarHBondContact NZ-OE1 3.14Å; K58-E180 IonicContact NZ-OE2 3.26Å; K58-E180 PolarHBondContact NZ-OE2 3.27Å
59H98.5Very high98.1Very high5 Ų563.5 Ų63.52%0.02331%0.305CS..Hα-helixtrans-63.8-40.6175.217765.3000112.8W41 M55 L56 R57 E61 F62 R63 N181W41-H59 HydrophobicContact CH2-CB 3.39Å; W41-H59 AromaticContact CH2-CD2 3.49Å; W41-H59 VanDerWaalsContact CH2-CD2 3.49Å; W41-H59 WeakPolarHBondContact CH2-CD2 3.25Å; W41-H59 AromaticContact CH2-CG 3.28Å; W41-H59 AromaticContact CH2-ND1 3.85Å; W41-H59 HydrophobicContact CZ2-CB 4.15Å; W41-H59 AromaticContact CZ2-CD2 3.46Å; W41-H59 VanDerWaalsContact CZ2-CD2 3.46Å; W41-H59 WeakPolarHBondContact CZ2-CD2 3.46Å; W41-H59 AromaticContact CZ2-CG 3.79Å; W41-H59 HydrophobicContact CZ3-CB 3.81Å; M55-H59 PolarHBondContact O-N 3.38Å; L56-H59 WeakPolarHBondContact O-CA 3.41Å; L56-H59 WeakPolarHBondContact O-CB 3.45Å; L56-H59 PolarHBondContact O-N 2.77Å; L56-H59 VanDerWaalsContact O-N 3.11Å; R57-H59 VanDerWaalsContact C-N 3.3Å; R57-H59 PolarHBondContact O-N 3.01Å; H59-E61 VanDerWaalsContact C-N 3.33Å; H59-E61 PolarHBondContact O-N 3.49Å; H59-F62 AromaticContact ND1-CD1 3.81Å; H59-F62 WeakPolarHBondContact O-CB 3.46Å; H59-F62 PolarHBondContact O-N 3.39Å; H59-R63 WeakPolarHBondContact NE2-CD 3.44Å; H59-R63 WeakPolarHBondContact O-CG 3.37Å; H59-R63 PolarHBondContact O-N 3.48Å; H59-N181 PolarHBondContact ND1-OD1 3.26Å
60V98.4Very high98.1Very high27 Ų2765.6 Ų65.616%0.16432%0.316CS..Hα-helixtrans-59-44.7175.6172.80000110.9V26 L30 L56 R57 R63 K64V26-V60 HydrophobicContact CB-CG1 4.48Å; V26-V60 HydrophobicContact CB-CG2 3.96Å; V26-V60 HydrophobicContact CG1-CG1 4.4Å; V26-V60 HydrophobicContact CG1-CG2 4.41Å; V26-V60 HydrophobicContact CG2-CG2 4.21Å; L30-V60 HydrophobicContact CD1-CG2 4.19Å; L30-V60 HydrophobicContact CD2-CG2 4.03Å; L30-V60 HydrophobicContact CG-CG2 4.29Å; L56-V60 WeakPolarHBondContact O-CG2 3.4Å; L56-V60 PolarHBondContact O-N 2.9Å; R57-V60 PolarHBondContact O-N 2.9Å; V60-R63 PolarHBondContact O-N 3.43Å; V60-K64 PolarHBondContact O-N 3.49Å
61E97.9Very high98.1Very high85 Ų8557.8 Ų57.840%0.39728%0.279SS..Hα-helixtrans-65.3-40.6175.3-177.458.1-157.600111.9R57 K58 H59 R63 K64 Q65R57-E61 PolarHBondContact O-N 3.11Å; K58-E61 PolarHBondContact O-N 3.29Å; H59-E61 VanDerWaalsContact C-N 3.33Å; H59-E61 PolarHBondContact O-N 3.49Å; E61-R63 VanDerWaalsContact C-N 3.34Å; E61-R63 PolarHBondContact O-N 2.91Å; E61-K64 PolarHBondContact O-N 2.83Å; E61-Q65 HydrophobicContact CG-CG 4.25Å; E61-Q65 WeakPolarHBondContact O-CG 3.44Å; E61-Q65 PolarHBondContact O-N 3.08Å; E61-Q65 VanDerWaalsContact OE1-CG 3.24Å; E61-Q65 WeakPolarHBondContact OE1-CG 3.41Å; E61-Q65 PolarHBondContact OE1-NE2 3.26Å
62F98.2Very high98Very high21 Ų2154.8 Ų54.89%0.09227%0.269CS..Hα-helixtrans-56.9-46.6173.3163-93.1000111.9K58 H59 K64 Q65 K66 I68 M125 M177 N181K58-F62 PolarHBondContact O-N 3.45Å; H59-F62 AromaticContact ND1-CD1 3.81Å; H59-F62 WeakPolarHBondContact O-CB 3.46Å; H59-F62 PolarHBondContact O-N 3.39Å; F62-K64 VanDerWaalsContact C-N 3.27Å; F62-K64 PolarHBondContact O-N 2.98Å; F62-Q65 PolarHBondContact O-N 3.24Å; F62-K66 HydrophobicContact CD2-CG 3.77Å; F62-K66 HydrophobicContact CE2-CB 4.34Å; F62-K66 HydrophobicContact CE2-CG 3.63Å; F62-K66 HydrophobicContact CZ-CB 4.49Å; F62-K66 HydrophobicContact CZ-CG 4.25Å; F62-K66 WeakPolarHBondContact O-CB 2.97Å; F62-K66 WeakPolarHBondContact O-CG 3.42Å; F62-K66 PolarHBondContact O-N 3.25Å; F62-I68 HydrophobicContact CD1-CG1 4.13Å; F62-I68 HydrophobicContact CE1-CD1 3.61Å; F62-I68 HydrophobicContact CE1-CG1 3.65Å; F62-I68 HydrophobicContact CZ-CD1 3.8Å; F62-I68 HydrophobicContact CZ-CG1 4.27Å; F62-M125 HydrophobicContact CE2-CE 3.88Å; F62-M125 HydrophobicContact CE2-CG 4.33Å; F62-M125 HydrophobicContact CE2-SD 3.81Å; F62-M125 HydrophobicContact CZ-CE 4.35Å; F62-M125 HydrophobicContact CZ-CG 3.86Å; F62-M125 HydrophobicContact CZ-SD 3.78Å; F62-M177 HydrophobicContact CE2-CG 3.76Å; F62-M177 HydrophobicContact CE2-SD 4.22Å; F62-M177 HydrophobicContact CZ-CG 4.09Å; F62-M177 HydrophobicContact CZ-SD 3.92Å; F62-N181 WeakPolarHBondContact CB-OD1 3.27Å; F62-N181 HydrophobicContact CD1-CB 4.1Å; F62-N181 WeakPolarHBondContact CD1-OD1 3.33Å; F62-N181 HydrophobicContact CE1-CB 3.97Å; F62-N181 WeakPolarHBondContact CG-OD1 3.39Å; F62-N181 HydrophobicContact CZ-CB 4.39Å
63R98.3Very high97.9Very high18 Ų1859 Ų597%0.06830%0.298CS..Hα-helixtrans-56.7-44.6178.5-71.8-175.672.276.36.9111.5H59 V60 E61 D67 I68 D69 E129H59-R63 WeakPolarHBondContact NE2-CD 3.44Å; H59-R63 WeakPolarHBondContact O-CG 3.37Å; H59-R63 PolarHBondContact O-N 3.48Å; V60-R63 PolarHBondContact O-N 3.43Å; E61-R63 VanDerWaalsContact C-N 3.34Å; E61-R63 PolarHBondContact O-N 2.91Å; R63-D67 WeakPolarHBondContact O-CA 3.4Å; R63-D67 PolarHBondContact O-N 2.94Å; R63-I68 HydrophobicContact CB-CB 4.14Å; R63-I68 HydrophobicContact CB-CG1 4.31Å; R63-I68 HydrophobicContact CG-CB 4.15Å; R63-I68 HydrophobicContact CG-CG1 4.29Å; R63-I68 HydrophobicContact CG-CG2 4.39Å; R63-I68 VanDerWaalsContact NH1-CG2 3.31Å; R63-I68 PolarHBondContact O-N 3.3Å; R63-D69 IonicContact CZ-OD1 2.77Å; R63-D69 IonicContact NE-OD1 2.82Å; R63-D69 IonicContact NH2-OD1 2.76Å; R63-D69 PolarHBondContact NH2-OD1 2.74Å; R63-E129 IonicContact NH1-OE2 2.82Å
64K97.1Very high97.9Very high160 Ų16059.7 Ų59.770%0.69630%0.299SS*.Hα-helixtrans-65.4-51177.6-175.4-177.2177.5-173.70112.2V60 E61 F62 K66 D67V60-K64 PolarHBondContact O-N 3.49Å; E61-K64 PolarHBondContact O-N 2.83Å; F62-K64 VanDerWaalsContact C-N 3.27Å; F62-K64 PolarHBondContact O-N 2.98Å; K64-K66 VanDerWaalsContact C-N 3.29Å; K64-K66 PolarHBondContact O-N 3.43Å; K64-D67 PolarHBondContact O-N 2.97Å
65Q96.8Very high97.8Very high129 Ų12962.1 Ų62.160%0.60330%0.299SS*.Hα-helixtrans-65.8-31.4-176.9-71.5-177.84.900113.4E61 F62E61-Q65 HydrophobicContact CG-CG 4.25Å; E61-Q65 WeakPolarHBondContact O-CG 3.44Å; E61-Q65 PolarHBondContact O-N 3.08Å; E61-Q65 VanDerWaalsContact OE1-CG 3.24Å; E61-Q65 WeakPolarHBondContact OE1-CG 3.41Å; E61-Q65 PolarHBondContact OE1-NE2 3.26Å; F62-Q65 PolarHBondContact O-N 3.24Å
66K97.2Very high97.8Very high72 Ų7262 Ų6231%0.31330%0.3SS..Hα-helixtrans-98.9-0-178.3-58.9-55.3-177.9-173.20113.7F62 K64 I68 M125F62-K66 HydrophobicContact CD2-CG 3.77Å; F62-K66 HydrophobicContact CE2-CB 4.34Å; F62-K66 HydrophobicContact CE2-CG 3.63Å; F62-K66 HydrophobicContact CZ-CB 4.49Å; F62-K66 HydrophobicContact CZ-CG 4.25Å; F62-K66 WeakPolarHBondContact O-CB 2.97Å; F62-K66 WeakPolarHBondContact O-CG 3.42Å; F62-K66 PolarHBondContact O-N 3.25Å; K64-K66 VanDerWaalsContact C-N 3.29Å; K64-K66 PolarHBondContact O-N 3.43Å; K66-I68 VanDerWaalsContact C-N 3.29Å; K66-I68 HydrophobicContact CB-CD1 3.92Å; K66-I68 HydrophobicContact CB-CG1 4.02Å; K66-I68 PolarHBondContact O-N 3.2Å; K66-M125 HydrophobicContact CB-SD 4.09Å; K66-M125 HydrophobicContact CD-CE 4.34Å; K66-M125 HydrophobicContact CD-SD 4.18Å; K66-M125 HydrophobicContact CG-CE 4.36Å; K66-M125 HydrophobicContact CG-SD 3.87Å
67D97.6Very high97.7Very high66 Ų6664.1 Ų64.135%0.35331%0.313SS..THydrogen-bonded Turntrans52.650.4-179.2-178.336.6000111.2R63 K64 D69 N70 I71 R122R63-D67 WeakPolarHBondContact O-CA 3.4Å; R63-D67 PolarHBondContact O-N 2.94Å; K64-D67 PolarHBondContact O-N 2.97Å; D67-D69 PolarHBondContact O-N 2.79Å; D67-N70 PolarHBondContact O-N 2.99Å; D67-N70 PolarHBondContact OD1-ND2 3.44Å; D67-I71 PolarHBondContact O-N 3.2Å; D67-R122 IonicContact OD2-NH2 3.87Å
68I98.3Very high97.7Very high4 Ų465.3 Ų65.32%0.02132%0.322CS..G310 helixtrans-64.2-31-175.1-64.8-66.5000111.3F62 R63 K66 N70 I71 M125 E129F62-I68 HydrophobicContact CD1-CG1 4.13Å; F62-I68 HydrophobicContact CE1-CD1 3.61Å; F62-I68 HydrophobicContact CE1-CG1 3.65Å; F62-I68 HydrophobicContact CZ-CD1 3.8Å; F62-I68 HydrophobicContact CZ-CG1 4.27Å; R63-I68 HydrophobicContact CB-CB 4.14Å; R63-I68 HydrophobicContact CB-CG1 4.31Å; R63-I68 HydrophobicContact CG-CB 4.15Å; R63-I68 HydrophobicContact CG-CG1 4.29Å; R63-I68 HydrophobicContact CG-CG2 4.39Å; R63-I68 VanDerWaalsContact NH1-CG2 3.31Å; R63-I68 PolarHBondContact O-N 3.3Å; K66-I68 VanDerWaalsContact C-N 3.29Å; K66-I68 HydrophobicContact CB-CD1 3.92Å; K66-I68 HydrophobicContact CB-CG1 4.02Å; K66-I68 PolarHBondContact O-N 3.2Å; I68-N70 PolarHBondContact O-N 3.3Å; I68-I71 HydrophobicContact CD1-CD1 3.82Å; I68-I71 HydrophobicContact CD1-CG2 4.47Å; I68-I71 HydrophobicContact CG2-CG2 4.44Å; I68-I71 VanDerWaalsContact O-CG2 3.27Å; I68-I71 WeakPolarHBondContact O-CG2 2.92Å; I68-I71 PolarHBondContact O-N 2.83Å; I68-M125 HydrophobicContact CD1-CB 4.16Å; I68-E129 HydrophobicContact CG2-CG 3.68Å; I68-E129 WeakPolarHBondContact CG2-OE1 3.37Å
69D96.3Very high97.7Very high104 Ų10460.3 Ų60.356%0.55630%0.301SS*.G310 helixtrans-61-28.5179.1-60.8-26.8000112.6R63 D67R63-D69 IonicContact CZ-OD1 2.77Å; R63-D69 IonicContact NE-OD1 2.82Å; R63-D69 IonicContact NH2-OD1 2.76Å; R63-D69 PolarHBondContact NH2-OD1 2.74Å; D67-D69 PolarHBondContact O-N 2.79Å
70N97.5Very high97.7Very high92 Ų9260.2 Ų60.249%0.49230%0.301SS..G310 helixtrans-110.43.2179.5-58.9-64.9000113.4D67 I68 I72 S73 W74D67-N70 PolarHBondContact O-N 2.99Å; D67-N70 PolarHBondContact OD1-ND2 3.44Å; I68-N70 PolarHBondContact O-N 3.3Å; N70-I72 VanDerWaalsContact C-N 3.28Å; N70-I72 PolarHBondContact O-N 3.21Å; N70-S73 PolarHBondContact O-N 3.19Å; N70-S73 PolarHBondContact O-OG 3.23Å; N70-W74 PolarHBondContact O-N 2.78Å
71I98.3Very high97.6Very high0 Ų063.8 Ų63.80%032%0.316CS..THydrogen-bonded Turntrans-68.2-25-168.1-157.6171.5000113.9D67 I68 S73 W74 R122 M125 R126 E129D67-I71 PolarHBondContact O-N 3.2Å; I68-I71 HydrophobicContact CD1-CD1 3.82Å; I68-I71 HydrophobicContact CD1-CG2 4.47Å; I68-I71 HydrophobicContact CG2-CG2 4.44Å; I68-I71 VanDerWaalsContact O-CG2 3.27Å; I68-I71 WeakPolarHBondContact O-CG2 2.92Å; I68-I71 PolarHBondContact O-N 2.83Å; I71-S73 VanDerWaalsContact C-N 3.3Å; I71-S73 PolarHBondContact O-N 3.38Å; I71-W74 WeakPolarHBondContact O-CB 3.4Å; I71-W74 PolarHBondContact O-N 3.43Å; I71-R122 HydrophobicContact CD1-CG 3.83Å; I71-R122 HydrophobicContact CG1-CG 4.24Å; I71-M125 HydrophobicContact CD1-CB 3.64Å; I71-R126 HydrophobicContact CD1-CB 4.26Å; I71-R126 HydrophobicContact CG1-CB 4Å; I71-R126 VanDerWaalsContact O-CD 3.3Å; I71-R126 WeakPolarHBondContact O-CD 3.33Å; I71-R126 WeakPolarHBondContact O-CG 3.29Å; I71-E129 HydrophobicContact CG2-CB 4.02Å; I71-E129 HydrophobicContact CG2-CG 3.58Å
72I97.3Very high97.6Very high61 Ų6163.5 Ų63.531%0.31332%0.315SS..THydrogen-bonded Turntrans-65.2-36.4178.4-69172.1000111.1N70 R126 E129 L130 Q133N70-I72 VanDerWaalsContact C-N 3.28Å; N70-I72 PolarHBondContact O-N 3.21Å; I72-R126 PolarHBondContact O-NE 3.19Å; I72-R126 VanDerWaalsContact O-NE 3.11Å; I72-R126 PolarHBondContact O-NH2 3.07Å; I72-R126 VanDerWaalsContact O-NH2 3.13Å; I72-E129 HydrophobicContact CD1-CB 4.2Å; I72-E129 HydrophobicContact CG1-CB 4.02Å; I72-L130 HydrophobicContact CG1-CD2 4.37Å; I72-L130 HydrophobicContact CG2-CD2 3.93Å; I72-Q133 HydrophobicContact CD1-CB 4.48Å
73S97.3Very high97.6Very high87 Ų8764.5 Ų64.561%0.60832%0.318SS*.THydrogen-bonded Turntrans-80.2-21.1178.767.60000112.9N70 I71N70-S73 PolarHBondContact O-N 3.19Å; N70-S73 PolarHBondContact O-OG 3.23Å; I71-S73 VanDerWaalsContact C-N 3.3Å; I71-S73 PolarHBondContact O-N 3.38Å
74W97.9Very high97.5Very high55 Ų5564.8 Ų64.821%0.20832%0.321CS..PPolyproline II helixtrans-60.7135.1172.717881.3000111.2N70 I71 P76 R122 R126N70-W74 PolarHBondContact O-N 2.78Å; I71-W74 WeakPolarHBondContact O-CB 3.4Å; I71-W74 PolarHBondContact O-N 3.43Å; W74-P76 HydrophobicContact CE3-CG 4.26Å; W74-P76 HydrophobicContact CH2-CB 4Å; W74-P76 HydrophobicContact CH2-CG 4.28Å; W74-P76 HydrophobicContact CZ3-CB 3.95Å; W74-P76 HydrophobicContact CZ3-CG 3.7Å; W74-R122 HydrophobicContact CD2-CG 4.25Å; W74-R122 HydrophobicContact CE3-CG 4.05Å; W74-R122 HydrophobicContact CH2-CB 4.05Å; W74-R122 HydrophobicContact CH2-CG 4.07Å; W74-R122 HydrophobicContact CZ2-CB 4.49Å; W74-R122 HydrophobicContact CZ2-CG 4.27Å; W74-R122 HydrophobicContact CZ3-CB 4.22Å; W74-R122 HydrophobicContact CZ3-CG 3.96Å; W74-R126 WeakPolarHBondContact O-CD 3.43Å; W74-R126 PolarHBondContact O-NE 2.69Å
75Q97.1Very high97.6Very high113 Ų11357.3 Ų57.353%0.52829%0.289SS..PPolyproline II helixtrans-103.7125.4179.2-65.1-60.2-40.500110
76P97.6Very high97.6Very high12 Ų1251.6 Ų51.68%0.07827%0.265CS..PPolyproline II helixtrans-61.7157.1172.7-19.230.2000112.2W74 I80 Q81 T123W74-P76 HydrophobicContact CE3-CG 4.26Å; W74-P76 HydrophobicContact CH2-CB 4Å; W74-P76 HydrophobicContact CH2-CG 4.28Å; W74-P76 HydrophobicContact CZ3-CB 3.95Å; W74-P76 HydrophobicContact CZ3-CG 3.7Å; P76-I80 HydrophobicContact CB-CB 4.11Å; P76-I80 HydrophobicContact CB-CG2 3.83Å; P76-Q81 HydrophobicContact CB-CG 3.98Å; P76-Q81 HydrophobicContact CG-CG 4.28Å; P76-Q81 PolarHBondContact O-NE2 2.68Å; P76-T123 HydrophobicContact CB-CG2 4.39Å; P76-T123 HydrophobicContact CG-CG2 3.99Å
77P97.9Very high97.7Very high43 Ų4348.6 Ų48.628%0.27925%0.254SS..PPolyproline II helixtrans-50.7146.1165.8-26.633.2000112.5V79 I80 Q81 D119P77-V79 VanDerWaalsContact C-N 3.27Å; P77-V79 HydrophobicContact CB-CG1 4.31Å; P77-V79 PolarHBondContact O-N 3.16Å; P77-I80 HydrophobicContact CG-CD1 4.2Å; P77-I80 WeakPolarHBondContact O-CA 3.11Å; P77-I80 WeakPolarHBondContact O-CB 3.4Å; P77-I80 PolarHBondContact O-N 3.21Å; P77-Q81 PolarHBondContact O-N 3.1Å; P77-Q81 VanDerWaalsContact O-N 3.08Å; P77-D119 HydrophobicContact CG-CB 4.09Å
78E97.8Very high97.7Very high105 Ų10549.3 Ų49.349%0.49125%0.251SS..Hα-helixtrans-52.5-43.8-177.6-175.3-170.6149.500112.6I80 Q81 Q82 Y268E78-I80 PolarHBondContact O-N 3.29Å; E78-Q81 PolarHBondContact O-N 3.16Å; E78-Q81 VanDerWaalsContact O-N 3.11Å; E78-Q82 HydrophobicContact CG-CG 4.31Å; E78-Q82 WeakPolarHBondContact O-CB 3.43Å; E78-Q82 WeakPolarHBondContact O-CG 3.28Å; E78-Q82 PolarHBondContact O-N 3.05Å; E78-Q82 PolarHBondContact OE1-NE2 2.91Å; E78-Y268 HydrophobicContact CG-CE1 4.44Å; E78-Y268 PolarHBondContact OE1-OH 3.16Å
79V98.1Very high97.7Very high7 Ų749.1 Ų49.14%0.04225%0.251CS..Hα-helixtrans-59.6-34.1178680000112.5P77 Y83 A115 I264 Y268P77-V79 VanDerWaalsContact C-N 3.27Å; P77-V79 HydrophobicContact CB-CG1 4.31Å; P77-V79 PolarHBondContact O-N 3.16Å; V79-Y83 HydrophobicContact CG2-CD2 4Å; V79-Y83 WeakPolarHBondContact O-CB 3.27Å; V79-Y83 WeakPolarHBondContact O-CD2 3.37Å; V79-Y83 PolarHBondContact O-N 3.19Å; V79-A115 HydrophobicContact CG1-CB 4.28Å; V79-I264 HydrophobicContact CG2-CD1 3.97Å; V79-I264 HydrophobicContact CG2-CG1 4.17Å; V79-I264 HydrophobicContact CG2-CG2 3.64Å; V79-Y268 HydrophobicContact CB-CD1 3.86Å; V79-Y268 HydrophobicContact CB-CE1 4.4Å; V79-Y268 HydrophobicContact CB-CG 4.06Å; V79-Y268 HydrophobicContact CG2-CD1 4.29Å; V79-Y268 HydrophobicContact CG2-CD2 4.38Å; V79-Y268 HydrophobicContact CG2-CG 3.96Å
80I98.1Very high97.8Very high3 Ų344.3 Ų44.32%0.01523%0.226CC..Hα-helixtrans-72.9-46.1175.5-70.5178.5000109.7P76 P77 E78 Q82 Y83 L84 A115 D119 L120 T123P76-I80 HydrophobicContact CB-CB 4.11Å; P76-I80 HydrophobicContact CB-CG2 3.83Å; P77-I80 HydrophobicContact CG-CD1 4.2Å; P77-I80 WeakPolarHBondContact O-CA 3.11Å; P77-I80 WeakPolarHBondContact O-CB 3.4Å; P77-I80 PolarHBondContact O-N 3.21Å; E78-I80 PolarHBondContact O-N 3.29Å; I80-Q82 PolarHBondContact O-N 3.25Å; I80-Y83 PolarHBondContact O-N 2.92Å; I80-L84 HydrophobicContact CG2-CB 3.85Å; I80-L84 HydrophobicContact CG2-CD2 3.76Å; I80-L84 HydrophobicContact CG2-CG 4.46Å; I80-L84 WeakPolarHBondContact O-CB 2.9Å; I80-L84 PolarHBondContact O-N 2.78Å; I80-A115 HydrophobicContact CD1-CB 3.73Å; I80-A115 HydrophobicContact CG1-CB 3.99Å; I80-D119 HydrophobicContact CD1-CB 3.74Å; I80-L120 HydrophobicContact CD1-CD2 3.72Å; I80-L120 HydrophobicContact CD1-CG 4.13Å; I80-L120 HydrophobicContact CG1-CD2 3.91Å; I80-T123 HydrophobicContact CG2-CG2 3.75Å
81Q96.8Very high97.9Very high103 Ų10342 Ų4248%0.48121%0.21SC..Hα-helixtrans-59.6-37.5179.2-61.5-17443.100112.4P76 P77 E78 N259P76-Q81 HydrophobicContact CB-CG 3.98Å; P76-Q81 HydrophobicContact CG-CG 4.28Å; P76-Q81 PolarHBondContact O-NE2 2.68Å; P77-Q81 PolarHBondContact O-N 3.1Å; P77-Q81 VanDerWaalsContact O-N 3.08Å; E78-Q81 PolarHBondContact O-N 3.16Å; E78-Q81 VanDerWaalsContact O-N 3.11Å; Q81-N259 PolarHBondContact O-ND2 2.93Å; Q81-N259 VanDerWaalsContact O-ND2 3.15Å
82Q97.4Very high97.9Very high79 Ų7942.5 Ų42.537%0.36921%0.213SC..Hα-helixtrans-84.9-33.1-177-70.5-175.118.500114E78 I80 N259 Y268E78-Q82 HydrophobicContact CG-CG 4.31Å; E78-Q82 WeakPolarHBondContact O-CB 3.43Å; E78-Q82 WeakPolarHBondContact O-CG 3.28Å; E78-Q82 PolarHBondContact O-N 3.05Å; E78-Q82 PolarHBondContact OE1-NE2 2.91Å; I80-Q82 PolarHBondContact O-N 3.25Å; Q82-N259 PolarHBondContact O-ND2 2.69Å; Q82-Y268 PolarHBondContact OE1-OH 2.96Å
83Y98.3Very high97.9Very high41 Ų4144.3 Ų44.316%0.16122%0.223CC..Hα-helixtrans-125.1-9.6-168.5-58.2-89.8000115.2V79 I80 S85 G261 I264 P265 Y268V79-Y83 HydrophobicContact CG2-CD2 4Å; V79-Y83 WeakPolarHBondContact O-CB 3.27Å; V79-Y83 WeakPolarHBondContact O-CD2 3.37Å; V79-Y83 PolarHBondContact O-N 3.19Å; I80-Y83 PolarHBondContact O-N 2.92Å; Y83-S85 PolarHBondContact O-N 2.99Å; Y83-S85 VanDerWaalsContact O-N 3.14Å; Y83-G261 WeakPolarHBondContact O-CA 3.49Å; Y83-I264 HydrophobicContact CD1-CG1 3.87Å; Y83-I264 HydrophobicContact CD2-CG1 4.04Å; Y83-I264 HydrophobicContact CG-CD1 4.39Å; Y83-I264 HydrophobicContact CG-CG1 3.56Å; Y83-P265 VanDerWaalsContact OH-CD 3.28Å; Y83-P265 WeakPolarHBondContact OH-CD 3.46Å; Y83-P265 WeakPolarHBondContact OH-CG 3.49Å; Y83-Y268 HydrophobicContact CE2-CD2 4.38Å; Y83-Y268 AromaticContact CE2-CE2 3.9Å; Y83-Y268 HydrophobicContact CE2-CE2 3.9Å
84L98.1Very high98Very high24 Ų2444.4 Ų44.413%0.12622%0.216CC..SBendtrans-74.6107.8170.1-176.264.3000108.8I80 L106 L111 L120 T123 N259I80-L84 HydrophobicContact CG2-CB 3.85Å; I80-L84 HydrophobicContact CG2-CD2 3.76Å; I80-L84 HydrophobicContact CG2-CG 4.46Å; I80-L84 WeakPolarHBondContact O-CB 2.9Å; I80-L84 PolarHBondContact O-N 2.78Å; L84-L106 HydrophobicContact CD1-CD1 4.2Å; L84-L111 HydrophobicContact CD1-CD1 3.88Å; L84-L120 HydrophobicContact CD1-CD2 4.38Å; L84-T123 HydrophobicContact CD2-CG2 3.83Å; L84-N259 WeakPolarHBondContact O-CB 3.39Å; L84-N259 VanDerWaalsContact O-CG 3.31Å
85S97.6Very high98Very high4 Ų442.1 Ų42.13%0.02821%0.21CC..  trans-63.4153-179.264.90000112.8Y83 I102 N259Y83-S85 PolarHBondContact O-N 2.99Å; Y83-S85 VanDerWaalsContact O-N 3.14Å; S85-I102 VanDerWaalsContact CB-O 3.28Å; S85-I102 WeakPolarHBondContact CB-O 3.38Å; S85-I102 PolarHBondContact OG-O 3.21Å; S85-N259 CarbonylContact C-O 3.51Å; S85-N259 WeakPolarHBondContact CA-O 3.23Å
86G97.8Very high98.1Very high9 Ų937 Ų379%0.09319%0.187CC..BIsolated β-bridgetrans110.8-178.1175.100000112.9Y100 N259G86-Y100 CarbonylContact C-O 3.58Å; G86-Y100 WeakPolarHBondContact CA-O 3.33Å; G86-N259 PolarHBondContact N-O 2.97Å; G86-N259 WeakPolarHBondContact O-CB 3.29Å; G86-N259 PolarHBondContact O-N 3.29Å
87G98.1Very high98.1Very high8 Ų836.4 Ų36.48%0.08218%0.183CC..EExtended strand (participates in β ladder)trans156.7167.3178.400000113.2Y100 K257G87-Y100 PolarHBondContact N-O 2.79Å; G87-Y100 PolarHBondContact O-N 3.06Å; G87-K257 WeakPolarHBondContact CA-O 3.3Å
88R98.3Very high98.2Very high82 Ų8234.4 Ų34.431%0.30917%0.17SC..EExtended strand (participates in β ladder)trans-87.9126.4178.3-173.8-170.669.291.1-14.8110.3Y91 V98 W99 L131 E134R88-Y91 PolarHBondContact NH1-OH 2.99Å; R88-V98 WeakPolarHBondContact CA-O 3.43Å; R88-W99 HydrophobicContact CB-CE3 3.96Å; R88-W99 HydrophobicContact CB-CZ3 4.2Å; R88-L131 HydrophobicContact CB-CD2 4.37Å; R88-L131 HydrophobicContact CG-CD2 3.87Å; R88-E134 IonicContact CZ-OE2 2.92Å; R88-E134 IonicContact NE-OE2 3.57Å; R88-E134 IonicContact NH1-OE2 2.63Å; R88-E134 PolarHBondContact NH1-OE2 2.88Å; R88-E134 IonicContact NH2-OE2 3.54Å; R88-E134 PolarHBondContact NH2-OE2 2.98Å
89C98.6Very high98.2Very high0 Ų030.2 Ų30.20%015%0.149CC..EExtended strand (participates in β ladder)trans-148.8115.1178.8-1650000112.4V98 Y100 K257 I258C89-V98 PolarHBondContact N-O 2.86Å; C89-Y100 HydrophobicContact CB-CD2 3.99Å; C89-Y100 HydrophobicContact CB-CE2 3.72Å; C89-Y100 WeakPolarHBondContact O-CE2 3.3Å; C89-K257 HydrophobicContact CB-CB 4.16Å; C89-K257 HydrophobicContact CB-CD 4.42Å; C89-I258 HydrophobicContact CB-CD1 3.75Å; C89-I258 HydrophobicContact CB-CG1 3.73Å
90G98.4Very high98.3Very high3 Ų329.9 Ų29.93%0.03115%0.147CC..EExtended strand (participates in β ladder)trans76.7-176.9177.400000114.8V98G90-V98 PolarHBondContact O-N 2.82Å; G90-V98 VanDerWaalsContact O-N 3.11Å
91Y98.8Very high98.3Very high43 Ų4330.1 Ų30.117%0.16915%0.149CC..EExtended strand (participates in β ladder)trans-134.9146179.5-50.9-90.1000109.6R88 C96 P97 E134 Q138 Q236R88-Y91 PolarHBondContact NH1-OH 2.99Å; Y91-C96 CarbonylContact C-O 3.51Å; Y91-C96 VanDerWaalsContact CA-O 3.25Å; Y91-C96 WeakPolarHBondContact CA-O 3.47Å; Y91-P97 HydrophobicContact CD1-CB 4.41Å; Y91-P97 HydrophobicContact CD1-CG 4.31Å; Y91-P97 HydrophobicContact CE1-CG 4.36Å; Y91-E134 HydrophobicContact CE1-CG 3.67Å; Y91-E134 VanDerWaalsContact CE1-OE1 3.28Å; Y91-E134 WeakPolarHBondContact CE1-OE1 3.34Å; Y91-E134 VanDerWaalsContact CZ-OE1 3.27Å; Y91-E134 PolarHBondContact OH-OE1 3.24Å; Y91-Q138 HydrophobicContact CD1-CG 3.6Å; Y91-Q138 VanDerWaalsContact CD1-NE2 3.28Å; Y91-Q138 HydrophobicContact CE1-CG 3.31Å; Y91-Q236 WeakPolarHBondContact O-CB 3.43Å
92D98.6Very high98.3Very high10 Ų1025.5 Ų25.55%0.05313%0.127CC..  trans-74.1174.7175.280.911.6000112D94 G95 C96 V98 T150 K187 H231 I232D92-D94 PolarHBondContact O-N 2.67Å; D92-D94 VanDerWaalsContact O-N 3.08Å; D92-D94 WeakPolarHBondContact OD1-CA 3.48Å; D92-D94 PolarHBondContact OD1-N 3.02Å; D92-G95 WeakPolarHBondContact O-CA 3.13Å; D92-G95 PolarHBondContact O-N 2.82Å; D92-G95 PolarHBondContact OD1-N 2.86Å; D92-C96 PolarHBondContact N-O 2.93Å; D92-C96 WeakPolarHBondContact OD1-CB 3.35Å; D92-C96 PolarHBondContact OD1-N 3.46Å; D92-C96 WeakPolarHBondContact OD2-CB 3.48Å; D92-V98 HydrophobicContact CB-CG2 4.18Å; D92-T150 PolarHBondContact OD2-OG1 2.94Å; D92-K187 VanDerWaalsContact CG-NZ 3.31Å; D92-K187 IonicContact OD1-NZ 2.87Å; D92-K187 PolarHBondContact OD1-NZ 2.94Å; D92-K187 WeakPolarHBondContact OD2-CD 3.39Å; D92-K187 IonicContact OD2-NZ 3.07Å; D92-K187 PolarHBondContact OD2-NZ 3.28Å; D92-H231 WeakPolarHBondContact CB-O 3.47Å; D92-I232 HydrophobicContact CB-CG1 3.94Å
93L98.5Very high98.4Very high100 Ų10023 Ų2352%0.52412%0.116SC..THydrogen-bonded Turntrans-59.4-22.2-175.9-71.4171.5000113.8K230 H231L93-K230 WeakPolarHBondContact CD1-O 3.06Å; L93-H231 WeakPolarHBondContact CB-O 3.28Å; L93-H231 VanDerWaalsContact CG-O 3.31Å; L93-H231 WeakPolarHBondContact CG-O 3.37Å; L93-H231 PolarHBondContact N-O 3.3Å
94D97.9Very high98.3Very high88 Ų8821.4 Ų21.447%0.47111%0.113SC..THydrogen-bonded Turntrans-91.2-4.8176-62.7-54.8000112.6D92 K144 I146 K187D92-D94 PolarHBondContact O-N 2.67Å; D92-D94 VanDerWaalsContact O-N 3.08Å; D92-D94 WeakPolarHBondContact OD1-CA 3.48Å; D92-D94 PolarHBondContact OD1-N 3.02Å; D94-K144 WeakPolarHBondContact O-CE 3.44Å; D94-K144 PolarHBondContact O-NZ 3.15Å; D94-I146 WeakPolarHBondContact O-CD1 3.48Å; D94-K187 IonicContact OD2-NZ 3.3Å; D94-K187 PolarHBondContact OD2-NZ 3.37Å
95G98.4Very high98.3Very high8 Ų822.3 Ų22.38%0.08212%0.12CC..SBendtrans91.79.9-17800000114.3D92 Q138D92-G95 WeakPolarHBondContact O-CA 3.13Å; D92-G95 PolarHBondContact O-N 2.82Å; D92-G95 PolarHBondContact OD1-N 2.86Å; G95-Q138 PolarHBondContact O-NE2 2.92Å
96C98.7Very high98.3Very high5 Ų523.7 Ų23.73%0.03413%0.127CC..  trans-74.8135.5177.2-65.30000110.6Y91 D92 T148 K187Y91-C96 CarbonylContact C-O 3.51Å; Y91-C96 VanDerWaalsContact CA-O 3.25Å; Y91-C96 WeakPolarHBondContact CA-O 3.47Å; D92-C96 PolarHBondContact N-O 2.93Å; D92-C96 WeakPolarHBondContact OD1-CB 3.35Å; D92-C96 PolarHBondContact OD1-N 3.46Å; D92-C96 WeakPolarHBondContact OD2-CB 3.48Å; C96-T148 VanDerWaalsContact CB-O 3.27Å; C96-T148 WeakPolarHBondContact CB-O 3.37Å; C96-T148 PolarHBondContact SG-O 2.86Å; C96-T148 PolarHBondContact SG-OG1 3.49Å; C96-K187 HydrophobicContact CB-CD 4.24Å
97P98.8Very high98.3Very high0 Ų024.6 Ų24.60%013%0.13CC..EExtended strand (participates in β ladder)trans-58.8143.4176.4-2334.4000112.1Y91 L131 E134 T150Y91-P97 HydrophobicContact CD1-CB 4.41Å; Y91-P97 HydrophobicContact CD1-CG 4.31Å; Y91-P97 HydrophobicContact CE1-CG 4.36Å; P97-L131 HydrophobicContact CB-CD2 3.98Å; P97-E134 HydrophobicContact CB-CB 4.46Å; P97-E134 HydrophobicContact CB-CG 4.04Å; P97-E134 HydrophobicContact CG-CB 3.98Å; P97-E134 HydrophobicContact CG-CG 3.66Å; P97-T150 PolarHBondContact O-N 2.9Å
98V98.9Very high98.1Very high0 Ų024.9 Ų24.90%013%0.131CC..EExtended strand (participates in β ladder)trans-107.1127.8177.1-174.10000110.7R88 C89 G90 D92 Y100 T150 I152 I232R88-V98 WeakPolarHBondContact CA-O 3.43Å; C89-V98 PolarHBondContact N-O 2.86Å; G90-V98 PolarHBondContact O-N 2.82Å; G90-V98 VanDerWaalsContact O-N 3.11Å; D92-V98 HydrophobicContact CB-CG2 4.18Å; V98-Y100 HydrophobicContact CB-CE2 4.24Å; V98-Y100 HydrophobicContact CG1-CD2 4.28Å; V98-Y100 HydrophobicContact CG1-CE2 3.57Å; V98-T150 CarbonylContact C-O 3.47Å; V98-T150 VanDerWaalsContact CA-O 3.28Å; V98-T150 WeakPolarHBondContact CA-O 3.41Å; V98-T150 HydrophobicContact CG1-CG2 4.38Å; V98-T150 HydrophobicContact CG2-CG2 4.43Å; V98-I152 HydrophobicContact CG1-CD1 3.82Å; V98-I152 HydrophobicContact CG1-CG1 4.14Å; V98-I232 HydrophobicContact CG1-CD1 4.11Å; V98-I232 HydrophobicContact CG2-CD1 3.95Å; V98-I232 HydrophobicContact CG2-CG1 4.33Å
99W98.8Very high97.9Very high18 Ų1824.4 Ų24.47%0.06813%0.131CC..EExtended strand (participates in β ladder)trans-109.4139.2174.7-179.1-91000111R88 D101 D127 L131 T150 M151 I152R88-W99 HydrophobicContact CB-CE3 3.96Å; R88-W99 HydrophobicContact CB-CZ3 4.2Å; W99-D101 VanDerWaalsContact NE1-CG 3.3Å; W99-D101 PolarHBondContact NE1-OD1 3.5Å; W99-D101 PolarHBondContact NE1-OD2 2.92Å; W99-D127 HydrophobicContact CH2-CB 3.59Å; W99-D127 WeakPolarHBondContact CH2-OD2 3.35Å; W99-D127 HydrophobicContact CZ2-CB 4.17Å; W99-D127 HydrophobicContact CZ3-CB 3.9Å; W99-L131 HydrophobicContact CB-CD1 4.17Å; W99-L131 HydrophobicContact CB-CD2 4.38Å; W99-L131 HydrophobicContact CD2-CD1 4.16Å; W99-L131 HydrophobicContact CE3-CD1 3.86Å; W99-L131 HydrophobicContact CE3-CD2 4.21Å; W99-L131 HydrophobicContact CE3-CG 4.19Å; W99-L131 HydrophobicContact CG-CD1 4.29Å; W99-T150 PolarHBondContact N-O 3.36Å; W99-M151 HydrophobicContact CB-CG 4.38Å; W99-M151 HydrophobicContact CG-CE 4.29Å; W99-M151 CarbonylContact O-C 3.49Å; W99-M151 WeakPolarHBondContact O-CA 3.24Å; W99-I152 PolarHBondContact O-N 3.46Å
100Y98.8Very high97.9Very high0 Ų024.4 Ų24.40%013%0.131CC..EExtended strand (participates in β ladder)trans-113.3135.8176.6-64.8-103.3000109.9G86 G87 C89 V98 I152 L237 P238 Y241 I258G86-Y100 CarbonylContact C-O 3.58Å; G86-Y100 WeakPolarHBondContact CA-O 3.33Å; G87-Y100 PolarHBondContact N-O 2.79Å; G87-Y100 PolarHBondContact O-N 3.06Å; C89-Y100 HydrophobicContact CB-CD2 3.99Å; C89-Y100 HydrophobicContact CB-CE2 3.72Å; C89-Y100 WeakPolarHBondContact O-CE2 3.3Å; V98-Y100 HydrophobicContact CB-CE2 4.24Å; V98-Y100 HydrophobicContact CG1-CD2 4.28Å; V98-Y100 HydrophobicContact CG1-CE2 3.57Å; Y100-I152 WeakPolarHBondContact CA-O 3.44Å; Y100-I152 HydrophobicContact CD1-CB 3.92Å; Y100-I152 HydrophobicContact CD1-CD1 4.33Å; Y100-I152 HydrophobicContact CD1-CG2 4.02Å; Y100-I152 HydrophobicContact CE1-CB 4.03Å; Y100-I152 HydrophobicContact CE1-CD1 3.56Å; Y100-I152 HydrophobicContact CE1-CG1 4.35Å; Y100-I152 HydrophobicContact CE1-CG2 4.12Å; Y100-L237 WeakPolarHBondContact OH-CD1 3.21Å; Y100-P238 WeakPolarHBondContact OH-CD 3.19Å; Y100-Y241 HydrophobicContact CD1-CD2 4.02Å; Y100-Y241 HydrophobicContact CD1-CE1 4.34Å; Y100-Y241 AromaticContact CD1-CE2 3.72Å; Y100-Y241 HydrophobicContact CD1-CE2 3.72Å; Y100-Y241 HydrophobicContact CD1-CG 4.48Å; Y100-Y241 AromaticContact CD1-CZ 3.91Å; Y100-Y241 HydrophobicContact CE1-CD1 4.29Å; Y100-Y241 AromaticContact CE1-CD2 3.54Å; Y100-Y241 HydrophobicContact CE1-CD2 3.54Å; Y100-Y241 HydrophobicContact CE1-CE1 4.46Å; Y100-Y241 AromaticContact CE1-CE2 3.76Å; Y100-Y241 HydrophobicContact CE1-CE2 3.76Å; Y100-Y241 AromaticContact CE1-CG 3.86Å; Y100-Y241 HydrophobicContact CE1-CG 3.86Å; Y100-I258 HydrophobicContact CD1-CD1 4.22Å; Y100-I258 HydrophobicContact CD2-CD1 3.88Å; Y100-I258 HydrophobicContact CD2-CG1 4.35Å; Y100-I258 HydrophobicContact CE1-CD1 4.48Å; Y100-I258 HydrophobicContact CE2-CD1 4.2Å; Y100-I258 HydrophobicContact CG-CD1 3.92Å; Y100-I258 HydrophobicContact CG-CG1 4.5Å
101D98Very high97.8Very high7 Ų724.6 Ų24.64%0.03713%0.131CC..EExtended strand (participates in β ladder)trans-120.5126.7162.8-80-57.8000108.5W99 I103 K124 I152 Y153 D154W99-D101 VanDerWaalsContact NE1-CG 3.3Å; W99-D101 PolarHBondContact NE1-OD1 3.5Å; W99-D101 PolarHBondContact NE1-OD2 2.92Å; D101-I103 HydrophobicContact CB-CD1 4.24Å; D101-K124 IonicContact OD1-NZ 3.54Å; D101-K124 PolarHBondContact OD1-NZ 3.14Å; D101-I152 PolarHBondContact N-O 3.43Å; D101-Y153 HydrophobicContact CB-CD1 4.37Å; D101-Y153 HydrophobicContact CB-CD2 4.35Å; D101-Y153 HydrophobicContact CB-CE1 4.05Å; D101-Y153 HydrophobicContact CB-CE2 4.02Å; D101-Y153 HydrophobicContact CB-CG 4.5Å; D101-Y153 WeakPolarHBondContact OD2-CE2 3.3Å; D101-Y153 PolarHBondContact OD2-OH 2.75Å; D101-D154 PolarHBondContact O-N 3.04Å
102I98.5Very high97.7Very high7 Ų723.1 Ų23.14%0.03613%0.126CC..EExtended strand (participates in β ladder)trans-109.699.8-174.7-40.1-48.1000109.4S85 P105 D154 Y241 I258 Y260S85-I102 VanDerWaalsContact CB-O 3.28Å; S85-I102 WeakPolarHBondContact CB-O 3.38Å; S85-I102 PolarHBondContact OG-O 3.21Å; I102-P105 HydrophobicContact CB-CG 4.42Å; I102-P105 HydrophobicContact CG2-CG 3.78Å; I102-D154 HydrophobicContact CD1-CB 4.06Å; I102-D154 HydrophobicContact CG2-CB 4.39Å; I102-Y241 WeakPolarHBondContact CD1-OH 3.38Å; I102-I258 HydrophobicContact CD1-CG2 4.16Å; I102-I258 HydrophobicContact CG1-CG2 4.05Å; I102-Y260 HydrophobicContact CG1-CD1 4.38Å; I102-Y260 HydrophobicContact CG2-CD1 4.2Å
103I97.9Very high97.6Very high25 Ų2523.4 Ų23.413%0.12813%0.127CC..  trans-79.6-50.2-163-54.5-57.3000112.8D101 P105 L106 Y153 D154 L158 H162D101-I103 HydrophobicContact CB-CD1 4.24Å; I103-P105 VanDerWaalsContact C-CD 3.48Å; I103-L106 WeakPolarHBondContact O-CB 3.39Å; I103-L106 PolarHBondContact O-N 2.92Å; I103-Y153 HydrophobicContact CD1-CD1 4.28Å; I103-Y153 HydrophobicContact CD1-CE1 4.32Å; I103-D154 WeakPolarHBondContact CB-O 3.46Å; I103-D154 WeakPolarHBondContact CG1-O 3.25Å; I103-D154 PolarHBondContact N-O 3.29Å; I103-L158 HydrophobicContact CG2-CB 4.36Å; I103-L158 HydrophobicContact CG2-CD1 3.88Å; I103-H162 PolarHBondContact O-NE2 2.98Å
104G97.6Very high97.6Very high9 Ų919.2 Ų19.29%0.09311%0.106CC..THydrogen-bonded Turntrans-51.9-44.9-172.200000117.1L106 E156 K161 H162G104-L106 VanDerWaalsContact C-N 3.25Å; G104-L106 PolarHBondContact O-N 3.26Å; G104-E156 WeakPolarHBondContact CA-O 3.12Å; G104-E156 PolarHBondContact N-O 3.4Å; G104-K161 WeakPolarHBondContact O-CE 3.24Å; G104-K161 PolarHBondContact O-NZ 3.47Å; G104-H162 PolarHBondContact O-NE2 3.37Å
105P97.8Very high97.5Very high43 Ų4315.2 Ų15.228%0.2799%0.085SC..THydrogen-bonded Turntrans-82.11.5-179.333.7-36.1000113.6I102 I103 D107 Y260 G262I102-P105 HydrophobicContact CB-CG 4.42Å; I102-P105 HydrophobicContact CG2-CG 3.78Å; I103-P105 VanDerWaalsContact C-CD 3.48Å; P105-D107 PolarHBondContact O-N 3.3Å; P105-Y260 WeakPolarHBondContact CB-O 3.5Å; P105-Y260 WeakPolarHBondContact CG-O 3.26Å; P105-G262 PolarHBondContact O-N 3.25Å
106L96.9Very high97.3Very high33 Ų3316.1 Ų16.117%0.1739%0.09CC..BIsolated β-bridgetrans-69.5116.2179.8-171.369000111L84 I103 G104 A108 L111L84-L106 HydrophobicContact CD1-CD1 4.2Å; I103-L106 WeakPolarHBondContact O-CB 3.39Å; I103-L106 PolarHBondContact O-N 2.92Å; G104-L106 VanDerWaalsContact C-N 3.25Å; G104-L106 PolarHBondContact O-N 3.26Å; L106-A108 PolarHBondContact O-N 3.41Å; L106-A108 VanDerWaalsContact O-N 3.15Å; L106-L111 HydrophobicContact CD1-CD1 3.39Å; L106-L111 HydrophobicContact CG-CD1 4.15Å
107D97.6Very high97.1Very high28 Ų2819.6 Ų19.615%0.1511%0.105CC..  trans-8479168.4-177.47.2000110.4P105 K109 G110 L111 I264P105-D107 PolarHBondContact O-N 3.3Å; D107-K109 VanDerWaalsContact C-N 3.28Å; D107-K109 PolarHBondContact O-N 3.5Å; D107-G110 PolarHBondContact O-N 3.36Å; D107-G110 PolarHBondContact OD1-N 2.94Å; D107-G110 WeakPolarHBondContact OD2-CA 3.39Å; D107-L111 WeakPolarHBondContact O-CB 3.27Å; D107-L111 WeakPolarHBondContact O-CG 3.49Å; D107-L111 PolarHBondContact O-N 2.94Å; D107-I264 HydrophobicContact CB-CG1 4.49Å; D107-I264 PolarHBondContact OD2-N 3.42Å
108A94.7Very high96.9Very high13 Ų1326.3 Ų26.311%0.10714%0.136CC..Hα-helixtrans-62.6-33.4-176.200000113.2L106 L112 A167L106-A108 PolarHBondContact O-N 3.41Å; L106-A108 VanDerWaalsContact O-N 3.15Å; A108-L112 PolarHBondContact O-N 3.07Å; A108-A167 HydrophobicContact CB-CB 3.68Å
109K94.4Very high96.8Very high73 Ų7328.6 Ų28.632%0.31715%0.149SC..Hα-helixtrans-73.5-46.4178.2-165.9164.4-177.11690110.2D107 L111 L112 F113 W164 D350D107-K109 VanDerWaalsContact C-N 3.28Å; D107-K109 PolarHBondContact O-N 3.5Å; K109-L111 VanDerWaalsContact C-N 3.31Å; K109-L111 PolarHBondContact O-N 3.41Å; K109-L112 PolarHBondContact O-N 3.19Å; K109-F113 HydrophobicContact CD-CE2 4.49Å; K109-F113 HydrophobicContact CD-CZ 4.26Å; K109-F113 VanDerWaalsContact CE-CZ 3.45Å; K109-F113 HydrophobicContact CG-CD1 4.4Å; K109-F113 HydrophobicContact CG-CD2 4.4Å; K109-F113 HydrophobicContact CG-CE1 4.04Å; K109-F113 HydrophobicContact CG-CE2 4.03Å; K109-F113 HydrophobicContact CG-CZ 3.84Å; K109-F113 WeakPolarHBondContact O-CB 3.37Å; K109-F113 WeakPolarHBondContact O-CD1 3.39Å; K109-F113 WeakPolarHBondContact O-CG 3.24Å; K109-F113 PolarHBondContact O-N 2.91Å; K109-W164 HydrophobicContact CB-CE3 4.15Å; K109-W164 HydrophobicContact CB-CZ3 4.09Å; K109-W164 HydrophobicContact CD-CZ2 4.49Å; K109-W164 HydrophobicContact CG-CE3 4.27Å; K109-W164 HydrophobicContact CG-CH2 4Å; K109-W164 HydrophobicContact CG-CZ2 4.27Å; K109-W164 HydrophobicContact CG-CZ3 3.98Å; K109-D350 IonicContact NZ-OD1 2.67Å; K109-D350 PolarHBondContact NZ-OD1 3.49Å
110G97.3Very high96.7Very high0 Ų028.9 Ų28.90%015%0.151CC..Hα-helixtrans-57.9-40.9173.400000113D107 F113 S114 I264 Y269D107-G110 PolarHBondContact O-N 3.36Å; D107-G110 PolarHBondContact OD1-N 2.94Å; D107-G110 WeakPolarHBondContact OD2-CA 3.39Å; G110-F113 PolarHBondContact O-N 3.41Å; G110-S114 WeakPolarHBondContact O-CB 3.42Å; G110-S114 PolarHBondContact O-N 2.89Å; G110-S114 PolarHBondContact O-OG 3.45Å; G110-I264 VanDerWaalsContact C-CD1 3.44Å; G110-Y269 WeakPolarHBondContact CA-OH 3.22Å
111L97.5Very high96.6Very high6 Ų629.9 Ų29.93%0.03116%0.156CC..Hα-helixtrans-62.9-47.8177-81.3172.4000111.6L84 L106 D107 K109 F113 S114 A115 L120 I264L84-L111 HydrophobicContact CD1-CD1 3.88Å; L106-L111 HydrophobicContact CD1-CD1 3.39Å; L106-L111 HydrophobicContact CG-CD1 4.15Å; D107-L111 WeakPolarHBondContact O-CB 3.27Å; D107-L111 WeakPolarHBondContact O-CG 3.49Å; D107-L111 PolarHBondContact O-N 2.94Å; K109-L111 VanDerWaalsContact C-N 3.31Å; K109-L111 PolarHBondContact O-N 3.41Å; L111-F113 VanDerWaalsContact C-N 3.26Å; L111-F113 PolarHBondContact O-N 2.89Å; L111-S114 PolarHBondContact O-N 3.36Å; L111-A115 PolarHBondContact O-N 3.15Å; L111-L120 HydrophobicContact CB-CD2 4.49Å; L111-L120 HydrophobicContact CD2-CD2 4.29Å; L111-I264 HydrophobicContact CB-CD1 4.09Å; L111-I264 HydrophobicContact CD2-CD1 3.56Å; L111-I264 HydrophobicContact CG-CD1 3.48Å; L111-I264 VanDerWaalsContact CG-CD1 3.48Å; L111-I264 VanDerWaalsContact N-CD1 3.26Å
112L96.1Very high96.6Very high12 Ų1232.8 Ų32.86%0.06317%0.167CC..Hα-helixtrans-73.8-17.7-179.6-75.3170.9000113.5A108 K109 K117 L120 W164 P166 A167 A170 R271A108-L112 PolarHBondContact O-N 3.07Å; K109-L112 PolarHBondContact O-N 3.19Å; L112-K117 HydrophobicContact CD2-CB 4.43Å; L112-L120 HydrophobicContact CD2-CD1 3.61Å; L112-L120 HydrophobicContact CG-CD1 4.18Å; L112-W164 HydrophobicContact CB-CH2 4.27Å; L112-W164 HydrophobicContact CB-CZ3 3.91Å; L112-W164 HydrophobicContact CD1-CE3 4.16Å; L112-W164 HydrophobicContact CD1-CH2 4.31Å; L112-W164 HydrophobicContact CD1-CZ3 3.5Å; L112-W164 VanDerWaalsContact CD1-CZ3 3.5Å; L112-W164 HydrophobicContact CG-CZ3 4.32Å; L112-P166 HydrophobicContact CD1-CB 4Å; L112-A167 HydrophobicContact CD1-CB 4.21Å; L112-A170 HydrophobicContact CD2-CB 4.4Å; L112-R271 PolarHBondContact O-NH1 3.38Å
113F96.6Very high96.6Very high16 Ų1632.7 Ų32.77%0.0717%0.167CC..Hα-helixtrans-85.3-23.7171.2-76.112.5000112.5K109 G110 L111 W164 Y269 V270 R271 D272 V274K109-F113 HydrophobicContact CD-CE2 4.49Å; K109-F113 HydrophobicContact CD-CZ 4.26Å; K109-F113 VanDerWaalsContact CE-CZ 3.45Å; K109-F113 HydrophobicContact CG-CD1 4.4Å; K109-F113 HydrophobicContact CG-CD2 4.4Å; K109-F113 HydrophobicContact CG-CE1 4.04Å; K109-F113 HydrophobicContact CG-CE2 4.03Å; K109-F113 HydrophobicContact CG-CZ 3.84Å; K109-F113 WeakPolarHBondContact O-CB 3.37Å; K109-F113 WeakPolarHBondContact O-CD1 3.39Å; K109-F113 WeakPolarHBondContact O-CG 3.24Å; K109-F113 PolarHBondContact O-N 2.91Å; G110-F113 PolarHBondContact O-N 3.41Å; L111-F113 VanDerWaalsContact C-N 3.26Å; L111-F113 PolarHBondContact O-N 2.89Å; F113-W164 HydrophobicContact CD1-CH2 4.32Å; F113-W164 AromaticContact CE1-CH2 3.77Å; F113-W164 HydrophobicContact CE1-CH2 3.77Å; F113-W164 HydrophobicContact CE1-CZ2 4.13Å; F113-Y269 HydrophobicContact CB-CD2 3.87Å; F113-Y269 HydrophobicContact CB-CE2 4.08Å; F113-Y269 HydrophobicContact CB-CG 4.1Å; F113-Y269 AromaticContact CD2-CD2 3.76Å; F113-Y269 HydrophobicContact CD2-CD2 3.76Å; F113-Y269 AromaticContact CD2-CE2 3.62Å; F113-Y269 HydrophobicContact CD2-CE2 3.62Å; F113-Y269 HydrophobicContact CG-CD2 4.35Å; F113-Y269 HydrophobicContact CG-CE2 4.35Å; F113-V270 VanDerWaalsContact O-CG2 3.26Å; F113-V270 WeakPolarHBondContact O-CG2 3.02Å; F113-V270 PolarHBondContact O-N 2.76Å; F113-R271 HydrophobicContact CB-CG 4.43Å; F113-R271 WeakPolarHBondContact CB-O 3.17Å; F113-R271 HydrophobicContact CD1-CG 4.38Å; F113-R271 PolarHBondContact O-N 3.04Å; F113-D272 WeakPolarHBondContact CE2-O 3.23Å; F113-D272 WeakPolarHBondContact CZ-O 3.45Å; F113-V274 HydrophobicContact CD1-CG2 4.17Å; F113-V274 HydrophobicContact CE1-CG2 4.02Å
114S97.8Very high96.6Very high12 Ų1232.6 Ų32.68%0.08417%0.165CC..Hα-helixtrans-102.6-22.7-176.5-530000114G110 L111 Y268 Y269G110-S114 WeakPolarHBondContact O-CB 3.42Å; G110-S114 PolarHBondContact O-N 2.89Å; G110-S114 PolarHBondContact O-OG 3.45Å; L111-S114 PolarHBondContact O-N 3.36Å; S114-Y268 VanDerWaalsContact CA-O 3.31Å; S114-Y268 WeakPolarHBondContact CA-O 3.48Å; S114-Y268 VanDerWaalsContact CB-O 3.25Å; S114-Y268 WeakPolarHBondContact CB-O 3.14Å; S114-Y268 PolarHBondContact OG-O 3.1Å; S114-Y269 VanDerWaalsContact OG-CD1 3.23Å; S114-Y269 WeakPolarHBondContact OG-CD1 3.37Å
115A96.5Very high96.7Very high4 Ų432.5 Ų32.53%0.03316%0.163CC..SBendtrans-131.4162.2-179.800000111.6V79 I80 L111 R271V79-A115 HydrophobicContact CG1-CB 4.28Å; I80-A115 HydrophobicContact CD1-CB 3.73Å; I80-A115 HydrophobicContact CG1-CB 3.99Å; L111-A115 PolarHBondContact O-N 3.15Å; A115-R271 PolarHBondContact O-NH1 3.14Å
116S94.8Very high96.7Very high28 Ų2832.5 Ų32.520%0.19616%0.157CC..  trans-77.9151.817078.90000110.4Q118 D119 L120S116-Q118 PolarHBondContact O-N 3.18Å; S116-Q118 PolarHBondContact OG-N 3.23Å; S116-D119 WeakPolarHBondContact CB-OD2 3.37Å; S116-D119 PolarHBondContact N-OD2 3.04Å; S116-D119 PolarHBondContact O-N 3.37Å; S116-D119 VanDerWaalsContact O-N 3.15Å; S116-D119 PolarHBondContact OG-N 2.66Å; S116-D119 PolarHBondContact OG-OD2 3.06Å; S116-L120 PolarHBondContact O-N 3.17Å
117K93.4Very high96.8Very high78 Ų7831.8 Ų31.834%0.33915%0.154SC..Hα-helixtrans-55.8-34169-177177.462.8170.50111.4L112 L120 L121 A170 E173L112-K117 HydrophobicContact CD2-CB 4.43Å; K117-L120 PolarHBondContact O-N 3.27Å; K117-L121 HydrophobicContact CG-CD1 3.97Å; K117-L121 HydrophobicContact CG-CG 4.38Å; K117-L121 WeakPolarHBondContact O-CB 3.35Å; K117-L121 VanDerWaalsContact O-CG 3.3Å; K117-L121 WeakPolarHBondContact O-CG 3.47Å; K117-L121 PolarHBondContact O-N 3.38Å; K117-A170 HydrophobicContact CD-CB 4.02Å; K117-A170 HydrophobicContact CG-CB 4Å; K117-E173 WeakPolarHBondContact CD-OE2 3.45Å; K117-E173 WeakPolarHBondContact CE-OE2 3.36Å; K117-E173 IonicContact NZ-OE1 2.67Å; K117-E173 PolarHBondContact NZ-OE1 3.42Å; K117-E173 IonicContact NZ-OE2 3.14Å; K117-E173 PolarHBondContact NZ-OE2 3.46Å
118Q94.7Very high96.8Very high140 Ų14031 Ų3165%0.65415%0.15SC*.Hα-helixtrans-65.8-39.7178.2-67.3-177.8-14.200112.2S116 L121 R122S116-Q118 PolarHBondContact O-N 3.18Å; S116-Q118 PolarHBondContact OG-N 3.23Å; Q118-L121 PolarHBondContact O-N 2.72Å; Q118-R122 WeakPolarHBondContact O-CB 3.19Å; Q118-R122 PolarHBondContact O-N 3.29Å
119D97.4Very high97Very high49 Ų4931.3 Ų31.326%0.26215%0.149SC..Hα-helixtrans-67.7-38.9176.8-61.8-47.3000111.7P77 I80 S116 R122 T123P77-D119 HydrophobicContact CG-CB 4.09Å; I80-D119 HydrophobicContact CD1-CB 3.74Å; S116-D119 WeakPolarHBondContact CB-OD2 3.37Å; S116-D119 PolarHBondContact N-OD2 3.04Å; S116-D119 PolarHBondContact O-N 3.37Å; S116-D119 VanDerWaalsContact O-N 3.15Å; S116-D119 PolarHBondContact OG-N 2.66Å; S116-D119 PolarHBondContact OG-OD2 3.06Å; D119-R122 PolarHBondContact O-N 2.87Å; D119-T123 WeakPolarHBondContact O-CB 3.41Å; D119-T123 PolarHBondContact O-N 2.88Å; D119-T123 PolarHBondContact O-OG1 2.91Å
120L97.1Very high97.2Very high23 Ų2330.1 Ų30.112%0.1215%0.146CC..Hα-helixtrans-62.2-48.8174.1-68.5170000111.2I80 L84 L111 L112 S116 K117 T123 K124I80-L120 HydrophobicContact CD1-CD2 3.72Å; I80-L120 HydrophobicContact CD1-CG 4.13Å; I80-L120 HydrophobicContact CG1-CD2 3.91Å; L84-L120 HydrophobicContact CD1-CD2 4.38Å; L111-L120 HydrophobicContact CB-CD2 4.49Å; L111-L120 HydrophobicContact CD2-CD2 4.29Å; L112-L120 HydrophobicContact CD2-CD1 3.61Å; L112-L120 HydrophobicContact CG-CD1 4.18Å; S116-L120 PolarHBondContact O-N 3.17Å; K117-L120 PolarHBondContact O-N 3.27Å; L120-T123 WeakPolarHBondContact O-CB 3.44Å; L120-T123 PolarHBondContact O-N 3.32Å; L120-K124 PolarHBondContact O-N 2.63Å
121L96.9Very high97.2Very high21 Ų2130.5 Ų30.511%0.1115%0.148CC..Hα-helixtrans-62.7-43.4177.1-72.2169.8000111.6K117 Q118 T123 K124 M125 E173 F174K117-L121 HydrophobicContact CG-CD1 3.97Å; K117-L121 HydrophobicContact CG-CG 4.38Å; K117-L121 WeakPolarHBondContact O-CB 3.35Å; K117-L121 VanDerWaalsContact O-CG 3.3Å; K117-L121 WeakPolarHBondContact O-CG 3.47Å; K117-L121 PolarHBondContact O-N 3.38Å; Q118-L121 PolarHBondContact O-N 2.72Å; L121-T123 VanDerWaalsContact C-N 3.29Å; L121-T123 PolarHBondContact O-N 3.43Å; L121-K124 PolarHBondContact O-N 3.43Å; L121-M125 HydrophobicContact CB-CE 3.94Å; L121-M125 VanDerWaalsContact O-CG 3.25Å; L121-M125 WeakPolarHBondContact O-CG 3.34Å; L121-M125 PolarHBondContact O-N 2.97Å; L121-E173 HydrophobicContact CD1-CB 4.28Å; L121-E173 HydrophobicContact CD2-CB 4.09Å; L121-F174 HydrophobicContact CD2-CB 3.8Å
122R98.3Very high97.2Very high68 Ų6832.3 Ų32.326%0.25716%0.157SC..Hα-helixtrans-63.1-36.8177.2-168.9172.8-173.4138.26.1111.6D67 I71 W74 Q118 D119 M125 R126D67-R122 IonicContact OD2-NH2 3.87Å; I71-R122 HydrophobicContact CD1-CG 3.83Å; I71-R122 HydrophobicContact CG1-CG 4.24Å; W74-R122 HydrophobicContact CD2-CG 4.25Å; W74-R122 HydrophobicContact CE3-CG 4.05Å; W74-R122 HydrophobicContact CH2-CB 4.05Å; W74-R122 HydrophobicContact CH2-CG 4.07Å; W74-R122 HydrophobicContact CZ2-CB 4.49Å; W74-R122 HydrophobicContact CZ2-CG 4.27Å; W74-R122 HydrophobicContact CZ3-CB 4.22Å; W74-R122 HydrophobicContact CZ3-CG 3.96Å; Q118-R122 WeakPolarHBondContact O-CB 3.19Å; Q118-R122 PolarHBondContact O-N 3.29Å; D119-R122 PolarHBondContact O-N 2.87Å; R122-M125 PolarHBondContact O-N 3.34Å; R122-R126 WeakPolarHBondContact O-CB 3.06Å; R122-R126 PolarHBondContact O-N 3.35Å
123T98.4Very high97.3Very high6 Ų635.5 Ų35.54%0.03717%0.172CC..Hα-helixtrans-62.7-46.4172.9-55.50000111.1P76 I80 L84 D119 L120 L121 M125 R126 D127P76-T123 HydrophobicContact CB-CG2 4.39Å; P76-T123 HydrophobicContact CG-CG2 3.99Å; I80-T123 HydrophobicContact CG2-CG2 3.75Å; L84-T123 HydrophobicContact CD2-CG2 3.83Å; D119-T123 WeakPolarHBondContact O-CB 3.41Å; D119-T123 PolarHBondContact O-N 2.88Å; D119-T123 PolarHBondContact O-OG1 2.91Å; L120-T123 WeakPolarHBondContact O-CB 3.44Å; L120-T123 PolarHBondContact O-N 3.32Å; L121-T123 VanDerWaalsContact C-N 3.29Å; L121-T123 PolarHBondContact O-N 3.43Å; T123-M125 VanDerWaalsContact C-N 3.34Å; T123-M125 PolarHBondContact O-N 3.01Å; T123-R126 VanDerWaalsContact O-CB 3.31Å; T123-R126 WeakPolarHBondContact O-CB 3.28Å; T123-R126 PolarHBondContact O-N 3.46Å; T123-R126 VanDerWaalsContact O-N 3.14Å; T123-D127 VanDerWaalsContact O-CG 3.23Å; T123-D127 PolarHBondContact O-N 3.12Å
124K98Very high97.4Very high22 Ų2235.7 Ų35.710%0.09617%0.173CC..Hα-helixtrans-65.8-33.7176.7-67.6-62.5-175.1-177.30113.3D101 L120 L121 D127 C128 F174D101-K124 IonicContact OD1-NZ 3.54Å; D101-K124 PolarHBondContact OD1-NZ 3.14Å; L120-K124 PolarHBondContact O-N 2.63Å; L121-K124 PolarHBondContact O-N 3.43Å; K124-D127 PolarHBondContact O-N 3.26Å; K124-C128 PolarHBondContact O-N 2.99Å; K124-C128 VanDerWaalsContact O-N 3.07Å; K124-C128 PolarHBondContact O-SG 3.44Å; K124-F174 HydrophobicContact CB-CD2 3.49Å; K124-F174 VanDerWaalsContact CB-CD2 3.49Å; K124-F174 HydrophobicContact CB-CE2 3.73Å; K124-F174 HydrophobicContact CB-CG 4.37Å; K124-F174 HydrophobicContact CD-CE2 4.35Å; K124-F174 HydrophobicContact CG-CD2 3.89Å; K124-F174 HydrophobicContact CG-CE2 4.15Å; K124-F174 HydrophobicContact CG-CG 4.34Å
125M98.5Very high97.5Very high8 Ų835.3 Ų35.34%0.03917%0.17CC..Hα-helixtrans-63.7-43.9170.8-64.4164.6-162.100111.1F62 K66 I68 I71 L121 R122 T123 D127 C128 E129 M177F62-M125 HydrophobicContact CE2-CE 3.88Å; F62-M125 HydrophobicContact CE2-CG 4.33Å; F62-M125 HydrophobicContact CE2-SD 3.81Å; F62-M125 HydrophobicContact CZ-CE 4.35Å; F62-M125 HydrophobicContact CZ-CG 3.86Å; F62-M125 HydrophobicContact CZ-SD 3.78Å; K66-M125 HydrophobicContact CB-SD 4.09Å; K66-M125 HydrophobicContact CD-CE 4.34Å; K66-M125 HydrophobicContact CD-SD 4.18Å; K66-M125 HydrophobicContact CG-CE 4.36Å; K66-M125 HydrophobicContact CG-SD 3.87Å; I68-M125 HydrophobicContact CD1-CB 4.16Å; I71-M125 HydrophobicContact CD1-CB 3.64Å; L121-M125 HydrophobicContact CB-CE 3.94Å; L121-M125 VanDerWaalsContact O-CG 3.25Å; L121-M125 WeakPolarHBondContact O-CG 3.34Å; L121-M125 PolarHBondContact O-N 2.97Å; R122-M125 PolarHBondContact O-N 3.34Å; T123-M125 VanDerWaalsContact C-N 3.34Å; T123-M125 PolarHBondContact O-N 3.01Å; M125-D127 VanDerWaalsContact C-N 3.32Å; M125-D127 PolarHBondContact O-N 3.16Å; M125-C128 WeakPolarHBondContact O-CB 3.44Å; M125-C128 PolarHBondContact O-N 2.9Å; M125-E129 PolarHBondContact O-N 2.69Å; M125-M177 HydrophobicContact CE-CG 3.82Å; M125-M177 HydrophobicContact CE-SD 4.49Å; M125-M177 HydrophobicContact CG-CE 3.63Å; M125-M177 HydrophobicContact CG-CG 4.28Å; M125-M177 HydrophobicContact CG-SD 3.73Å
126R98.6Very high97.5Very high42 Ų4237.6 Ų37.616%0.15819%0.19CC..Hα-helixtrans-58.7-44.1174.6-177.2177176.5-83-3.5111.7I71 I72 W74 R122 T123 C128 E129 L130I71-R126 HydrophobicContact CD1-CB 4.26Å; I71-R126 HydrophobicContact CG1-CB 4Å; I71-R126 VanDerWaalsContact O-CD 3.3Å; I71-R126 WeakPolarHBondContact O-CD 3.33Å; I71-R126 WeakPolarHBondContact O-CG 3.29Å; I72-R126 PolarHBondContact O-NE 3.19Å; I72-R126 VanDerWaalsContact O-NE 3.11Å; I72-R126 PolarHBondContact O-NH2 3.07Å; I72-R126 VanDerWaalsContact O-NH2 3.13Å; W74-R126 WeakPolarHBondContact O-CD 3.43Å; W74-R126 PolarHBondContact O-NE 2.69Å; R122-R126 WeakPolarHBondContact O-CB 3.06Å; R122-R126 PolarHBondContact O-N 3.35Å; T123-R126 VanDerWaalsContact O-CB 3.31Å; T123-R126 WeakPolarHBondContact O-CB 3.28Å; T123-R126 PolarHBondContact O-N 3.46Å; T123-R126 VanDerWaalsContact O-N 3.14Å; R126-C128 VanDerWaalsContact C-N 3.29Å; R126-C128 PolarHBondContact O-N 2.67Å; R126-E129 PolarHBondContact O-N 3.07Å; R126-L130 HydrophobicContact CG-CD1 4.3Å; R126-L130 WeakPolarHBondContact O-CG 3.27Å; R126-L130 PolarHBondContact O-N 3.3Å
127D98.2Very high97.7Very high19 Ų1940.9 Ų40.910%0.10220%0.201CC..Hα-helixtrans-61.2-38.9177.1-64.3-24.6000111.5W99 T123 K124 M125 L130 L131W99-D127 HydrophobicContact CH2-CB 3.59Å; W99-D127 WeakPolarHBondContact CH2-OD2 3.35Å; W99-D127 HydrophobicContact CZ2-CB 4.17Å; W99-D127 HydrophobicContact CZ3-CB 3.9Å; T123-D127 VanDerWaalsContact O-CG 3.23Å; T123-D127 PolarHBondContact O-N 3.12Å; K124-D127 PolarHBondContact O-N 3.26Å; M125-D127 VanDerWaalsContact C-N 3.32Å; M125-D127 PolarHBondContact O-N 3.16Å; D127-L130 PolarHBondContact O-N 2.94Å; D127-L131 WeakPolarHBondContact O-CB 3.46Å; D127-L131 VanDerWaalsContact O-CG 3.3Å; D127-L131 WeakPolarHBondContact O-CG 3.34Å; D127-L131 PolarHBondContact O-N 2.89Å
128C98.3Very high97.9Very high11 Ų1137.5 Ų37.57%0.07419%0.187CC..Hα-helixtrans-63-46.3174.1-64.20000112K124 M125 R126 L130 L131 L132 Y182K124-C128 PolarHBondContact O-N 2.99Å; K124-C128 VanDerWaalsContact O-N 3.07Å; K124-C128 PolarHBondContact O-SG 3.44Å; M125-C128 WeakPolarHBondContact O-CB 3.44Å; M125-C128 PolarHBondContact O-N 2.9Å; R126-C128 VanDerWaalsContact C-N 3.29Å; R126-C128 PolarHBondContact O-N 2.67Å; C128-L130 PolarHBondContact O-N 3.15Å; C128-L131 PolarHBondContact O-N 2.87Å; C128-L132 WeakPolarHBondContact O-CG 3.48Å; C128-L132 PolarHBondContact O-N 3.12Å; C128-Y182 HydrophobicContact CB-CD1 3.96Å; C128-Y182 HydrophobicContact CB-CD2 4.13Å; C128-Y182 HydrophobicContact CB-CE1 3.55Å; C128-Y182 HydrophobicContact CB-CE2 3.71Å; C128-Y182 HydrophobicContact CB-CG 4.24Å; C128-Y182 VanDerWaalsContact CB-CZ 3.41Å
129E98.4Very high98.1Very high20 Ų2032.4 Ų32.49%0.09317%0.165CC..Hα-helixtrans-64.6-38.5176.8-65.6-56.6127.700112.3R63 I68 I71 I72 M125 R126 L131 L132 Q133 Y182R63-E129 IonicContact NH1-OE2 2.82Å; I68-E129 HydrophobicContact CG2-CG 3.68Å; I68-E129 WeakPolarHBondContact CG2-OE1 3.37Å; I71-E129 HydrophobicContact CG2-CB 4.02Å; I71-E129 HydrophobicContact CG2-CG 3.58Å; I72-E129 HydrophobicContact CD1-CB 4.2Å; I72-E129 HydrophobicContact CG1-CB 4.02Å; M125-E129 PolarHBondContact O-N 2.69Å; R126-E129 PolarHBondContact O-N 3.07Å; E129-L131 VanDerWaalsContact C-N 3.31Å; E129-L131 PolarHBondContact O-N 2.79Å; E129-L132 PolarHBondContact O-N 3.08Å; E129-Q133 WeakPolarHBondContact O-CB 3.41Å; E129-Q133 PolarHBondContact O-N 3.37Å; E129-Y182 WeakPolarHBondContact OE1-CE1 3.23Å; E129-Y182 VanDerWaalsContact OE1-CZ 3.31Å; E129-Y182 PolarHBondContact OE1-OH 3.49Å
130L98.3Very high98.2Very high48 Ų4835.9 Ų35.925%0.25119%0.189SC..Hα-helixtrans-61.4-40.4173.7-77173.2000111.9I72 R126 D127 C128 Q133 E134I72-L130 HydrophobicContact CG1-CD2 4.37Å; I72-L130 HydrophobicContact CG2-CD2 3.93Å; R126-L130 HydrophobicContact CG-CD1 4.3Å; R126-L130 WeakPolarHBondContact O-CG 3.27Å; R126-L130 PolarHBondContact O-N 3.3Å; D127-L130 PolarHBondContact O-N 2.94Å; C128-L130 PolarHBondContact O-N 3.15Å; L130-Q133 PolarHBondContact O-N 3.01Å; L130-E134 WeakPolarHBondContact O-CB 3.47Å; L130-E134 PolarHBondContact O-N 3.28Å
131L98.3Very high98.2Very high8 Ų842.1 Ų42.14%0.04222%0.215CC..Hα-helixtrans-67-40.1175.4-75.3166.9000112R88 P97 W99 D127 C128 E129 E134 C135 I149R88-L131 HydrophobicContact CB-CD2 4.37Å; R88-L131 HydrophobicContact CG-CD2 3.87Å; P97-L131 HydrophobicContact CB-CD2 3.98Å; W99-L131 HydrophobicContact CB-CD1 4.17Å; W99-L131 HydrophobicContact CB-CD2 4.38Å; W99-L131 HydrophobicContact CD2-CD1 4.16Å; W99-L131 HydrophobicContact CE3-CD1 3.86Å; W99-L131 HydrophobicContact CE3-CD2 4.21Å; W99-L131 HydrophobicContact CE3-CG 4.19Å; W99-L131 HydrophobicContact CG-CD1 4.29Å; D127-L131 WeakPolarHBondContact O-CB 3.46Å; D127-L131 VanDerWaalsContact O-CG 3.3Å; D127-L131 WeakPolarHBondContact O-CG 3.34Å; D127-L131 PolarHBondContact O-N 2.89Å; C128-L131 PolarHBondContact O-N 2.87Å; E129-L131 VanDerWaalsContact C-N 3.31Å; E129-L131 PolarHBondContact O-N 2.79Å; L131-E134 WeakPolarHBondContact O-CB 3.47Å; L131-E134 PolarHBondContact O-N 3.37Å; L131-C135 PolarHBondContact O-N 2.59Å; L131-C135 PolarHBondContact O-SG 3.26Å; L131-C135 VanDerWaalsContact O-SG 3.38Å; L131-I149 HydrophobicContact CB-CG2 4.15Å; L131-I149 HydrophobicContact CD1-CD1 3.88Å; L131-I149 HydrophobicContact CD2-CG2 4.34Å
132L97.9Very high98.3Very high43 Ų4344.7 Ų44.723%0.22523%0.228CC..Hα-helixtrans-66.2-39.6174.5-70.2-175.1000112.3C128 E129 E134 C135 A136 Y182 T185C128-L132 WeakPolarHBondContact O-CG 3.48Å; C128-L132 PolarHBondContact O-N 3.12Å; E129-L132 PolarHBondContact O-N 3.08Å; L132-E134 VanDerWaalsContact C-N 3.29Å; L132-E134 PolarHBondContact O-N 3.19Å; L132-C135 WeakPolarHBondContact O-CB 3.4Å; L132-C135 PolarHBondContact O-N 2.76Å; L132-A136 PolarHBondContact O-N 3.49Å; L132-Y182 HydrophobicContact CD1-CD1 3.82Å; L132-Y182 HydrophobicContact CD1-CE1 3.73Å; L132-Y182 HydrophobicContact CG-CD1 4.43Å; L132-T185 HydrophobicContact CD2-CG2 3.8Å
133Q98Very high98.2Very high79 Ų7945 Ų4537%0.36925%0.253SS..Hα-helixtrans-61.1-42.2173-173.6-177.623.600110.6I72 E129 L130 A136 H137I72-Q133 HydrophobicContact CD1-CB 4.48Å; E129-Q133 WeakPolarHBondContact O-CB 3.41Å; E129-Q133 PolarHBondContact O-N 3.37Å; L130-Q133 PolarHBondContact O-N 3.01Å; Q133-A136 WeakPolarHBondContact O-CB 3.42Å; Q133-A136 PolarHBondContact O-N 3.05Å; Q133-A136 VanDerWaalsContact O-N 3.15Å; Q133-H137 PolarHBondContact O-N 3.15Å
134E98.3Very high98.2Very high21 Ų2149.4 Ų49.410%0.09827%0.271CS..Hα-helixtrans-65.2-39176.3-170.863.5-127.900112.2R88 Y91 P97 L130 L131 L132 A136 H137 Q138R88-E134 IonicContact CZ-OE2 2.92Å; R88-E134 IonicContact NE-OE2 3.57Å; R88-E134 IonicContact NH1-OE2 2.63Å; R88-E134 PolarHBondContact NH1-OE2 2.88Å; R88-E134 IonicContact NH2-OE2 3.54Å; R88-E134 PolarHBondContact NH2-OE2 2.98Å; Y91-E134 HydrophobicContact CE1-CG 3.67Å; Y91-E134 VanDerWaalsContact CE1-OE1 3.28Å; Y91-E134 WeakPolarHBondContact CE1-OE1 3.34Å; Y91-E134 VanDerWaalsContact CZ-OE1 3.27Å; Y91-E134 PolarHBondContact OH-OE1 3.24Å; P97-E134 HydrophobicContact CB-CB 4.46Å; P97-E134 HydrophobicContact CB-CG 4.04Å; P97-E134 HydrophobicContact CG-CB 3.98Å; P97-E134 HydrophobicContact CG-CG 3.66Å; L130-E134 WeakPolarHBondContact O-CB 3.47Å; L130-E134 PolarHBondContact O-N 3.28Å; L131-E134 WeakPolarHBondContact O-CB 3.47Å; L131-E134 PolarHBondContact O-N 3.37Å; L132-E134 VanDerWaalsContact C-N 3.29Å; L132-E134 PolarHBondContact O-N 3.19Å; E134-A136 VanDerWaalsContact C-N 3.29Å; E134-A136 PolarHBondContact O-N 3.33Å; E134-H137 PolarHBondContact O-N 3.4Å; E134-Q138 WeakPolarHBondContact O-CB 3.44Å; E134-Q138 WeakPolarHBondContact O-CG 3.4Å; E134-Q138 PolarHBondContact O-N 2.92Å
135C98.6Very high98.2Very high3 Ų351.6 Ų51.62%0.0228%0.281CS..Hα-helixtrans-57.9-41.2170.4-77.30000111.9L131 L132 Q138 T139 I146L131-C135 PolarHBondContact O-N 2.59Å; L131-C135 PolarHBondContact O-SG 3.26Å; L131-C135 VanDerWaalsContact O-SG 3.38Å; L132-C135 WeakPolarHBondContact O-CB 3.4Å; L132-C135 PolarHBondContact O-N 2.76Å; C135-Q138 PolarHBondContact O-N 2.8Å; C135-T139 WeakPolarHBondContact O-CB 3.18Å; C135-T139 PolarHBondContact O-N 2.96Å; C135-T139 PolarHBondContact O-OG1 2.99Å; C135-I146 HydrophobicContact CB-CG2 4.15Å; C135-I146 WeakPolarHBondContact CB-O 3.31Å
136A98.1Very high98.2Very high53 Ų5351.6 Ų51.644%0.43828%0.281SS..Hα-helixtrans-65.2-45175.300000111.9L132 Q133 E134 Q138 T139 T140L132-A136 PolarHBondContact O-N 3.49Å; Q133-A136 WeakPolarHBondContact O-CB 3.42Å; Q133-A136 PolarHBondContact O-N 3.05Å; Q133-A136 VanDerWaalsContact O-N 3.15Å; E134-A136 VanDerWaalsContact C-N 3.29Å; E134-A136 PolarHBondContact O-N 3.33Å; A136-Q138 PolarHBondContact O-N 2.64Å; A136-T139 WeakPolarHBondContact O-CB 3.32Å; A136-T139 PolarHBondContact O-N 3.23Å; A136-T140 PolarHBondContact O-N 2.97Å; A136-T140 VanDerWaalsContact O-N 3.09Å; A136-T140 PolarHBondContact O-OG1 2.8Å
137H98.4Very high98.1Very high96 Ų9650.8 Ų50.844%0.44428%0.279SS..Hα-helixtrans-59.6-45.2175.1-65.9165.6000112.1Q133 E134 T139 T140 K141Q133-H137 PolarHBondContact O-N 3.15Å; E134-H137 PolarHBondContact O-N 3.4Å; H137-T139 VanDerWaalsContact C-N 3.3Å; H137-T139 PolarHBondContact O-N 3.01Å; H137-T140 PolarHBondContact O-N 3.11Å; H137-K141 WeakPolarHBondContact O-CB 3.25Å; H137-K141 PolarHBondContact O-N 2.87Å
138Q98.4Very high98.2Very high8 Ų851 Ų514%0.03728%0.281CS..Hα-helixtrans-65.7-33.9177.1-74.8-73.9103.300112.1Y91 G95 E134 C135 A136 K141 L142 I146Y91-Q138 HydrophobicContact CD1-CG 3.6Å; Y91-Q138 VanDerWaalsContact CD1-NE2 3.28Å; Y91-Q138 HydrophobicContact CE1-CG 3.31Å; G95-Q138 PolarHBondContact O-NE2 2.92Å; E134-Q138 WeakPolarHBondContact O-CB 3.44Å; E134-Q138 WeakPolarHBondContact O-CG 3.4Å; E134-Q138 PolarHBondContact O-N 2.92Å; C135-Q138 PolarHBondContact O-N 2.8Å; A136-Q138 PolarHBondContact O-N 2.64Å; Q138-K141 PolarHBondContact O-N 3.19Å; Q138-L142 VanDerWaalsContact O-CB 3.32Å; Q138-L142 WeakPolarHBondContact O-CB 3.31Å; Q138-L142 WeakPolarHBondContact O-CG 3.22Å; Q138-L142 PolarHBondContact O-N 3.33Å; Q138-I146 HydrophobicContact CB-CB 4.16Å; Q138-I146 HydrophobicContact CB-CG1 3.95Å; Q138-I146 HydrophobicContact CB-CG2 4.25Å
139T98.4Very high98.2Very high32 Ų3250.6 Ų50.620%0.19628%0.278CS..Hα-helixtrans-59.6-49.9173.4-64.10000111.2C135 A136 H137 G143 K144 K145 I146C135-T139 WeakPolarHBondContact O-CB 3.18Å; C135-T139 PolarHBondContact O-N 2.96Å; C135-T139 PolarHBondContact O-OG1 2.99Å; A136-T139 WeakPolarHBondContact O-CB 3.32Å; A136-T139 PolarHBondContact O-N 3.23Å; H137-T139 VanDerWaalsContact C-N 3.3Å; H137-T139 PolarHBondContact O-N 3.01Å; T139-G143 PolarHBondContact O-N 3.4Å; T139-K144 VanDerWaalsContact CA-O 3.27Å; T139-K144 WeakPolarHBondContact CA-O 3.4Å; T139-K145 HydrophobicContact CG2-CD 4.23Å; T139-I146 PolarHBondContact OG1-N 3.3Å; T139-I146 PolarHBondContact OG1-O 2.84Å; T139-I146 VanDerWaalsContact OG1-O 3.13Å
140T98.1Very high98.2Very high123 Ų12349.8 Ų49.876%0.75527%0.274SS*.Hα-helixtrans-62.7-45.4177.5-57.20000111.5A136 H137 L142A136-T140 PolarHBondContact O-N 2.97Å; A136-T140 VanDerWaalsContact O-N 3.09Å; A136-T140 PolarHBondContact O-OG1 2.8Å; H137-T140 PolarHBondContact O-N 3.11Å; T140-L142 PolarHBondContact O-N 2.91Å
141K98.3Very high98.2Very high153 Ų15348.1 Ų48.167%0.66527%0.266SS*.Hα-helixtrans-64.3-40-177.2-177.1-177.5176.3-175.90113.2H137 Q138H137-K141 WeakPolarHBondContact O-CB 3.25Å; H137-K141 PolarHBondContact O-N 2.87Å; Q138-K141 PolarHBondContact O-N 3.19Å
142L98.1Very high98.2Very high76 Ų7647.8 Ų47.840%0.39826%0.264SS..Hα-helixtrans-96.3-8.7-173.3-60.5176.2000113.4Q138 T140 K144 I146Q138-L142 VanDerWaalsContact O-CB 3.32Å; Q138-L142 WeakPolarHBondContact O-CB 3.31Å; Q138-L142 WeakPolarHBondContact O-CG 3.22Å; Q138-L142 PolarHBondContact O-N 3.33Å; T140-L142 PolarHBondContact O-N 2.91Å; L142-K144 HydrophobicContact CB-CG 3.93Å; L142-K144 PolarHBondContact O-N 3.37Å; L142-I146 HydrophobicContact CD1-CD1 4.32Å; L142-I146 HydrophobicContact CD1-CG1 4.29Å
143G97.6Very high98.3Very high75 Ų7546.5 Ų46.577%0.77326%0.256SS*.THydrogen-bonded Turntrans6517.4-176.300000114.1T139T139-G143 PolarHBondContact O-N 3.4Å
144K96.9Very high98.3Very high97 Ų9743 Ų4342%0.42224%0.24SC..SBendtrans-137146.8178.268.8178.2-175.2173.20109.9D94 T139 L142 I146D94-K144 WeakPolarHBondContact O-CE 3.44Å; D94-K144 PolarHBondContact O-NZ 3.15Å; T139-K144 VanDerWaalsContact CA-O 3.27Å; T139-K144 WeakPolarHBondContact CA-O 3.4Å; L142-K144 HydrophobicContact CB-CG 3.93Å; L142-K144 PolarHBondContact O-N 3.37Å; K144-I146 HydrophobicContact CG-CD1 4.39Å; K144-I146 PolarHBondContact O-N 2.99Å
145K97.9Very high98.3Very high68 Ų6842.3 Ų42.330%0.29624%0.237SC..  trans-64.3123.7-178.7-170.679176.5-170.80111.3D34 Y36 T139 E147D34-K145 IonicContact OD1-NZ 3.74Å; D34-K145 IonicContact OD2-NZ 3.26Å; D34-K145 PolarHBondContact OD2-NZ 3.01Å; Y36-K145 VanDerWaalsContact CB-CE 3.49Å; Y36-K145 HydrophobicContact CD1-CB 4.16Å; Y36-K145 HydrophobicContact CD1-CD 3.83Å; Y36-K145 HydrophobicContact CD1-CG 3.52Å; Y36-K145 HydrophobicContact CD2-CD 3.88Å; Y36-K145 HydrophobicContact CD2-CG 4.47Å; Y36-K145 HydrophobicContact CE1-CB 3.69Å; Y36-K145 HydrophobicContact CE1-CD 4.03Å; Y36-K145 HydrophobicContact CE1-CG 3.6Å; Y36-K145 HydrophobicContact CE2-CD 4.1Å; Y36-K145 HydrophobicContact CG-CD 3.74Å; Y36-K145 VanDerWaalsContact CG-CE 3.5Å; Y36-K145 HydrophobicContact CG-CG 3.98Å; T139-K145 HydrophobicContact CG2-CD 4.23Å; K145-E147 HydrophobicContact CG-CB 4.4Å
146I98.6Very high98.3Very high9 Ų947.3 Ų47.35%0.04626%0.26CS..  trans-112.7117.4165.7-56.2-60.9000106.9D94 C135 Q138 T139 L142 K144D94-I146 WeakPolarHBondContact O-CD1 3.48Å; C135-I146 HydrophobicContact CB-CG2 4.15Å; C135-I146 WeakPolarHBondContact CB-O 3.31Å; Q138-I146 HydrophobicContact CB-CB 4.16Å; Q138-I146 HydrophobicContact CB-CG1 3.95Å; Q138-I146 HydrophobicContact CB-CG2 4.25Å; T139-I146 PolarHBondContact OG1-N 3.3Å; T139-I146 PolarHBondContact OG1-O 2.84Å; T139-I146 VanDerWaalsContact OG1-O 3.13Å; L142-I146 HydrophobicContact CD1-CD1 4.32Å; L142-I146 HydrophobicContact CD1-CG1 4.29Å; K144-I146 HydrophobicContact CG-CD1 4.39Å; K144-I146 PolarHBondContact O-N 2.99Å
147E97.9Very high98.1Very high24 Ų2447.1 Ų47.111%0.11226%0.264CS..  trans-135.67.418067.5172.9-169.200112.9Y36 R43 K145Y36-E147 WeakPolarHBondContact CB-OE2 3.4Å; R43-E147 IonicContact CZ-OE1 3.49Å; R43-E147 IonicContact NH2-OE1 2.93Å; R43-E147 PolarHBondContact NH2-OE1 3.33Å; K145-E147 HydrophobicContact CG-CB 4.4Å
148T98.6Very high98.1Very high23 Ų2343.4 Ų43.414%0.14125%0.247CC..  trans-131.6158.1-176.664.50000112.2C96 T185C96-T148 VanDerWaalsContact CB-O 3.27Å; C96-T148 WeakPolarHBondContact CB-O 3.37Å; C96-T148 PolarHBondContact SG-O 2.86Å; C96-T148 PolarHBondContact SG-OG1 3.49Å; T148-T185 CarbonylContact C-O 3.58Å; T148-T185 WeakPolarHBondContact CA-O 3.23Å; T148-T185 VanDerWaalsContact CB-O 3.29Å; T148-T185 WeakPolarHBondContact CB-O 3.22Å
149I98.6Very high97.9Very high4 Ų444 Ų442%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-123.2147.4-176.264.6173.4000111.9L131 M151 T185 K187L131-I149 HydrophobicContact CB-CG2 4.15Å; L131-I149 HydrophobicContact CD1-CD1 3.88Å; L131-I149 HydrophobicContact CD2-CG2 4.34Å; I149-M151 HydrophobicContact CD1-CG 4.1Å; I149-M151 HydrophobicContact CD1-SD 4.32Å; I149-M151 HydrophobicContact CG1-CG 4.39Å; I149-T185 HydrophobicContact CG1-CG2 4.44Å; I149-T185 HydrophobicContact CG2-CG2 4.47Å; I149-T185 PolarHBondContact N-O 2.96Å; I149-K187 WeakPolarHBondContact O-CB 3.42Å; I149-K187 PolarHBondContact O-N 3.2Å
150T98.8Very high97.7Very high2 Ų245 Ų451%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-98132.3167.3-73.40000108.8D92 P97 V98 W99 R188 F190D92-T150 PolarHBondContact OD2-OG1 2.94Å; P97-T150 PolarHBondContact O-N 2.9Å; V98-T150 CarbonylContact C-O 3.47Å; V98-T150 VanDerWaalsContact CA-O 3.28Å; V98-T150 WeakPolarHBondContact CA-O 3.41Å; V98-T150 HydrophobicContact CG1-CG2 4.38Å; V98-T150 HydrophobicContact CG2-CG2 4.43Å; W99-T150 PolarHBondContact N-O 3.36Å; T150-R188 WeakPolarHBondContact CA-O 3.39Å; T150-F190 HydrophobicContact CG2-CD2 3.95Å; T150-F190 HydrophobicContact CG2-CE2 3.84Å
151M98.7Very high97.4Very high14 Ų1444.6 Ų44.67%0.06925%0.247CC..EExtended strand (participates in β ladder)trans-112.1138.9175.8-60.4-175.68800110.6W99 I149 Y153 L186 R188 L189 F190W99-M151 HydrophobicContact CB-CG 4.38Å; W99-M151 HydrophobicContact CG-CE 4.29Å; W99-M151 CarbonylContact O-C 3.49Å; W99-M151 WeakPolarHBondContact O-CA 3.24Å; I149-M151 HydrophobicContact CD1-CG 4.1Å; I149-M151 HydrophobicContact CD1-SD 4.32Å; I149-M151 HydrophobicContact CG1-CG 4.39Å; M151-Y153 HydrophobicContact CB-CD2 4.3Å; M151-Y153 HydrophobicContact CB-CE2 4.23Å; M151-Y153 HydrophobicContact CE-CE2 3.71Å; M151-Y153 HydrophobicContact SD-CE2 4.33Å; M151-L186 HydrophobicContact CB-CD1 4.37Å; M151-L186 HydrophobicContact CG-CD1 3.82Å; M151-L186 HydrophobicContact SD-CD1 3.86Å; M151-R188 PolarHBondContact N-O 3.24Å; M151-L189 HydrophobicContact CB-CB 4.32Å; M151-L189 HydrophobicContact CB-CD1 4.43Å; M151-L189 HydrophobicContact CB-CG 4.04Å; M151-L189 CarbonylContact O-C 3.58Å; M151-L189 WeakPolarHBondContact O-CA 3.47Å; M151-L189 HydrophobicContact SD-CD1 4.4Å; M151-F190 PolarHBondContact O-N 3.48Å
152I98.9Very high97.3Very high0 Ų038.4 Ų38.40%022%0.22CC..EExtended strand (participates in β ladder)trans-116.9116.4171.4-63.9173.3000107.9V98 W99 Y100 D101 F190 V192 L228 I232 L237 Y241V98-I152 HydrophobicContact CG1-CD1 3.82Å; V98-I152 HydrophobicContact CG1-CG1 4.14Å; W99-I152 PolarHBondContact O-N 3.46Å; Y100-I152 WeakPolarHBondContact CA-O 3.44Å; Y100-I152 HydrophobicContact CD1-CB 3.92Å; Y100-I152 HydrophobicContact CD1-CD1 4.33Å; Y100-I152 HydrophobicContact CD1-CG2 4.02Å; Y100-I152 HydrophobicContact CE1-CB 4.03Å; Y100-I152 HydrophobicContact CE1-CD1 3.56Å; Y100-I152 HydrophobicContact CE1-CG1 4.35Å; Y100-I152 HydrophobicContact CE1-CG2 4.12Å; D101-I152 PolarHBondContact N-O 3.43Å; I152-F190 HydrophobicContact CG1-CB 4.49Å; I152-F190 HydrophobicContact CG1-CD2 4.41Å; I152-V192 HydrophobicContact CG2-CG2 4.26Å; I152-L228 HydrophobicContact CD1-CD1 4.15Å; I152-L228 HydrophobicContact CD1-CD2 3.94Å; I152-L228 HydrophobicContact CG1-CD2 4.14Å; I152-I232 HydrophobicContact CD1-CD1 3.71Å; I152-L237 HydrophobicContact CD1-CD1 4.27Å; I152-Y241 HydrophobicContact CG2-CD1 4.45Å; I152-Y241 HydrophobicContact CG2-CE1 4.48Å
153Y98.5Very high97.2Very high16 Ų1634.9 Ų34.96%0.06320%0.202CC..EExtended strand (participates in β ladder)trans-101.4104.3176.5-91.2-114.9000108.6D101 I103 M151 C155 Y171 L189 F190 V191 V192D101-Y153 HydrophobicContact CB-CD1 4.37Å; D101-Y153 HydrophobicContact CB-CD2 4.35Å; D101-Y153 HydrophobicContact CB-CE1 4.05Å; D101-Y153 HydrophobicContact CB-CE2 4.02Å; D101-Y153 HydrophobicContact CB-CG 4.5Å; D101-Y153 WeakPolarHBondContact OD2-CE2 3.3Å; D101-Y153 PolarHBondContact OD2-OH 2.75Å; I103-Y153 HydrophobicContact CD1-CD1 4.28Å; I103-Y153 HydrophobicContact CD1-CE1 4.32Å; M151-Y153 HydrophobicContact CB-CD2 4.3Å; M151-Y153 HydrophobicContact CB-CE2 4.23Å; M151-Y153 HydrophobicContact CE-CE2 3.71Å; M151-Y153 HydrophobicContact SD-CE2 4.33Å; Y153-C155 PolarHBondContact O-N 2.81Å; Y153-Y171 WeakPolarHBondContact CE1-OH 3.02Å; Y153-Y171 PolarHBondContact OH-OH 3.4Å; Y153-L189 HydrophobicContact CD2-CD1 3.82Å; Y153-L189 HydrophobicContact CD2-CD2 3.94Å; Y153-L189 HydrophobicContact CD2-CG 3.8Å; Y153-L189 HydrophobicContact CE2-CD1 3.84Å; Y153-L189 HydrophobicContact CE2-CG 4.28Å; Y153-L189 HydrophobicContact CG-CD1 4.44Å; Y153-L189 HydrophobicContact CG-CD2 4.05Å; Y153-L189 HydrophobicContact CG-CG 4.41Å; Y153-F190 PolarHBondContact N-O 2.87Å; Y153-V191 WeakPolarHBondContact O-CA 3.39Å; Y153-V192 PolarHBondContact O-N 3.14Å
154D98.7Very high97Very high7 Ų732.1 Ų32.14%0.03717%0.168CC..EExtended strand (participates in β ladder)trans-82103.3171.5-171-14.2000109.4D101 I102 I103 E156 V192 K193 Y241D101-D154 PolarHBondContact O-N 3.04Å; I102-D154 HydrophobicContact CD1-CB 4.06Å; I102-D154 HydrophobicContact CG2-CB 4.39Å; I103-D154 WeakPolarHBondContact CB-O 3.46Å; I103-D154 WeakPolarHBondContact CG1-O 3.25Å; I103-D154 PolarHBondContact N-O 3.29Å; D154-E156 VanDerWaalsContact OD1-CB 3.23Å; D154-E156 WeakPolarHBondContact OD1-CB 3.41Å; D154-E156 PolarHBondContact OD1-N 3.18Å; D154-V192 HydrophobicContact CB-CG2 4.12Å; D154-K193 VanDerWaalsContact CG-CE 3.41Å; D154-K193 VanDerWaalsContact CG-NZ 3.33Å; D154-K193 WeakPolarHBondContact OD1-CE 3.45Å; D154-K193 IonicContact OD1-NZ 2.71Å; D154-K193 PolarHBondContact OD1-NZ 3.11Å; D154-K193 VanDerWaalsContact OD2-CE 3.24Å; D154-K193 WeakPolarHBondContact OD2-CE 3.25Å; D154-K193 IonicContact OD2-NZ 3.28Å; D154-K193 PolarHBondContact OD2-NZ 2.9Å; D154-Y241 HydrophobicContact CB-CE1 4.12Å; D154-Y241 PolarHBondContact OD2-OH 2.74Å
155C98.3Very high96.8Very high6 Ų630.2 Ų30.24%0.04116%0.16CC..  trans-959.3178.8-72.10000113.2Y153 G157 L158 V191 V192 K193 A194 P195Y153-C155 PolarHBondContact O-N 2.81Å; C155-G157 PolarHBondContact O-N 3.39Å; C155-L158 HydrophobicContact CB-CB 4.25Å; C155-L158 HydrophobicContact CB-CD2 4.45Å; C155-L158 WeakPolarHBondContact O-CB 3.17Å; C155-L158 PolarHBondContact O-N 3.22Å; C155-V191 HydrophobicContact CB-CG1 4.17Å; C155-V192 PolarHBondContact N-O 3.45Å; C155-K193 CarbonylContact C-O 3.55Å; C155-A194 HydrophobicContact CB-CB 4.45Å; C155-P195 VanDerWaalsContact O-CD 3.25Å; C155-P195 WeakPolarHBondContact O-CD 3.49Å
156E97.8Very high96.5Very high107 Ų10727.3 Ų27.350%0.515%0.148SC..THydrogen-bonded Turntrans-57.2131.5171-172.9172.1-159.800109.7G104 D154 L158 K193G104-E156 WeakPolarHBondContact CA-O 3.12Å; G104-E156 PolarHBondContact N-O 3.4Å; D154-E156 VanDerWaalsContact OD1-CB 3.23Å; D154-E156 WeakPolarHBondContact OD1-CB 3.41Å; D154-E156 PolarHBondContact OD1-N 3.18Å; E156-L158 VanDerWaalsContact C-N 3.25Å; E156-L158 PolarHBondContact O-N 2.72Å; E156-K193 HydrophobicContact CB-CB 3.8Å; E156-K193 HydrophobicContact CB-CD 3.99Å; E156-K193 HydrophobicContact CG-CD 4.43Å; E156-K193 PolarHBondContact N-O 2.94Å; E156-K193 WeakPolarHBondContact OE2-CD 3.3Å; E156-K193 WeakPolarHBondContact OE2-CE 3.13Å; E156-K193 IonicContact OE2-NZ 2.65Å; E156-K193 PolarHBondContact OE2-NZ 2.61Å
157G95.4Very high96.3Very high50 Ų5027.6 Ų27.652%0.51515%0.152SC..THydrogen-bonded Turntrans76.62.4-175.700000115.1C155 G159 H162C155-G157 PolarHBondContact O-N 3.39Å; G157-G159 PolarHBondContact O-N 2.92Å; G157-G159 VanDerWaalsContact O-N 3.12Å; G157-H162 PolarHBondContact O-CE1 3.32Å; G157-H162 VanDerWaalsContact O-CE1 3.28Å
158L97.1Very high96.1Very high17 Ų1727.3 Ų27.39%0.08915%0.151CC..  trans-54.9121.6167.9171.570.2000109.2I103 C155 E156 H162 P195 F198 A201I103-L158 HydrophobicContact CG2-CB 4.36Å; I103-L158 HydrophobicContact CG2-CD1 3.88Å; C155-L158 HydrophobicContact CB-CB 4.25Å; C155-L158 HydrophobicContact CB-CD2 4.45Å; C155-L158 WeakPolarHBondContact O-CB 3.17Å; C155-L158 PolarHBondContact O-N 3.22Å; E156-L158 VanDerWaalsContact C-N 3.25Å; E156-L158 PolarHBondContact O-N 2.72Å; L158-H162 HydrophobicContact CD1-CB 3.91Å; L158-P195 HydrophobicContact CB-CG 3.71Å; L158-P195 HydrophobicContact CD2-CG 4.3Å; L158-P195 HydrophobicContact CG-CG 4.25Å; L158-P195 WeakPolarHBondContact O-CG 3.46Å; L158-F198 HydrophobicContact CD2-CB 4.18Å; L158-F198 HydrophobicContact CD2-CD2 4.2Å; L158-A201 HydrophobicContact CD1-CB 4.33Å; L158-A201 HydrophobicContact CD2-CB 3.91Å
159G94.9Very high95.8Very high20 Ų2030.6 Ų30.621%0.20617%0.165CC..  trans-150.3176.7-169.800000112.5G157 K161 H162 L197G157-G159 PolarHBondContact O-N 2.92Å; G157-G159 VanDerWaalsContact O-N 3.12Å; G159-K161 PolarHBondContact O-N 3.44Å; G159-K161 VanDerWaalsContact O-N 3.1Å; G159-H162 PolarHBondContact N-CE1 2.84Å; G159-H162 PolarHBondContact N-ND1 3.28Å; G159-H162 WeakPolarHBondContact O-CB 3.36Å; G159-H162 PolarHBondContact O-N 3.4Å; G159-H162 PolarHBondContact O-ND1 3.25Å; G159-L197 VanDerWaalsContact CA-CD2 3.45Å
160L93.1Very high95.7Very high54 Ų5431 Ų3128%0.28317%0.169SC..G310 helixtrans-52.2-34-175.8-74.7-174.3000114.3H162 L163 L197 V302 T352L160-H162 PolarHBondContact O-N 3.21Å; L160-H162 VanDerWaalsContact O-N 3.11Å; L160-L163 HydrophobicContact CD2-CD1 4.17Å; L160-L163 WeakPolarHBondContact O-CB 3.47Å; L160-L163 PolarHBondContact O-N 3.21Å; L160-L197 HydrophobicContact CD2-CD1 4.1Å; L160-L197 HydrophobicContact CD2-CD2 4.17Å; L160-V302 HydrophobicContact CD2-CG1 3.88Å; L160-V302 HydrophobicContact CD2-CG2 4.07Å; L160-T352 WeakPolarHBondContact CB-OG1 3.34Å
161K92.5Very high95.5Very high115 Ų11534 Ų3450%0.518%0.181SC..G310 helixtrans-55.7-27.9175.768.2175.8-175.7169.90114.2G104 G159 L163G104-K161 WeakPolarHBondContact O-CE 3.24Å; G104-K161 PolarHBondContact O-NZ 3.47Å; G159-K161 PolarHBondContact O-N 3.44Å; G159-K161 VanDerWaalsContact O-N 3.1Å; K161-L163 VanDerWaalsContact C-N 3.33Å
162H96.1Very high95.4Very high22 Ų2233.3 Ų33.310%0.10218%0.177CC..G310 helixtrans-84-9.9-179.6-47.390000112.8I103 G104 G157 L158 G159 L160 W164I103-H162 PolarHBondContact O-NE2 2.98Å; G104-H162 PolarHBondContact O-NE2 3.37Å; G157-H162 PolarHBondContact O-CE1 3.32Å; G157-H162 VanDerWaalsContact O-CE1 3.28Å; L158-H162 HydrophobicContact CD1-CB 3.91Å; G159-H162 PolarHBondContact N-CE1 2.84Å; G159-H162 PolarHBondContact N-ND1 3.28Å; G159-H162 WeakPolarHBondContact O-CB 3.36Å; G159-H162 PolarHBondContact O-N 3.4Å; G159-H162 PolarHBondContact O-ND1 3.25Å; L160-H162 PolarHBondContact O-N 3.21Å; L160-H162 VanDerWaalsContact O-N 3.11Å; H162-W164 VanDerWaalsContact C-N 3.29Å
163L95.6Very high95.3Very high3 Ų337 Ų372%0.01619%0.194CC..G310 helixtrans-904178.2-52.2-172000112.7L160 K161 K165 L197 V200 A201 L204 V302 R304 L384L160-L163 HydrophobicContact CD2-CD1 4.17Å; L160-L163 WeakPolarHBondContact O-CB 3.47Å; L160-L163 PolarHBondContact O-N 3.21Å; K161-L163 VanDerWaalsContact C-N 3.33Å; L163-K165 PolarHBondContact O-N 3.39Å; L163-L197 HydrophobicContact CD1-CD1 3.99Å; L163-L197 HydrophobicContact CD1-CD2 4.09Å; L163-L197 HydrophobicContact CD1-CG 4.26Å; L163-L197 HydrophobicContact CG-CD2 4.39Å; L163-V200 HydrophobicContact CD1-CG1 4.16Å; L163-A201 HydrophobicContact CD2-CB 3.94Å; L163-L204 HydrophobicContact CD2-CD1 3.81Å; L163-V302 HydrophobicContact CD1-CB 4.49Å; L163-V302 HydrophobicContact CD1-CG1 4.17Å; L163-V302 HydrophobicContact CD1-CG2 4.28Å; L163-R304 VanDerWaalsContact O-CD 3.27Å; L163-R304 WeakPolarHBondContact O-CD 3.42Å; L163-R304 PolarHBondContact O-NH1 2.94Å; L163-L384 HydrophobicContact CB-CD1 4.44Å; L163-L384 HydrophobicContact CD1-CD1 4.27Å
164W94.2Very high95.2Very high17 Ų1736.8 Ų36.86%0.06419%0.194CC..  trans-55.9124.4173-177.857.1000109.9K109 L112 F113 H162 P166 A167 V168 V274 D350K109-W164 HydrophobicContact CB-CE3 4.15Å; K109-W164 HydrophobicContact CB-CZ3 4.09Å; K109-W164 HydrophobicContact CD-CZ2 4.49Å; K109-W164 HydrophobicContact CG-CE3 4.27Å; K109-W164 HydrophobicContact CG-CH2 4Å; K109-W164 HydrophobicContact CG-CZ2 4.27Å; K109-W164 HydrophobicContact CG-CZ3 3.98Å; L112-W164 HydrophobicContact CB-CH2 4.27Å; L112-W164 HydrophobicContact CB-CZ3 3.91Å; L112-W164 HydrophobicContact CD1-CE3 4.16Å; L112-W164 HydrophobicContact CD1-CH2 4.31Å; L112-W164 HydrophobicContact CD1-CZ3 3.5Å; L112-W164 VanDerWaalsContact CD1-CZ3 3.5Å; L112-W164 HydrophobicContact CG-CZ3 4.32Å; F113-W164 HydrophobicContact CD1-CH2 4.32Å; F113-W164 AromaticContact CE1-CH2 3.77Å; F113-W164 HydrophobicContact CE1-CH2 3.77Å; F113-W164 HydrophobicContact CE1-CZ2 4.13Å; H162-W164 VanDerWaalsContact C-N 3.29Å; W164-P166 HydrophobicContact CD2-CB 4.25Å; W164-P166 HydrophobicContact CD2-CG 4.05Å; W164-P166 VanDerWaalsContact CE2-CD 3.49Å; W164-P166 HydrophobicContact CE3-CB 4.08Å; W164-P166 HydrophobicContact CE3-CG 4.37Å; W164-P166 HydrophobicContact CH2-CB 3.79Å; W164-P166 HydrophobicContact CH2-CG 3.89Å; W164-P166 HydrophobicContact CZ2-CB 3.98Å; W164-P166 HydrophobicContact CZ2-CG 3.53Å; W164-P166 HydrophobicContact CZ3-CB 3.85Å; W164-P166 HydrophobicContact CZ3-CG 4.3Å; W164-A167 HydrophobicContact CE3-CB 4.01Å; W164-A167 WeakPolarHBondContact O-CB 3.31Å; W164-A167 PolarHBondContact O-N 3.47Å; W164-V168 PolarHBondContact O-N 3.23Å; W164-V168 VanDerWaalsContact O-N 3.09Å; W164-V274 HydrophobicContact CH2-CB 4.5Å; W164-V274 HydrophobicContact CH2-CG2 3.92Å; W164-V274 HydrophobicContact CZ2-CG2 4.49Å; W164-D350 VanDerWaalsContact CD1-OD2 3.24Å; W164-D350 PolarHBondContact NE1-OD1 3.27Å
165K91.9Very high95.1Very high56 Ų5637.1 Ų37.124%0.24320%0.195CC..Hα-helixtrans-54.7-47.1-165.5-179.3168.8-176.5158.10113.8L163 A167 V168 E169 E382L163-K165 PolarHBondContact O-N 3.39Å; K165-A167 VanDerWaalsContact C-N 3.28Å; K165-A167 PolarHBondContact O-N 2.88Å; K165-V168 PolarHBondContact O-N 3.45Å; K165-E169 WeakPolarHBondContact CE-OE1 3.28Å; K165-E169 HydrophobicContact CG-CG 4.3Å; K165-E169 WeakPolarHBondContact CG-OE1 3.47Å; K165-E169 WeakPolarHBondContact O-CG 3.47Å; K165-E169 PolarHBondContact O-N 3.26Å; K165-E382 IonicContact NZ-OE1 2.68Å; K165-E382 PolarHBondContact NZ-OE1 2.96Å; K165-E382 IonicContact NZ-OE2 2.75Å
166P92.1Very high95Very high8 Ų838.5 Ų38.55%0.05221%0.205CC..Hα-helixtrans-59.3-34.5176.2-28.738.7000114.5L112 W164 A170 V274 Q276L112-P166 HydrophobicContact CD1-CB 4Å; W164-P166 HydrophobicContact CD2-CB 4.25Å; W164-P166 HydrophobicContact CD2-CG 4.05Å; W164-P166 VanDerWaalsContact CE2-CD 3.49Å; W164-P166 HydrophobicContact CE3-CB 4.08Å; W164-P166 HydrophobicContact CE3-CG 4.37Å; W164-P166 HydrophobicContact CH2-CB 3.79Å; W164-P166 HydrophobicContact CH2-CG 3.89Å; W164-P166 HydrophobicContact CZ2-CB 3.98Å; W164-P166 HydrophobicContact CZ2-CG 3.53Å; W164-P166 HydrophobicContact CZ3-CB 3.85Å; W164-P166 HydrophobicContact CZ3-CG 4.3Å; P166-A170 VanDerWaalsContact O-CB 3.31Å; P166-A170 WeakPolarHBondContact O-CB 3.06Å; P166-A170 PolarHBondContact O-N 3.49Å; P166-V274 HydrophobicContact CB-CG1 4.46Å; P166-Q276 HydrophobicContact CG-CG 4.45Å
167A94.3Very high95Very high14 Ų1434 Ų3412%0.11619%0.185CC..Hα-helixtrans-69.6-44.5176.100000111.4A108 L112 W164 K165 E169 A170 Y171A108-A167 HydrophobicContact CB-CB 3.68Å; L112-A167 HydrophobicContact CD1-CB 4.21Å; W164-A167 HydrophobicContact CE3-CB 4.01Å; W164-A167 WeakPolarHBondContact O-CB 3.31Å; W164-A167 PolarHBondContact O-N 3.47Å; K165-A167 VanDerWaalsContact C-N 3.28Å; K165-A167 PolarHBondContact O-N 2.88Å; A167-E169 VanDerWaalsContact C-N 3.34Å; A167-E169 PolarHBondContact O-N 3.22Å; A167-A170 PolarHBondContact O-N 3.21Å; A167-Y171 WeakPolarHBondContact O-CB 3.17Å; A167-Y171 PolarHBondContact O-N 3.15Å
168V94.8Very high95.1Very high18 Ų1832.6 Ų32.611%0.10916%0.164CC..Hα-helixtrans-61.5-42.8176.4176.40000111W164 K165 Y171 G172 L204W164-V168 PolarHBondContact O-N 3.23Å; W164-V168 VanDerWaalsContact O-N 3.09Å; K165-V168 PolarHBondContact O-N 3.45Å; V168-Y171 PolarHBondContact O-N 2.96Å; V168-G172 PolarHBondContact O-N 3.06Å; V168-L204 HydrophobicContact CG1-CB 3.94Å; V168-L204 HydrophobicContact CG1-CD1 4.28Å; V168-L204 HydrophobicContact CG2-CD1 4.19Å
169E92.8Very high95Very high92 Ų9233.2 Ų33.243%0.4317%0.166SC..Hα-helixtrans-64.2-47.2176.6-73.1172.3175.300111.9K165 A167 Y171 G172 E173K165-E169 WeakPolarHBondContact CE-OE1 3.28Å; K165-E169 HydrophobicContact CG-CG 4.3Å; K165-E169 WeakPolarHBondContact CG-OE1 3.47Å; K165-E169 WeakPolarHBondContact O-CG 3.47Å; K165-E169 PolarHBondContact O-N 3.26Å; A167-E169 VanDerWaalsContact C-N 3.34Å; A167-E169 PolarHBondContact O-N 3.22Å; E169-Y171 VanDerWaalsContact C-N 3.27Å; E169-Y171 PolarHBondContact O-N 3.42Å; E169-G172 PolarHBondContact O-N 3.47Å; E169-E173 PolarHBondContact O-N 2.92Å
170A94.9Very high95.1Very high12 Ų1235.9 Ų35.910%0.09917%0.174CC..Hα-helixtrans-59.7-39.9176.800000112.1L112 K117 P166 A167 F174L112-A170 HydrophobicContact CD2-CB 4.4Å; K117-A170 HydrophobicContact CD-CB 4.02Å; K117-A170 HydrophobicContact CG-CB 4Å; P166-A170 VanDerWaalsContact O-CB 3.31Å; P166-A170 WeakPolarHBondContact O-CB 3.06Å; P166-A170 PolarHBondContact O-N 3.49Å; A167-A170 PolarHBondContact O-N 3.21Å; A170-F174 PolarHBondContact O-N 3.44Å; A170-F174 VanDerWaalsContact O-N 3.14Å
171Y96.1Very high95.4Very high66 Ų6633.5 Ų33.526%0.25916%0.161SC..Hα-helixtrans-71.5-38.3176.8-169.3-105.4000112.5Y153 A167 V168 E169 E173 F174 L175 I205Y153-Y171 WeakPolarHBondContact CE1-OH 3.02Å; Y153-Y171 PolarHBondContact OH-OH 3.4Å; A167-Y171 WeakPolarHBondContact O-CB 3.17Å; A167-Y171 PolarHBondContact O-N 3.15Å; V168-Y171 PolarHBondContact O-N 2.96Å; E169-Y171 VanDerWaalsContact C-N 3.27Å; E169-Y171 PolarHBondContact O-N 3.42Å; Y171-E173 VanDerWaalsContact C-N 3.33Å; Y171-E173 PolarHBondContact O-N 2.99Å; Y171-F174 AromaticContact CD2-CD1 3.88Å; Y171-F174 HydrophobicContact CD2-CD1 3.88Å; Y171-F174 AromaticContact CE2-CD1 3.63Å; Y171-F174 HydrophobicContact CE2-CD1 3.63Å; Y171-F174 AromaticContact CE2-CE1 3.83Å; Y171-F174 HydrophobicContact CE2-CE1 3.83Å; Y171-F174 WeakPolarHBondContact O-CB 3.49Å; Y171-F174 PolarHBondContact O-N 2.81Å; Y171-L175 HydrophobicContact CD1-CD1 3.93Å; Y171-L175 HydrophobicContact CD1-CG 4.27Å; Y171-L175 HydrophobicContact CE1-CD1 3.63Å; Y171-L175 HydrophobicContact CE1-CD2 4.21Å; Y171-L175 HydrophobicContact CE1-CG 3.96Å; Y171-L175 WeakPolarHBondContact O-CG 3.2Å; Y171-L175 PolarHBondContact O-N 3.3Å; Y171-I205 HydrophobicContact CD1-CB 4.47Å; Y171-I205 HydrophobicContact CD1-CG2 3.73Å; Y171-I205 HydrophobicContact CE1-CB 4.48Å; Y171-I205 HydrophobicContact CE1-CG2 4.11Å
172G96.4Very high95.6Very high0 Ų028.3 Ų28.30%014%0.139CC..Hα-helixtrans-61.4-38.8172.700000113V168 E169 L175 S176 F208V168-G172 PolarHBondContact O-N 3.06Å; E169-G172 PolarHBondContact O-N 3.47Å; G172-L175 PolarHBondContact O-N 3.34Å; G172-S176 WeakPolarHBondContact O-CB 3.27Å; G172-S176 PolarHBondContact O-N 3.44Å; G172-S176 PolarHBondContact O-OG 3.32Å; G172-F208 VanDerWaalsContact CA-CD2 3.47Å
173E96.4Very high95.7Very high76 Ų7627.5 Ų27.536%0.35514%0.136SC..Hα-helixtrans-64.7-39.2173-77.7177.1-148.400112.4K117 L121 E169 Y171 S176 M177K117-E173 WeakPolarHBondContact CD-OE2 3.45Å; K117-E173 WeakPolarHBondContact CE-OE2 3.36Å; K117-E173 IonicContact NZ-OE1 2.67Å; K117-E173 PolarHBondContact NZ-OE1 3.42Å; K117-E173 IonicContact NZ-OE2 3.14Å; K117-E173 PolarHBondContact NZ-OE2 3.46Å; L121-E173 HydrophobicContact CD1-CB 4.28Å; L121-E173 HydrophobicContact CD2-CB 4.09Å; E169-E173 PolarHBondContact O-N 2.92Å; Y171-E173 VanDerWaalsContact C-N 3.33Å; Y171-E173 PolarHBondContact O-N 2.99Å; E173-S176 PolarHBondContact O-N 3.11Å; E173-M177 VanDerWaalsContact O-CB 3.28Å; E173-M177 WeakPolarHBondContact O-CB 3.15Å; E173-M177 PolarHBondContact O-N 3.28Å
174F96.3Very high95.8Very high13 Ų1328.6 Ų28.66%0.05714%0.141CC..Hα-helixtrans-60-49.1172.3155-110.8000111.4L121 K124 A170 Y171 S176 M177 F178L121-F174 HydrophobicContact CD2-CB 3.8Å; K124-F174 HydrophobicContact CB-CD2 3.49Å; K124-F174 VanDerWaalsContact CB-CD2 3.49Å; K124-F174 HydrophobicContact CB-CE2 3.73Å; K124-F174 HydrophobicContact CB-CG 4.37Å; K124-F174 HydrophobicContact CD-CE2 4.35Å; K124-F174 HydrophobicContact CG-CD2 3.89Å; K124-F174 HydrophobicContact CG-CE2 4.15Å; K124-F174 HydrophobicContact CG-CG 4.34Å; A170-F174 PolarHBondContact O-N 3.44Å; A170-F174 VanDerWaalsContact O-N 3.14Å; Y171-F174 AromaticContact CD2-CD1 3.88Å; Y171-F174 HydrophobicContact CD2-CD1 3.88Å; Y171-F174 AromaticContact CE2-CD1 3.63Å; Y171-F174 HydrophobicContact CE2-CD1 3.63Å; Y171-F174 AromaticContact CE2-CE1 3.83Å; Y171-F174 HydrophobicContact CE2-CE1 3.83Å; Y171-F174 WeakPolarHBondContact O-CB 3.49Å; Y171-F174 PolarHBondContact O-N 2.81Å; F174-S176 VanDerWaalsContact C-N 3.34Å; F174-S176 PolarHBondContact O-N 2.62Å; F174-M177 HydrophobicContact CD2-CE 3.81Å; F174-M177 HydrophobicContact CE2-CE 4.22Å; F174-M177 WeakPolarHBondContact O-CB 3.47Å; F174-M177 PolarHBondContact O-N 2.93Å; F174-F178 HydrophobicContact CE2-CB 4.44Å; F174-F178 PolarHBondContact O-N 3.36Å
175L96.3Very high96Very high13 Ų1328 Ų287%0.06814%0.139CC..Hα-helixtrans-61.9-42.9179.7-69176.2000111.9Y171 G172 M177 F178 E179 I205 F208 L209Y171-L175 HydrophobicContact CD1-CD1 3.93Å; Y171-L175 HydrophobicContact CD1-CG 4.27Å; Y171-L175 HydrophobicContact CE1-CD1 3.63Å; Y171-L175 HydrophobicContact CE1-CD2 4.21Å; Y171-L175 HydrophobicContact CE1-CG 3.96Å; Y171-L175 WeakPolarHBondContact O-CG 3.2Å; Y171-L175 PolarHBondContact O-N 3.3Å; G172-L175 PolarHBondContact O-N 3.34Å; L175-M177 VanDerWaalsContact C-N 3.33Å; L175-M177 PolarHBondContact O-N 3.26Å; L175-F178 WeakPolarHBondContact O-CB 3.38Å; L175-F178 PolarHBondContact O-N 3.19Å; L175-F178 VanDerWaalsContact O-N 3.15Å; L175-E179 WeakPolarHBondContact O-CG 3.44Å; L175-E179 PolarHBondContact O-N 3.07Å; L175-I205 HydrophobicContact CD1-CB 3.71Å; L175-I205 HydrophobicContact CD1-CD1 4.2Å; L175-I205 HydrophobicContact CD1-CG1 4.36Å; L175-I205 HydrophobicContact CD1-CG2 4.38Å; L175-F208 HydrophobicContact CB-CB 3.82Å; L175-F208 HydrophobicContact CD1-CB 4.31Å; L175-L209 HydrophobicContact CB-CD2 4.32Å; L175-L209 HydrophobicContact CD1-CD2 3.81Å; L175-L209 HydrophobicContact CD1-CG 4.48Å; L175-L209 HydrophobicContact CD2-CD2 3.86Å; L175-L209 HydrophobicContact CG-CD2 4.22Å
176S96.7Very high96.3Very high35 Ų3525.6 Ų25.625%0.24513%0.128CC..Hα-helixtrans-61.3-44.9176.8-56.10000110.9G172 E173 F174 F178 E179 E180 F208G172-S176 WeakPolarHBondContact O-CB 3.27Å; G172-S176 PolarHBondContact O-N 3.44Å; G172-S176 PolarHBondContact O-OG 3.32Å; E173-S176 PolarHBondContact O-N 3.11Å; F174-S176 VanDerWaalsContact C-N 3.34Å; F174-S176 PolarHBondContact O-N 2.62Å; S176-F178 VanDerWaalsContact C-N 3.32Å; S176-F178 PolarHBondContact O-N 3.43Å; S176-E179 PolarHBondContact O-N 3.22Å; S176-E180 WeakPolarHBondContact O-CB 3.16Å; S176-E180 WeakPolarHBondContact O-CG 3.07Å; S176-E180 PolarHBondContact O-N 3.32Å; S176-F208 VanDerWaalsContact OG-CD1 3.22Å; S176-F208 WeakPolarHBondContact OG-CD1 3.41Å
177M97.5Very high96.6Very high14 Ų1427.4 Ų27.47%0.06914%0.136CC..Hα-helixtrans-59.3-43.3174.2179.9-75.7-62.200111.5F62 M125 E173 F174 L175 E180 N181 Y182F62-M177 HydrophobicContact CE2-CG 3.76Å; F62-M177 HydrophobicContact CE2-SD 4.22Å; F62-M177 HydrophobicContact CZ-CG 4.09Å; F62-M177 HydrophobicContact CZ-SD 3.92Å; M125-M177 HydrophobicContact CE-CG 3.82Å; M125-M177 HydrophobicContact CE-SD 4.49Å; M125-M177 HydrophobicContact CG-CE 3.63Å; M125-M177 HydrophobicContact CG-CG 4.28Å; M125-M177 HydrophobicContact CG-SD 3.73Å; E173-M177 VanDerWaalsContact O-CB 3.28Å; E173-M177 WeakPolarHBondContact O-CB 3.15Å; E173-M177 PolarHBondContact O-N 3.28Å; F174-M177 HydrophobicContact CD2-CE 3.81Å; F174-M177 HydrophobicContact CE2-CE 4.22Å; F174-M177 WeakPolarHBondContact O-CB 3.47Å; F174-M177 PolarHBondContact O-N 2.93Å; L175-M177 VanDerWaalsContact C-N 3.33Å; L175-M177 PolarHBondContact O-N 3.26Å; M177-E180 PolarHBondContact O-N 2.85Å; M177-N181 WeakPolarHBondContact O-CB 3.45Å; M177-N181 PolarHBondContact O-N 2.89Å; M177-N181 PolarHBondContact O-ND2 3.18Å; M177-Y182 HydrophobicContact SD-CD2 4.08Å; M177-Y182 HydrophobicContact SD-CE2 3.61Å
178F97Very high96.7Very high19 Ų1930.4 Ų30.48%0.08314%0.144CC..Hα-helixtrans-61.4-49.4178.2-177.4-99.3000112.1F174 L175 S176 E180 N181 Y182 L186F174-F178 HydrophobicContact CE2-CB 4.44Å; F174-F178 PolarHBondContact O-N 3.36Å; L175-F178 WeakPolarHBondContact O-CB 3.38Å; L175-F178 PolarHBondContact O-N 3.19Å; L175-F178 VanDerWaalsContact O-N 3.15Å; S176-F178 VanDerWaalsContact C-N 3.32Å; S176-F178 PolarHBondContact O-N 3.43Å; F178-E180 VanDerWaalsContact C-N 3.31Å; F178-E180 PolarHBondContact O-N 3.29Å; F178-N181 PolarHBondContact O-N 3.28Å; F178-Y182 HydrophobicContact CD2-CD2 4.18Å; F178-Y182 HydrophobicContact CD2-CG 4.28Å; F178-Y182 HydrophobicContact CE2-CG 4.47Å; F178-Y182 CarbonylContact O-C 3.51Å; F178-Y182 WeakPolarHBondContact O-CA 3.35Å; F178-Y182 WeakPolarHBondContact O-CB 3.13Å; F178-Y182 PolarHBondContact O-N 3.43Å; F178-L186 HydrophobicContact CE1-CB 4.41Å; F178-L186 HydrophobicContact CZ-CB 4.48Å
179E95.4Very high96.9Very high30 Ų3030.4 Ų30.414%0.1414%0.143CC..Hα-helixtrans-64.9-33.6179.5-67.5-74-174.100113M55 L175 S176 F208 S210 T213M55-E179 WeakPolarHBondContact CE-O 3.31Å; L175-E179 WeakPolarHBondContact O-CG 3.44Å; L175-E179 PolarHBondContact O-N 3.07Å; S176-E179 PolarHBondContact O-N 3.22Å; E179-F208 WeakPolarHBondContact CG-O 3.44Å; E179-S210 VanDerWaalsContact CD-OG 3.27Å; E179-S210 PolarHBondContact OE1-N 3.35Å; E179-S210 PolarHBondContact OE1-OG 3.06Å; E179-S210 WeakPolarHBondContact OE2-CB 3.36Å; E179-S210 PolarHBondContact OE2-OG 3.14Å; E179-T213 WeakPolarHBondContact OE1-CB 3.45Å; E179-T213 PolarHBondContact OE1-OG1 3.01Å; E179-T213 PolarHBondContact OE2-OG1 3.05Å
180E97.1Very high97.2Very high76 Ų7626 Ų2636%0.35512%0.123SC..Hα-helixtrans-78.5-32-179.6-72.2-177.116700113.4M55 K58 S176 M177 F178M55-E180 VanDerWaalsContact CE-O 3.26Å; M55-E180 WeakPolarHBondContact CE-O 3.46Å; K58-E180 WeakPolarHBondContact CE-OE2 3.48Å; K58-E180 IonicContact NZ-OE1 3.81Å; K58-E180 PolarHBondContact NZ-OE1 3.14Å; K58-E180 IonicContact NZ-OE2 3.26Å; K58-E180 PolarHBondContact NZ-OE2 3.27Å; S176-E180 WeakPolarHBondContact O-CB 3.16Å; S176-E180 WeakPolarHBondContact O-CG 3.07Å; S176-E180 PolarHBondContact O-N 3.32Å; M177-E180 PolarHBondContact O-N 2.85Å; F178-E180 VanDerWaalsContact C-N 3.31Å; F178-E180 PolarHBondContact O-N 3.29Å
181N98.3Very high97.3Very high5 Ų525.7 Ų25.73%0.02712%0.119CC..Hα-helixtrans-116-20-168.3-64.7-74.5000114.6H59 F62 M177 F178 P183H59-N181 PolarHBondContact ND1-OD1 3.26Å; F62-N181 WeakPolarHBondContact CB-OD1 3.27Å; F62-N181 HydrophobicContact CD1-CB 4.1Å; F62-N181 WeakPolarHBondContact CD1-OD1 3.33Å; F62-N181 HydrophobicContact CE1-CB 3.97Å; F62-N181 WeakPolarHBondContact CG-OD1 3.39Å; F62-N181 HydrophobicContact CZ-CB 4.39Å; M177-N181 WeakPolarHBondContact O-CB 3.45Å; M177-N181 PolarHBondContact O-N 2.89Å; M177-N181 PolarHBondContact O-ND2 3.18Å; F178-N181 PolarHBondContact O-N 3.28Å; N181-P183 WeakPolarHBondContact O-CD 3.45Å
182Y97.9Very high97.5Very high5 Ų522.5 Ų22.52%0.0211%0.107CC..SBendtrans-123.146.6-179.1-57.9-83.8000112C128 E129 L132 M177 F178 T185C128-Y182 HydrophobicContact CB-CD1 3.96Å; C128-Y182 HydrophobicContact CB-CD2 4.13Å; C128-Y182 HydrophobicContact CB-CE1 3.55Å; C128-Y182 HydrophobicContact CB-CE2 3.71Å; C128-Y182 HydrophobicContact CB-CG 4.24Å; C128-Y182 VanDerWaalsContact CB-CZ 3.41Å; E129-Y182 WeakPolarHBondContact OE1-CE1 3.23Å; E129-Y182 VanDerWaalsContact OE1-CZ 3.31Å; E129-Y182 PolarHBondContact OE1-OH 3.49Å; L132-Y182 HydrophobicContact CD1-CD1 3.82Å; L132-Y182 HydrophobicContact CD1-CE1 3.73Å; L132-Y182 HydrophobicContact CG-CD1 4.43Å; M177-Y182 HydrophobicContact SD-CD2 4.08Å; M177-Y182 HydrophobicContact SD-CE2 3.61Å; F178-Y182 HydrophobicContact CD2-CD2 4.18Å; F178-Y182 HydrophobicContact CD2-CG 4.28Å; F178-Y182 HydrophobicContact CE2-CG 4.47Å; F178-Y182 CarbonylContact O-C 3.51Å; F178-Y182 WeakPolarHBondContact O-CA 3.35Å; F178-Y182 WeakPolarHBondContact O-CB 3.13Å; F178-Y182 PolarHBondContact O-N 3.43Å; Y182-T185 VanDerWaalsContact C-OG1 3.31Å; Y182-T185 VanDerWaalsContact O-CB 3.27Å; Y182-T185 WeakPolarHBondContact O-CB 3.36Å; Y182-T185 PolarHBondContact O-N 2.93Å; Y182-T185 PolarHBondContact O-OG1 3.42Å
183P97.9Very high97.5Very high6 Ų623.6 Ų23.64%0.03911%0.112CC..THydrogen-bonded Turntrans-59.7150.2-178.326.3-34.3000111.8R40 W41 A44 M55 N181 T185R40-P183 PolarHBondContact NH1-O 3.12Å; R40-P183 VanDerWaalsContact NH1-O 3.15Å; W41-P183 HydrophobicContact CD2-CG 4.07Å; W41-P183 HydrophobicContact CE3-CG 3.65Å; W41-P183 HydrophobicContact CH2-CG 4.04Å; W41-P183 HydrophobicContact CZ2-CG 4.46Å; W41-P183 HydrophobicContact CZ3-CG 3.63Å; A44-P183 HydrophobicContact CB-CB 3.57Å; A44-P183 HydrophobicContact CB-CG 4.48Å; M55-P183 HydrophobicContact CE-CB 3.8Å; M55-P183 HydrophobicContact CE-CG 3.83Å; N181-P183 WeakPolarHBondContact O-CD 3.45Å; P183-T185 PolarHBondContact O-N 2.87Å; P183-T185 PolarHBondContact O-OG1 2.99Å
184E97.6Very high97.4Very high26 Ų2620 Ų2012%0.12110%0.095CC..THydrogen-bonded Turntrans57.914.1176.3-67-76.6130.700114.7R4 R40 R43 A44R4-E184 IonicContact NH2-OE2 2.63Å; R40-E184 HydrophobicContact CB-CB 4.01Å; R40-E184 HydrophobicContact CG-CB 3.95Å; R40-E184 WeakPolarHBondContact O-CG 3.36Å; R43-E184 HydrophobicContact CB-CG 3.85Å; R43-E184 IonicContact CZ-OE2 2.91Å; R43-E184 IonicContact NE-OE2 2.74Å; R43-E184 PolarHBondContact NE-OE2 2.84Å; R43-E184 IonicContact NH2-OE2 2.61Å; A44-E184 HydrophobicContact CB-CG 4.37Å
185T97.9Very high97.4Very high4 Ų420.6 Ų20.63%0.02510%0.1CC..  trans-88.5-27.7-178.2-46.20000111.9R40 L132 T148 I149 Y182 P183 K187R40-T185 PolarHBondContact NH1-OG1 3.1Å; L132-T185 HydrophobicContact CD2-CG2 3.8Å; T148-T185 CarbonylContact C-O 3.58Å; T148-T185 WeakPolarHBondContact CA-O 3.23Å; T148-T185 VanDerWaalsContact CB-O 3.29Å; T148-T185 WeakPolarHBondContact CB-O 3.22Å; I149-T185 HydrophobicContact CG1-CG2 4.44Å; I149-T185 HydrophobicContact CG2-CG2 4.47Å; I149-T185 PolarHBondContact N-O 2.96Å; Y182-T185 VanDerWaalsContact C-OG1 3.31Å; Y182-T185 VanDerWaalsContact O-CB 3.27Å; Y182-T185 WeakPolarHBondContact O-CB 3.36Å; Y182-T185 PolarHBondContact O-N 2.93Å; Y182-T185 PolarHBondContact O-OG1 3.42Å; P183-T185 PolarHBondContact O-N 2.87Å; P183-T185 PolarHBondContact O-OG1 2.99Å; T185-K187 PolarHBondContact O-N 3.48Å
186L98.3Very high97.2Very high5 Ų527.3 Ų27.33%0.02613%0.129CC..EExtended strand (participates in β ladder)trans-72.7125.4175.9-175.663.9000110.2M151 F178 R188 L189 T213 K216M151-L186 HydrophobicContact CB-CD1 4.37Å; M151-L186 HydrophobicContact CG-CD1 3.82Å; M151-L186 HydrophobicContact SD-CD1 3.86Å; F178-L186 HydrophobicContact CE1-CB 4.41Å; F178-L186 HydrophobicContact CZ-CB 4.48Å; L186-R188 WeakPolarHBondContact CD1-O 3.41Å; L186-L189 HydrophobicContact CD1-CB 4.3Å; L186-L189 HydrophobicContact CD2-CB 4.26Å; L186-T213 HydrophobicContact CD2-CG2 3.77Å; L186-K216 HydrophobicContact CB-CD 4.32Å; L186-K216 HydrophobicContact CD2-CB 4.01Å; L186-K216 HydrophobicContact CD2-CD 4.36Å; L186-K216 HydrophobicContact CG-CB 4.37Å; L186-K216 HydrophobicContact CG-CD 4.22Å; L186-K216 VanDerWaalsContact O-CD 3.24Å; L186-K216 WeakPolarHBondContact O-CD 3.5Å; L186-K216 VanDerWaalsContact O-CE 3.28Å; L186-K216 WeakPolarHBondContact O-CE 3.47Å; L186-K216 PolarHBondContact O-NZ 3.48Å
187K98.3Very high97Very high47 Ų4726.7 Ų26.720%0.20412%0.122CC..EExtended strand (participates in β ladder)trans-84.6-53.6167.5-174.9179.2176.9-178.10110.5D92 D94 C96 I149 T185D92-K187 VanDerWaalsContact CG-NZ 3.31Å; D92-K187 IonicContact OD1-NZ 2.87Å; D92-K187 PolarHBondContact OD1-NZ 2.94Å; D92-K187 WeakPolarHBondContact OD2-CD 3.39Å; D92-K187 IonicContact OD2-NZ 3.07Å; D92-K187 PolarHBondContact OD2-NZ 3.28Å; D94-K187 IonicContact OD2-NZ 3.3Å; D94-K187 PolarHBondContact OD2-NZ 3.37Å; C96-K187 HydrophobicContact CB-CD 4.24Å; I149-K187 WeakPolarHBondContact O-CB 3.42Å; I149-K187 PolarHBondContact O-N 3.2Å; T185-K187 PolarHBondContact O-N 3.48Å
188R97.4Very high96.9Very high77 Ų7726.7 Ų26.729%0.29112%0.122SC..EExtended strand (participates in β ladder)trans-160.7146.3-176-170.9158.6-71.8147.910110.6T150 M151 L186 F190 M218 H231T150-R188 WeakPolarHBondContact CA-O 3.39Å; M151-R188 PolarHBondContact N-O 3.24Å; L186-R188 WeakPolarHBondContact CD1-O 3.41Å; R188-F190 HydrophobicContact CB-CE2 4.44Å; R188-F190 VanDerWaalsContact CD-CE1 3.41Å; R188-F190 HydrophobicContact CG-CD1 4.33Å; R188-F190 HydrophobicContact CG-CD2 4.33Å; R188-F190 HydrophobicContact CG-CE1 3.94Å; R188-F190 HydrophobicContact CG-CE2 3.92Å; R188-F190 HydrophobicContact CG-CZ 3.73Å; R188-M218 WeakPolarHBondContact CD-SD 3.34Å; R188-M218 HydrophobicContact CG-CG 4.41Å; R188-M218 HydrophobicContact CG-SD 4.15Å; R188-H231 PolarHBondContact NH1-CD2 2.96Å; R188-H231 PolarHBondContact NH1-NE2 2.94Å
189L98.5Very high96.9Very high17 Ų1726 Ų269%0.08912%0.12CC..EExtended strand (participates in β ladder)trans-121.9117.6171.2-172.8160.7000108.7M151 Y153 L186 V191 K216 I217 M218M151-L189 HydrophobicContact CB-CB 4.32Å; M151-L189 HydrophobicContact CB-CD1 4.43Å; M151-L189 HydrophobicContact CB-CG 4.04Å; M151-L189 CarbonylContact O-C 3.58Å; M151-L189 WeakPolarHBondContact O-CA 3.47Å; M151-L189 HydrophobicContact SD-CD1 4.4Å; Y153-L189 HydrophobicContact CD2-CD1 3.82Å; Y153-L189 HydrophobicContact CD2-CD2 3.94Å; Y153-L189 HydrophobicContact CD2-CG 3.8Å; Y153-L189 HydrophobicContact CE2-CD1 3.84Å; Y153-L189 HydrophobicContact CE2-CG 4.28Å; Y153-L189 HydrophobicContact CG-CD1 4.44Å; Y153-L189 HydrophobicContact CG-CD2 4.05Å; Y153-L189 HydrophobicContact CG-CG 4.41Å; L186-L189 HydrophobicContact CD1-CB 4.3Å; L186-L189 HydrophobicContact CD2-CB 4.26Å; L189-V191 HydrophobicContact CD2-CG2 3.5Å; L189-K216 PolarHBondContact N-O 2.91Å; L189-I217 HydrophobicContact CB-CG1 4.17Å; L189-I217 HydrophobicContact CD1-CG1 4.4Å; L189-I217 HydrophobicContact CD2-CG1 4.33Å; L189-I217 HydrophobicContact CD2-CG2 4.38Å; L189-I217 WeakPolarHBondContact O-CA 3.46Å; L189-M218 PolarHBondContact O-N 3.26Å
190F98.7Very high96.9Very high1 Ų124.7 Ų24.70%0.00411%0.114CC..EExtended strand (participates in β ladder)trans-95.9120.2174.6-63.8-70.7000110.1T150 M151 I152 Y153 R188 M218 L220 V227 L228 H231T150-F190 HydrophobicContact CG2-CD2 3.95Å; T150-F190 HydrophobicContact CG2-CE2 3.84Å; M151-F190 PolarHBondContact O-N 3.48Å; I152-F190 HydrophobicContact CG1-CB 4.49Å; I152-F190 HydrophobicContact CG1-CD2 4.41Å; Y153-F190 PolarHBondContact N-O 2.87Å; R188-F190 HydrophobicContact CB-CE2 4.44Å; R188-F190 VanDerWaalsContact CD-CE1 3.41Å; R188-F190 HydrophobicContact CG-CD1 4.33Å; R188-F190 HydrophobicContact CG-CD2 4.33Å; R188-F190 HydrophobicContact CG-CE1 3.94Å; R188-F190 HydrophobicContact CG-CE2 3.92Å; R188-F190 HydrophobicContact CG-CZ 3.73Å; F190-M218 CarbonylContact C-O 3.58Å; F190-M218 WeakPolarHBondContact CA-O 3.49Å; F190-M218 HydrophobicContact CD1-CB 3.98Å; F190-M218 HydrophobicContact CE1-CB 4.33Å; F190-M218 HydrophobicContact CE1-SD 3.95Å; F190-L220 HydrophobicContact CB-CD1 4.04Å; F190-L220 HydrophobicContact CB-CG 4.5Å; F190-L220 HydrophobicContact CD1-CD1 3.74Å; F190-L220 HydrophobicContact CD1-CD2 4.05Å; F190-L220 HydrophobicContact CD1-CG 4.1Å; F190-L220 HydrophobicContact CG-CD1 4.18Å; F190-V227 HydrophobicContact CE1-CG1 4.5Å; F190-L228 HydrophobicContact CB-CD2 3.93Å; F190-L228 HydrophobicContact CD1-CD2 4.45Å; F190-L228 HydrophobicContact CD2-CD2 3.8Å; F190-L228 HydrophobicContact CE2-CD2 4.39Å; F190-L228 HydrophobicContact CG-CD2 3.82Å; F190-H231 HydrophobicContact CE2-CB 4.26Å; F190-H231 HydrophobicContact CZ-CB 4.07Å; F190-H231 AromaticContact CZ-CD2 3.81Å; F190-H231 AromaticContact CZ-CE1 3.78Å; F190-H231 AromaticContact CZ-CG 3.56Å; F190-H231 AromaticContact CZ-ND1 3.56Å; F190-H231 AromaticContact CZ-NE2 3.91Å
191V98.4Very high96.8Very high4 Ų421.9 Ų21.92%0.02410%0.103CC..EExtended strand (participates in β ladder)trans-93.8119.5169.4-174.40000107.9Y153 C155 L189 A194 F198 I217 M218 V219 L220Y153-V191 WeakPolarHBondContact O-CA 3.39Å; C155-V191 HydrophobicContact CB-CG1 4.17Å; L189-V191 HydrophobicContact CD2-CG2 3.5Å; V191-A194 HydrophobicContact CG1-CB 3.92Å; V191-F198 HydrophobicContact CB-CE2 4.39Å; V191-F198 HydrophobicContact CB-CZ 4.45Å; V191-F198 HydrophobicContact CG1-CD2 4.04Å; V191-F198 HydrophobicContact CG1-CE2 3.59Å; V191-F198 HydrophobicContact CG1-CZ 4.06Å; V191-F198 HydrophobicContact CG2-CE2 4.07Å; V191-F198 HydrophobicContact CG2-CZ 4Å; V191-I217 HydrophobicContact CG2-CG2 4.13Å; V191-M218 PolarHBondContact N-O 3.24Å; V191-V219 HydrophobicContact CB-CG2 4.37Å; V191-V219 HydrophobicContact CG2-CG2 4.46Å; V191-L220 WeakPolarHBondContact O-CB 3.39Å; V191-L220 PolarHBondContact O-N 2.82Å
192V98.3Very high96.8Very high0 Ų022.9 Ų22.90%011%0.107CC..EExtended strand (participates in β ladder)trans-112.1149.8178.6-57.90000110.9I152 Y153 D154 C155 A194 L220 W224 L228I152-V192 HydrophobicContact CG2-CG2 4.26Å; Y153-V192 PolarHBondContact O-N 3.14Å; D154-V192 HydrophobicContact CB-CG2 4.12Å; C155-V192 PolarHBondContact N-O 3.45Å; V192-A194 PolarHBondContact O-N 3.19Å; V192-A194 VanDerWaalsContact O-N 3.15Å; V192-L220 HydrophobicContact CG1-CD1 3.99Å; V192-W224 HydrophobicContact CB-CB 4.28Å; V192-W224 HydrophobicContact CB-CD2 4.11Å; V192-W224 HydrophobicContact CB-CE3 4.05Å; V192-W224 HydrophobicContact CB-CG 4.23Å; V192-W224 HydrophobicContact CG1-CB 3.97Å; V192-W224 HydrophobicContact CG1-CD2 4.26Å; V192-W224 HydrophobicContact CG1-CE3 3.9Å; V192-W224 HydrophobicContact CG1-CG 4.33Å; V192-L228 HydrophobicContact CG1-CD1 4.26Å
193K97.1Very high96.7Very high23 Ų2325.2 Ų25.210%0.112%0.119CC..SBendtrans53.336.6174.9-58.8177.4-71.11710113.4D154 C155 E156 P195 W224D154-K193 VanDerWaalsContact CG-CE 3.41Å; D154-K193 VanDerWaalsContact CG-NZ 3.33Å; D154-K193 WeakPolarHBondContact OD1-CE 3.45Å; D154-K193 IonicContact OD1-NZ 2.71Å; D154-K193 PolarHBondContact OD1-NZ 3.11Å; D154-K193 VanDerWaalsContact OD2-CE 3.24Å; D154-K193 WeakPolarHBondContact OD2-CE 3.25Å; D154-K193 IonicContact OD2-NZ 3.28Å; D154-K193 PolarHBondContact OD2-NZ 2.9Å; C155-K193 CarbonylContact C-O 3.55Å; E156-K193 HydrophobicContact CB-CB 3.8Å; E156-K193 HydrophobicContact CB-CD 3.99Å; E156-K193 HydrophobicContact CG-CD 4.43Å; E156-K193 PolarHBondContact N-O 2.94Å; E156-K193 WeakPolarHBondContact OE2-CD 3.3Å; E156-K193 WeakPolarHBondContact OE2-CE 3.13Å; E156-K193 IonicContact OE2-NZ 2.65Å; E156-K193 PolarHBondContact OE2-NZ 2.61Å; K193-P195 WeakPolarHBondContact O-CD 3.26Å; K193-W224 HydrophobicContact CD-CH2 4.45Å; K193-W224 HydrophobicContact CD-CZ2 3.75Å; K193-W224 HydrophobicContact CG-CZ2 4.05Å
194A95.7Very high96.6Very high0 Ų026.6 Ų26.60%013%0.127CC..  trans-67.3122.8-178.900000111.6C155 V191 V192 F198 V219 M394C155-A194 HydrophobicContact CB-CB 4.45Å; V191-A194 HydrophobicContact CG1-CB 3.92Å; V192-A194 PolarHBondContact O-N 3.19Å; V192-A194 VanDerWaalsContact O-N 3.15Å; A194-F198 HydrophobicContact CB-CB 3.94Å; A194-F198 HydrophobicContact CB-CD1 4.45Å; A194-F198 HydrophobicContact CB-CD2 4.15Å; A194-F198 HydrophobicContact CB-CG 3.91Å; A194-V219 HydrophobicContact CB-CG1 4.31Å; A194-M394 HydrophobicContact CB-CE 3.84Å; A194-M394 HydrophobicContact CB-SD 4.35Å; A194-M394 WeakPolarHBondContact O-CE 3.03Å
195P94.5Very high96.5Very high26 Ų2626.7 Ų26.717%0.16913%0.128CC..  trans-82.5171.3178.132.1-33.2000111.4C155 L158 K193 L197 F198 M394C155-P195 VanDerWaalsContact O-CD 3.25Å; C155-P195 WeakPolarHBondContact O-CD 3.49Å; L158-P195 HydrophobicContact CB-CG 3.71Å; L158-P195 HydrophobicContact CD2-CG 4.3Å; L158-P195 HydrophobicContact CG-CG 4.25Å; L158-P195 WeakPolarHBondContact O-CG 3.46Å; K193-P195 WeakPolarHBondContact O-CD 3.26Å; P195-L197 PolarHBondContact O-N 3.29Å; P195-F198 WeakPolarHBondContact O-CB 3.12Å; P195-F198 PolarHBondContact O-N 3.41Å; P195-M394 WeakPolarHBondContact O-CE 3.48Å
196K91.9Very high96.4Very high154 Ų15429 Ų2967%0.6714%0.137SC*.THydrogen-bonded Turntrans-54-20.9178.1-66.1-172.9177.6-174.40115F198 P199 V400K196-F198 VanDerWaalsContact C-N 3.32Å; K196-P199 VanDerWaalsContact O-CD 3.32Å; K196-P199 WeakPolarHBondContact O-CD 3.34Å; K196-V400 HydrophobicContact CD-CG1 4.25Å; K196-V400 HydrophobicContact CG-CG1 3.89Å
197L93.9Very high96.3Very high21 Ų2133.1 Ų33.111%0.1116%0.164CC..THydrogen-bonded Turntrans-76.7-17.4176.4-169.164.9000113.2G159 L160 L163 P195 V200 A201 V302G159-L197 VanDerWaalsContact CA-CD2 3.45Å; L160-L197 HydrophobicContact CD2-CD1 4.1Å; L160-L197 HydrophobicContact CD2-CD2 4.17Å; L163-L197 HydrophobicContact CD1-CD1 3.99Å; L163-L197 HydrophobicContact CD1-CD2 4.09Å; L163-L197 HydrophobicContact CD1-CG 4.26Å; L163-L197 HydrophobicContact CG-CD2 4.39Å; P195-L197 PolarHBondContact O-N 3.29Å; L197-V200 HydrophobicContact CD1-CB 4.24Å; L197-V200 HydrophobicContact CD1-CG2 4.44Å; L197-V200 WeakPolarHBondContact O-CB 3.31Å; L197-V200 PolarHBondContact O-N 3.23Å; L197-A201 PolarHBondContact O-N 3.26Å; L197-A201 VanDerWaalsContact O-N 3.14Å; L197-V302 HydrophobicContact CD1-CG2 3.69Å
198F95.8Very high96.2Very high14 Ų1434.5 Ų34.56%0.06117%0.171CC..Hα-helixtrans-53.4-44-175.4175.7-92.7000114L158 V191 A194 P195 K196 V200 A201 Y202 V219 A390 M394L158-F198 HydrophobicContact CD2-CB 4.18Å; L158-F198 HydrophobicContact CD2-CD2 4.2Å; V191-F198 HydrophobicContact CB-CE2 4.39Å; V191-F198 HydrophobicContact CB-CZ 4.45Å; V191-F198 HydrophobicContact CG1-CD2 4.04Å; V191-F198 HydrophobicContact CG1-CE2 3.59Å; V191-F198 HydrophobicContact CG1-CZ 4.06Å; V191-F198 HydrophobicContact CG2-CE2 4.07Å; V191-F198 HydrophobicContact CG2-CZ 4Å; A194-F198 HydrophobicContact CB-CB 3.94Å; A194-F198 HydrophobicContact CB-CD1 4.45Å; A194-F198 HydrophobicContact CB-CD2 4.15Å; A194-F198 HydrophobicContact CB-CG 3.91Å; P195-F198 WeakPolarHBondContact O-CB 3.12Å; P195-F198 PolarHBondContact O-N 3.41Å; K196-F198 VanDerWaalsContact C-N 3.32Å; F198-V200 VanDerWaalsContact C-N 3.25Å; F198-V200 PolarHBondContact O-N 3.45Å; F198-A201 PolarHBondContact O-N 2.96Å; F198-A201 VanDerWaalsContact O-N 3.17Å; F198-Y202 HydrophobicContact CE1-CG 4.22Å; F198-Y202 HydrophobicContact CZ-CD2 4.19Å; F198-Y202 HydrophobicContact CZ-CG 4.15Å; F198-Y202 VanDerWaalsContact O-CB 3.29Å; F198-Y202 WeakPolarHBondContact O-CB 3.42Å; F198-Y202 PolarHBondContact O-N 3.42Å; F198-V219 HydrophobicContact CE1-CG2 3.72Å; F198-V219 HydrophobicContact CZ-CG2 4.02Å; F198-A390 HydrophobicContact CE1-CB 4.27Å; F198-M394 HydrophobicContact CB-CE 4.34Å; F198-M394 HydrophobicContact CB-SD 3.89Å; F198-M394 HydrophobicContact CD1-SD 3.62Å; F198-M394 HydrophobicContact CG-SD 4.14Å
199P95.4Very high96.1Very high6 Ų631.5 Ų31.54%0.03916%0.16CC..Hα-helixtrans-58.7-35.5178.4-26.637.5000113.4K196 N203 P386 D387 A390 E391 M394K196-P199 VanDerWaalsContact O-CD 3.32Å; K196-P199 WeakPolarHBondContact O-CD 3.34Å; P199-N203 WeakPolarHBondContact O-CB 3.48Å; P199-N203 PolarHBondContact O-N 2.7Å; P199-N203 VanDerWaalsContact O-N 3.09Å; P199-P386 HydrophobicContact CB-CB 3.81Å; P199-D387 PolarHBondContact O-N 3.16Å; P199-A390 HydrophobicContact CB-CB 4.34Å; P199-E391 HydrophobicContact CB-CB 4.13Å; P199-E391 HydrophobicContact CG-CB 3.93Å; P199-M394 HydrophobicContact CG-SD 3.89Å
200V95.9Very high95.9Very high2 Ų232.7 Ų32.71%0.01217%0.17CC..Hα-helixtrans-68.8-49.8175.5179.20000110.2L163 L197 F198 Y202 N203 L204 G300 V302 L384 P386L163-V200 HydrophobicContact CD1-CG1 4.16Å; L197-V200 HydrophobicContact CD1-CB 4.24Å; L197-V200 HydrophobicContact CD1-CG2 4.44Å; L197-V200 WeakPolarHBondContact O-CB 3.31Å; L197-V200 PolarHBondContact O-N 3.23Å; F198-V200 VanDerWaalsContact C-N 3.25Å; F198-V200 PolarHBondContact O-N 3.45Å; V200-Y202 VanDerWaalsContact C-N 3.34Å; V200-Y202 PolarHBondContact O-N 3.36Å; V200-N203 PolarHBondContact O-N 3.48Å; V200-L204 PolarHBondContact O-N 3.39Å; V200-G300 WeakPolarHBondContact CG2-O 3.3Å; V200-V302 HydrophobicContact CG1-CB 4.25Å; V200-V302 HydrophobicContact CG1-CG2 4.02Å; V200-V302 HydrophobicContact CG2-CG2 4.29Å; V200-L384 HydrophobicContact CG1-CB 3.66Å; V200-P386 HydrophobicContact CG2-CB 3.94Å
201A96.2Very high95.7Very high16 Ų1637.8 Ų37.813%0.13219%0.194CC..Hα-helixtrans-60.4-43.6179.100000112L158 L163 L197 F198 N203 L204 I205L158-A201 HydrophobicContact CD1-CB 4.33Å; L158-A201 HydrophobicContact CD2-CB 3.91Å; L163-A201 HydrophobicContact CD2-CB 3.94Å; L197-A201 PolarHBondContact O-N 3.26Å; L197-A201 VanDerWaalsContact O-N 3.14Å; F198-A201 PolarHBondContact O-N 2.96Å; F198-A201 VanDerWaalsContact O-N 3.17Å; A201-N203 VanDerWaalsContact C-N 3.35Å; A201-N203 PolarHBondContact O-N 3.2Å; A201-L204 WeakPolarHBondContact O-CB 3.36Å; A201-L204 PolarHBondContact O-N 2.85Å; A201-I205 PolarHBondContact O-N 3.22Å
202Y96.9Very high95.6Very high26 Ų2640.1 Ų40.110%0.10221%0.206CC..Hα-helixtrans-61.7-42.6177.3-176.9-119.1000111.3F198 V200 L204 I205 K206 L209 I217 D387 A390F198-Y202 HydrophobicContact CE1-CG 4.22Å; F198-Y202 HydrophobicContact CZ-CD2 4.19Å; F198-Y202 HydrophobicContact CZ-CG 4.15Å; F198-Y202 VanDerWaalsContact O-CB 3.29Å; F198-Y202 WeakPolarHBondContact O-CB 3.42Å; F198-Y202 PolarHBondContact O-N 3.42Å; V200-Y202 VanDerWaalsContact C-N 3.34Å; V200-Y202 PolarHBondContact O-N 3.36Å; Y202-L204 VanDerWaalsContact C-N 3.25Å; Y202-L204 PolarHBondContact O-N 2.97Å; Y202-I205 HydrophobicContact CD2-CD1 3.7Å; Y202-I205 HydrophobicContact CD2-CG1 4.45Å; Y202-I205 HydrophobicContact CE2-CD1 4Å; Y202-I205 WeakPolarHBondContact O-CG1 3.37Å; Y202-I205 PolarHBondContact O-N 3.34Å; Y202-I205 VanDerWaalsContact O-N 3.15Å; Y202-K206 HydrophobicContact CE1-CD 4.19Å; Y202-K206 VanDerWaalsContact O-CB 3.23Å; Y202-K206 WeakPolarHBondContact O-CB 3.39Å; Y202-K206 PolarHBondContact O-N 3.46Å; Y202-L209 HydrophobicContact CE2-CD1 3.84Å; Y202-I217 HydrophobicContact CE2-CD1 3.74Å; Y202-D387 HydrophobicContact CD1-CB 4.07Å; Y202-A390 HydrophobicContact CD1-CB 3.82Å; Y202-A390 HydrophobicContact CE1-CB 4.41Å
203N96Very high95.5Very high54 Ų5440.5 Ų40.529%0.28921%0.208SC..Hα-helixtrans-62.2-31.5178.7-159.629.8000113.1P199 V200 A201 P207 L385 D387P199-N203 WeakPolarHBondContact O-CB 3.48Å; P199-N203 PolarHBondContact O-N 2.7Å; P199-N203 VanDerWaalsContact O-N 3.09Å; V200-N203 PolarHBondContact O-N 3.48Å; A201-N203 VanDerWaalsContact C-N 3.35Å; A201-N203 PolarHBondContact O-N 3.2Å; N203-P207 VanDerWaalsContact O-CD 3.3Å; N203-P207 WeakPolarHBondContact O-CD 3.2Å; N203-L385 WeakPolarHBondContact CB-O 3.16Å; N203-L385 PolarHBondContact ND2-O 2.87Å; N203-D387 HydrophobicContact CB-CB 3.92Å
204L95.8Very high95.5Very high36 Ų3642.1 Ų42.119%0.18821%0.214CC..Hα-helixtrans-68.6-35.4176.2-64.7169.9000112.9L163 V168 V200 A201 Y202 F208 L384L163-L204 HydrophobicContact CD2-CD1 3.81Å; V168-L204 HydrophobicContact CG1-CB 3.94Å; V168-L204 HydrophobicContact CG1-CD1 4.28Å; V168-L204 HydrophobicContact CG2-CD1 4.19Å; V200-L204 PolarHBondContact O-N 3.39Å; A201-L204 WeakPolarHBondContact O-CB 3.36Å; A201-L204 PolarHBondContact O-N 2.85Å; Y202-L204 VanDerWaalsContact C-N 3.25Å; Y202-L204 PolarHBondContact O-N 2.97Å; L204-F208 WeakPolarHBondContact O-CE2 3.36Å; L204-L384 HydrophobicContact CD1-CD1 4.08Å; L204-L384 HydrophobicContact CD2-CB 4.4Å; L204-L384 HydrophobicContact CD2-CD1 4.34Å; L204-L384 HydrophobicContact CD2-CD2 3.89Å; L204-L384 HydrophobicContact CD2-CG 4.42Å
205I95.4Very high95.5Very high28 Ų2850 Ų5014%0.14425%0.248CC..Hα-helixtrans-96-19.3-175.265.177.7000112.6Y171 L175 A201 Y202 P207 F208 L209Y171-I205 HydrophobicContact CD1-CB 4.47Å; Y171-I205 HydrophobicContact CD1-CG2 3.73Å; Y171-I205 HydrophobicContact CE1-CB 4.48Å; Y171-I205 HydrophobicContact CE1-CG2 4.11Å; L175-I205 HydrophobicContact CD1-CB 3.71Å; L175-I205 HydrophobicContact CD1-CD1 4.2Å; L175-I205 HydrophobicContact CD1-CG1 4.36Å; L175-I205 HydrophobicContact CD1-CG2 4.38Å; A201-I205 PolarHBondContact O-N 3.22Å; Y202-I205 HydrophobicContact CD2-CD1 3.7Å; Y202-I205 HydrophobicContact CD2-CG1 4.45Å; Y202-I205 HydrophobicContact CE2-CD1 4Å; Y202-I205 WeakPolarHBondContact O-CG1 3.37Å; Y202-I205 PolarHBondContact O-N 3.34Å; Y202-I205 VanDerWaalsContact O-N 3.15Å; I205-P207 VanDerWaalsContact C-N 3.34Å; I205-F208 WeakPolarHBondContact O-CD2 3.17Å; I205-F208 PolarHBondContact O-N 2.93Å; I205-L209 HydrophobicContact CD1-CD1 3.51Å; I205-L209 HydrophobicContact CD1-CG 4.04Å
206K95.6Very high95.7Very high52 Ų5250.4 Ų50.423%0.22625%0.247CC..G310 helixtrans-51.5-42.4-179.7-176.3179.6-175.8-174.50113.1Y202 F208 L209 R214 D387Y202-K206 HydrophobicContact CE1-CD 4.19Å; Y202-K206 VanDerWaalsContact O-CB 3.23Å; Y202-K206 WeakPolarHBondContact O-CB 3.39Å; Y202-K206 PolarHBondContact O-N 3.46Å; K206-F208 PolarHBondContact O-N 3.42Å; K206-F208 VanDerWaalsContact O-N 3.1Å; K206-L209 PolarHBondContact O-N 3.46Å; K206-R214 PolarHBondContact O-NE 3.14Å; K206-R214 PolarHBondContact O-NH2 3.15Å; K206-D387 IonicContact NZ-OD2 2.82Å; K206-D387 PolarHBondContact NZ-OD2 3.16Å
207P96.9Very high95.9Very high92 Ų9243.9 Ų43.960%0.59722%0.219SC*.G310 helixtrans-56.4-25.8177.8-27.636.7000114.7N203 I205N203-P207 VanDerWaalsContact O-CD 3.3Å; N203-P207 WeakPolarHBondContact O-CD 3.2Å; I205-P207 VanDerWaalsContact C-N 3.34Å
208F95.6Very high96Very high76 Ų7646.2 Ų46.233%0.33323%0.23SC..G310 helixtrans-88.4-5.5179.4-49.6-71.3000113.5G172 L175 S176 E179 L204 I205 K206G172-F208 VanDerWaalsContact CA-CD2 3.47Å; L175-F208 HydrophobicContact CB-CB 3.82Å; L175-F208 HydrophobicContact CD1-CB 4.31Å; S176-F208 VanDerWaalsContact OG-CD1 3.22Å; S176-F208 WeakPolarHBondContact OG-CD1 3.41Å; E179-F208 WeakPolarHBondContact CG-O 3.44Å; L204-F208 WeakPolarHBondContact O-CE2 3.36Å; I205-F208 WeakPolarHBondContact O-CD2 3.17Å; I205-F208 PolarHBondContact O-N 2.93Å; K206-F208 PolarHBondContact O-N 3.42Å; K206-F208 VanDerWaalsContact O-N 3.1Å
209L95.3Very high96.1Very high13 Ų1346 Ų467%0.06823%0.231CC..SBendtrans-98.8136.6-178.3-58.2-177.5000111.6L175 Y202 I205 K206 T213 R214 I217L175-L209 HydrophobicContact CB-CD2 4.32Å; L175-L209 HydrophobicContact CD1-CD2 3.81Å; L175-L209 HydrophobicContact CD1-CG 4.48Å; L175-L209 HydrophobicContact CD2-CD2 3.86Å; L175-L209 HydrophobicContact CG-CD2 4.22Å; Y202-L209 HydrophobicContact CE2-CD1 3.84Å; I205-L209 HydrophobicContact CD1-CD1 3.51Å; I205-L209 HydrophobicContact CD1-CG 4.04Å; K206-L209 PolarHBondContact O-N 3.46Å; L209-T213 HydrophobicContact CB-CG2 4.42Å; L209-T213 HydrophobicContact CD2-CG2 3.98Å; L209-R214 HydrophobicContact CB-CG 3.89Å; L209-R214 HydrophobicContact CD1-CG 4.39Å; L209-R214 PolarHBondContact O-NE 2.86Å; L209-R214 PolarHBondContact O-NH2 3.08Å; L209-I217 HydrophobicContact CD1-CD1 3.66Å
210S95.3Very high96.1Very high42 Ų4246.1 Ų46.129%0.29423%0.231SC..  trans-70.7159.4171.569.80000111.7E179 D212 T213 R214E179-S210 VanDerWaalsContact CD-OG 3.27Å; E179-S210 PolarHBondContact OE1-N 3.35Å; E179-S210 PolarHBondContact OE1-OG 3.06Å; E179-S210 WeakPolarHBondContact OE2-CB 3.36Å; E179-S210 PolarHBondContact OE2-OG 3.14Å; S210-D212 PolarHBondContact O-N 3.4Å; S210-T213 PolarHBondContact O-N 3.42Å; S210-T213 PolarHBondContact OG-N 3.04Å; S210-T213 PolarHBondContact OG-OG1 2.76Å; S210-R214 VanDerWaalsContact O-CG 3.26Å; S210-R214 WeakPolarHBondContact O-CG 3.16Å; S210-R214 PolarHBondContact O-N 3.49Å
211E94.8Very high95.9Very high109 Ų10946.3 Ų46.351%0.50923%0.233SC..Hα-helixtrans-60.5-31.4174.1-72.9-59.6128.700112.6R214 K215E211-R214 IonicContact OE1-CZ 2.78Å; E211-R214 IonicContact OE1-NE 2.87Å; E211-R214 IonicContact OE1-NH1 3.76Å; E211-R214 PolarHBondContact OE1-NH1 3.32Å; E211-K215 WeakPolarHBondContact O-CD 3.49Å; E211-K215 VanDerWaalsContact O-CG 3.24Å; E211-K215 WeakPolarHBondContact O-CG 3.44Å; E211-K215 PolarHBondContact O-N 3.24Å; E211-K215 VanDerWaalsContact O-N 3.14Å
212D94.7Very high95.7Very high52 Ų5249.5 Ų49.528%0.27826%0.259SS..Hα-helixtrans-64.7-50.4174.7176.564.3000111.1S210 R214 K215 K216S210-D212 PolarHBondContact O-N 3.4Å; D212-R214 PolarHBondContact O-N 3Å; D212-K215 PolarHBondContact O-N 3.45Å; D212-K216 VanDerWaalsContact CG-NZ 3.29Å; D212-K216 WeakPolarHBondContact O-CG 3.2Å; D212-K216 PolarHBondContact O-N 3.49Å; D212-K216 WeakPolarHBondContact OD1-CE 3.05Å; D212-K216 IonicContact OD1-NZ 3.25Å; D212-K216 PolarHBondContact OD1-NZ 3.04Å; D212-K216 VanDerWaalsContact OD2-CE 3.31Å; D212-K216 WeakPolarHBondContact OD2-CE 3.32Å; D212-K216 IonicContact OD2-NZ 2.68Å; D212-K216 PolarHBondContact OD2-NZ 3.43Å
213T96.4Very high95.7Very high8 Ų851.6 Ų51.65%0.04927%0.272CS..Hα-helixtrans-59.8-46.4175.9-65.10000111.8E179 L186 L209 S210 K215 K216 I217E179-T213 WeakPolarHBondContact OE1-CB 3.45Å; E179-T213 PolarHBondContact OE1-OG1 3.01Å; E179-T213 PolarHBondContact OE2-OG1 3.05Å; L186-T213 HydrophobicContact CD2-CG2 3.77Å; L209-T213 HydrophobicContact CB-CG2 4.42Å; L209-T213 HydrophobicContact CD2-CG2 3.98Å; S210-T213 PolarHBondContact O-N 3.42Å; S210-T213 PolarHBondContact OG-N 3.04Å; S210-T213 PolarHBondContact OG-OG1 2.76Å; T213-K215 VanDerWaalsContact C-N 3.25Å; T213-K215 PolarHBondContact O-N 2.93Å; T213-K216 WeakPolarHBondContact O-CA 3.35Å; T213-K216 WeakPolarHBondContact O-CB 3.2Å; T213-K216 PolarHBondContact O-N 3.44Å; T213-I217 HydrophobicContact CG2-CD1 4.4Å; T213-I217 WeakPolarHBondContact O-CG1 3.38Å; T213-I217 PolarHBondContact O-N 3.01Å
214R96.6Very high95.7Very high58 Ų5850.5 Ų50.522%0.21926%0.264CS..Hα-helixtrans-57.7-36.7178.8-69170.6-170.4-176.23.1112.6K206 L209 S210 E211 D212 K216 I217K206-R214 PolarHBondContact O-NE 3.14Å; K206-R214 PolarHBondContact O-NH2 3.15Å; L209-R214 HydrophobicContact CB-CG 3.89Å; L209-R214 HydrophobicContact CD1-CG 4.39Å; L209-R214 PolarHBondContact O-NE 2.86Å; L209-R214 PolarHBondContact O-NH2 3.08Å; S210-R214 VanDerWaalsContact O-CG 3.26Å; S210-R214 WeakPolarHBondContact O-CG 3.16Å; S210-R214 PolarHBondContact O-N 3.49Å; E211-R214 IonicContact OE1-CZ 2.78Å; E211-R214 IonicContact OE1-NE 2.87Å; E211-R214 IonicContact OE1-NH1 3.76Å; E211-R214 PolarHBondContact OE1-NH1 3.32Å; D212-R214 PolarHBondContact O-N 3Å; R214-K216 VanDerWaalsContact C-N 3.29Å; R214-K216 PolarHBondContact O-N 2.93Å; R214-I217 PolarHBondContact O-N 2.91Å
215K96.8Very high95.9Very high164 Ų16453 Ų5371%0.71327%0.274SS*.Hα-helixtrans-70-24.8176-73.9169.7-175.1175.50113.2E211 D212 T213E211-K215 WeakPolarHBondContact O-CD 3.49Å; E211-K215 VanDerWaalsContact O-CG 3.24Å; E211-K215 WeakPolarHBondContact O-CG 3.44Å; E211-K215 PolarHBondContact O-N 3.24Å; E211-K215 VanDerWaalsContact O-N 3.14Å; D212-K215 PolarHBondContact O-N 3.45Å; T213-K215 VanDerWaalsContact C-N 3.25Å; T213-K215 PolarHBondContact O-N 2.93Å
216K97.6Very high96Very high35 Ų3557.4 Ų57.415%0.15229%0.294CS..Hα-helixtrans-89.3-8.7-179.9-68.5168.9177.4173.80113.4L186 L189 D212 T213 R214L186-K216 HydrophobicContact CB-CD 4.32Å; L186-K216 HydrophobicContact CD2-CB 4.01Å; L186-K216 HydrophobicContact CD2-CD 4.36Å; L186-K216 HydrophobicContact CG-CB 4.37Å; L186-K216 HydrophobicContact CG-CD 4.22Å; L186-K216 VanDerWaalsContact O-CD 3.24Å; L186-K216 WeakPolarHBondContact O-CD 3.5Å; L186-K216 VanDerWaalsContact O-CE 3.28Å; L186-K216 WeakPolarHBondContact O-CE 3.47Å; L186-K216 PolarHBondContact O-NZ 3.48Å; L189-K216 PolarHBondContact N-O 2.91Å; D212-K216 VanDerWaalsContact CG-NZ 3.29Å; D212-K216 WeakPolarHBondContact O-CG 3.2Å; D212-K216 PolarHBondContact O-N 3.49Å; D212-K216 WeakPolarHBondContact OD1-CE 3.05Å; D212-K216 IonicContact OD1-NZ 3.25Å; D212-K216 PolarHBondContact OD1-NZ 3.04Å; D212-K216 VanDerWaalsContact OD2-CE 3.31Å; D212-K216 WeakPolarHBondContact OD2-CE 3.32Å; D212-K216 IonicContact OD2-NZ 2.68Å; D212-K216 PolarHBondContact OD2-NZ 3.43Å; T213-K216 WeakPolarHBondContact O-CA 3.35Å; T213-K216 WeakPolarHBondContact O-CB 3.2Å; T213-K216 PolarHBondContact O-N 3.44Å; R214-K216 VanDerWaalsContact C-N 3.29Å; R214-K216 PolarHBondContact O-N 2.93Å
217I97.4Very high96.1Very high18 Ų1855.9 Ų55.99%0.09229%0.289CS..EExtended strand (participates in β ladder)trans-78.2121.3174.6-66.2172000109.9L189 V191 Y202 L209 T213 R214L189-I217 HydrophobicContact CB-CG1 4.17Å; L189-I217 HydrophobicContact CD1-CG1 4.4Å; L189-I217 HydrophobicContact CD2-CG1 4.33Å; L189-I217 HydrophobicContact CD2-CG2 4.38Å; L189-I217 WeakPolarHBondContact O-CA 3.46Å; V191-I217 HydrophobicContact CG2-CG2 4.13Å; Y202-I217 HydrophobicContact CE2-CD1 3.74Å; L209-I217 HydrophobicContact CD1-CD1 3.66Å; T213-I217 HydrophobicContact CG2-CD1 4.4Å; T213-I217 WeakPolarHBondContact O-CG1 3.38Å; T213-I217 PolarHBondContact O-N 3.01Å; R214-I217 PolarHBondContact O-N 2.91Å
218M96.3Very high96.2Very high69 Ų6951.5 Ų51.534%0.3426%0.26SS..EExtended strand (participates in β ladder)trans-117.4104.7174.8-66.2-17266.700109.1R188 L189 F190 V191 L220R188-M218 WeakPolarHBondContact CD-SD 3.34Å; R188-M218 HydrophobicContact CG-CG 4.41Å; R188-M218 HydrophobicContact CG-SD 4.15Å; L189-M218 PolarHBondContact O-N 3.26Å; F190-M218 CarbonylContact C-O 3.58Å; F190-M218 WeakPolarHBondContact CA-O 3.49Å; F190-M218 HydrophobicContact CD1-CB 3.98Å; F190-M218 HydrophobicContact CE1-CB 4.33Å; F190-M218 HydrophobicContact CE1-SD 3.95Å; V191-M218 PolarHBondContact N-O 3.24Å; M218-L220 HydrophobicContact CB-CD2 4.33Å
219V96.2Very high96.3Very high11 Ų1151 Ų517%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-70.7133.7165.1-171.20000107.4V191 A194 F198 M394 Q397V191-V219 HydrophobicContact CB-CG2 4.37Å; V191-V219 HydrophobicContact CG2-CG2 4.46Å; A194-V219 HydrophobicContact CB-CG1 4.31Å; F198-V219 HydrophobicContact CE1-CG2 3.72Å; F198-V219 HydrophobicContact CZ-CG2 4.02Å; V219-M394 HydrophobicContact CG1-CG 3.85Å; V219-Q397 VanDerWaalsContact C-OE1 3.26Å; V219-Q397 VanDerWaalsContact O-CD 3.28Å; V219-Q397 PolarHBondContact O-NE2 3.44Å; V219-Q397 VanDerWaalsContact O-NE2 3.08Å; V219-Q397 PolarHBondContact O-OE1 2.63Å
220L95.6Very high96.5Very high8 Ų857 Ų574%0.04229%0.286CS..  trans-110.7144.3-178.3-59.6-171.7000110.8F190 V191 V192 M218 W224 V227 L228F190-L220 HydrophobicContact CB-CD1 4.04Å; F190-L220 HydrophobicContact CB-CG 4.5Å; F190-L220 HydrophobicContact CD1-CD1 3.74Å; F190-L220 HydrophobicContact CD1-CD2 4.05Å; F190-L220 HydrophobicContact CD1-CG 4.1Å; F190-L220 HydrophobicContact CG-CD1 4.18Å; V191-L220 WeakPolarHBondContact O-CB 3.39Å; V191-L220 PolarHBondContact O-N 2.82Å; V192-L220 HydrophobicContact CG1-CD1 3.99Å; M218-L220 HydrophobicContact CB-CD2 4.33Å; L220-W224 HydrophobicContact CB-CB 3.7Å; L220-W224 HydrophobicContact CD1-CB 4.09Å; L220-V227 HydrophobicContact CD1-CB 4.07Å; L220-V227 HydrophobicContact CD1-CG1 4.02Å; L220-V227 HydrophobicContact CD2-CB 4.26Å; L220-V227 HydrophobicContact CD2-CG1 3.7Å; L220-L228 HydrophobicContact CD1-CD2 4.12Å; L220-L228 HydrophobicContact CD1-CG 4.38Å
221G92.3Very high96.6Very high5 Ų557.3 Ų57.35%0.05228%0.282CS..  trans-82.8-160.8178.200000114.2N223 W224 Q397G221-N223 PolarHBondContact O-N 2.63Å; G221-N223 VanDerWaalsContact O-N 3.16Å; G221-W224 WeakPolarHBondContact O-CB 3.43Å; G221-W224 PolarHBondContact O-N 3.47Å; G221-W224 VanDerWaalsContact O-N 3.1Å; G221-Q397 VanDerWaalsContact CA-O 3.24Å; G221-Q397 WeakPolarHBondContact CA-O 3.14Å
222A93.1Very high96.8Very high84 Ų8452.1 Ų52.169%0.69426%0.258SS*.THydrogen-bonded Turntrans-57.8-29.617900000113.7W224A222-W224 PolarHBondContact O-N 2.99Å
223N95.4Very high97Very high69 Ų6950.9 Ų50.937%0.36925%0.254SS..THydrogen-bonded Turntrans-8724.1178.372-30.5000113.8G221 K225 E226 V227G221-N223 PolarHBondContact O-N 2.63Å; G221-N223 VanDerWaalsContact O-N 3.16Å; N223-K225 PolarHBondContact O-N 2.84Å; N223-K225 VanDerWaalsContact O-N 3.16Å; N223-E226 WeakPolarHBondContact O-CB 3.36Å; N223-E226 PolarHBondContact O-N 3.11Å; N223-V227 PolarHBondContact O-N 3.02Å; N223-V227 VanDerWaalsContact O-N 3.16Å
224W97.6Very high97.1Very high32 Ų3253 Ų5312%0.12127%0.267CS..Hα-helixtrans-53-38.5-175.461-90.9000113.5V192 K193 L220 G221 A222 E226 V227 L228 Y241V192-W224 HydrophobicContact CB-CB 4.28Å; V192-W224 HydrophobicContact CB-CD2 4.11Å; V192-W224 HydrophobicContact CB-CE3 4.05Å; V192-W224 HydrophobicContact CB-CG 4.23Å; V192-W224 HydrophobicContact CG1-CB 3.97Å; V192-W224 HydrophobicContact CG1-CD2 4.26Å; V192-W224 HydrophobicContact CG1-CE3 3.9Å; V192-W224 HydrophobicContact CG1-CG 4.33Å; K193-W224 HydrophobicContact CD-CH2 4.45Å; K193-W224 HydrophobicContact CD-CZ2 3.75Å; K193-W224 HydrophobicContact CG-CZ2 4.05Å; L220-W224 HydrophobicContact CB-CB 3.7Å; L220-W224 HydrophobicContact CD1-CB 4.09Å; G221-W224 WeakPolarHBondContact O-CB 3.43Å; G221-W224 PolarHBondContact O-N 3.47Å; G221-W224 VanDerWaalsContact O-N 3.1Å; A222-W224 PolarHBondContact O-N 2.99Å; W224-E226 PolarHBondContact O-N 3.24Å; W224-V227 PolarHBondContact O-N 3.48Å; W224-L228 HydrophobicContact CE3-CD1 3.8Å; W224-L228 HydrophobicContact CZ3-CD1 3.98Å; W224-L228 WeakPolarHBondContact O-CG 3.39Å; W224-L228 PolarHBondContact O-N 3.28Å; W224-Y241 HydrophobicContact CH2-CD1 4.34Å; W224-Y241 AromaticContact CZ3-CD1 3.95Å; W224-Y241 HydrophobicContact CZ3-CD1 3.95Å
225K98.3Very high97.2Very high89 Ų8955.1 Ų55.139%0.38728%0.28SS..Hα-helixtrans-58.3-47.7176.2-70.8-172.2173-169.40112N223 V227 L228 L229N223-K225 PolarHBondContact O-N 2.84Å; N223-K225 VanDerWaalsContact O-N 3.16Å; K225-V227 VanDerWaalsContact C-N 3.3Å; K225-V227 PolarHBondContact O-N 2.86Å; K225-L228 PolarHBondContact O-N 3.46Å; K225-L229 WeakPolarHBondContact O-CG 3.48Å; K225-L229 PolarHBondContact O-N 2.92Å
226E98.1Very high97.3Very high120 Ų12050 Ų5056%0.56126%0.259SS*.Hα-helixtrans-62.1-39177.8-61.1174.9-174.500111.7N223 W224 L229 K230N223-E226 WeakPolarHBondContact O-CB 3.36Å; N223-E226 PolarHBondContact O-N 3.11Å; W224-E226 PolarHBondContact O-N 3.24Å; E226-L229 PolarHBondContact O-N 3.31Å; E226-K230 WeakPolarHBondContact O-CG 3.08Å; E226-K230 PolarHBondContact O-N 3.41Å
227V98.1Very high97.4Very high20 Ų2048.3 Ų48.312%0.12125%0.251CS..Hα-helixtrans-69.6-39.1178.6-179.40000111.5F190 L220 N223 W224 K225 L229 K230 H231F190-V227 HydrophobicContact CE1-CG1 4.5Å; L220-V227 HydrophobicContact CD1-CB 4.07Å; L220-V227 HydrophobicContact CD1-CG1 4.02Å; L220-V227 HydrophobicContact CD2-CB 4.26Å; L220-V227 HydrophobicContact CD2-CG1 3.7Å; N223-V227 PolarHBondContact O-N 3.02Å; N223-V227 VanDerWaalsContact O-N 3.16Å; W224-V227 PolarHBondContact O-N 3.48Å; K225-V227 VanDerWaalsContact C-N 3.3Å; K225-V227 PolarHBondContact O-N 2.86Å; V227-L229 VanDerWaalsContact C-N 3.32Å; V227-L229 PolarHBondContact O-N 3.48Å; V227-K230 WeakPolarHBondContact O-CB 3.45Å; V227-K230 PolarHBondContact O-N 3.13Å; V227-H231 PolarHBondContact O-ND1 2.95Å
228L98.7Very high97.4Very high0 Ų047.5 Ų47.50%025%0.247CC..Hα-helixtrans-60.9-42.9173.6-69.6-176.6000111.1I152 F190 V192 L220 W224 K225 K230 H231 I232 L237I152-L228 HydrophobicContact CD1-CD1 4.15Å; I152-L228 HydrophobicContact CD1-CD2 3.94Å; I152-L228 HydrophobicContact CG1-CD2 4.14Å; F190-L228 HydrophobicContact CB-CD2 3.93Å; F190-L228 HydrophobicContact CD1-CD2 4.45Å; F190-L228 HydrophobicContact CD2-CD2 3.8Å; F190-L228 HydrophobicContact CE2-CD2 4.39Å; F190-L228 HydrophobicContact CG-CD2 3.82Å; V192-L228 HydrophobicContact CG1-CD1 4.26Å; L220-L228 HydrophobicContact CD1-CD2 4.12Å; L220-L228 HydrophobicContact CD1-CG 4.38Å; W224-L228 HydrophobicContact CE3-CD1 3.8Å; W224-L228 HydrophobicContact CZ3-CD1 3.98Å; W224-L228 WeakPolarHBondContact O-CG 3.39Å; W224-L228 PolarHBondContact O-N 3.28Å; K225-L228 PolarHBondContact O-N 3.46Å; L228-K230 PolarHBondContact O-N 3.21Å; L228-H231 CarbonylContact O-C 3.53Å; L228-H231 PolarHBondContact O-N 3.17Å; L228-I232 PolarHBondContact O-N 3.37Å; L228-L237 HydrophobicContact CB-CD2 4.01Å; L228-L237 HydrophobicContact CD1-CD1 4.42Å
229L98.6Very high97.6Very high64 Ų6446.9 Ų46.934%0.33525%0.247SC..Hα-helixtrans-64.3-21.1177.5-70.8174.6000114.2K225 E226 V227 H231 I232 P234 L237K225-L229 WeakPolarHBondContact O-CG 3.48Å; K225-L229 PolarHBondContact O-N 2.92Å; E226-L229 PolarHBondContact O-N 3.31Å; V227-L229 VanDerWaalsContact C-N 3.32Å; V227-L229 PolarHBondContact O-N 3.48Å; L229-H231 PolarHBondContact O-N 2.92Å; L229-I232 WeakPolarHBondContact CA-O 3.29Å; L229-P234 HydrophobicContact CD2-CB 4.15Å; L229-P234 HydrophobicContact CD2-CG 3.96Å; L229-L237 HydrophobicContact CD2-CD2 3.73Å; L229-L237 HydrophobicContact CG-CD2 4.21Å
230K98.4Very high97.7Very high141 Ų14148.9 Ų48.961%0.61326%0.256SS*.THydrogen-bonded Turntrans-72.1-14170.8-68173.1-173.9178.50113.2L93 E226 V227 L228L93-K230 WeakPolarHBondContact CD1-O 3.06Å; E226-K230 WeakPolarHBondContact O-CG 3.08Å; E226-K230 PolarHBondContact O-N 3.41Å; V227-K230 WeakPolarHBondContact O-CB 3.45Å; V227-K230 PolarHBondContact O-N 3.13Å; L228-K230 PolarHBondContact O-N 3.21Å
231H98.6Very high97.8Very high47 Ų4748.5 Ų48.522%0.21825%0.254CS..THydrogen-bonded Turntrans-121.3-24.2-174.3-62.690.7000113.1D92 L93 R188 F190 V227 L228 L229D92-H231 WeakPolarHBondContact CB-O 3.47Å; L93-H231 WeakPolarHBondContact CB-O 3.28Å; L93-H231 VanDerWaalsContact CG-O 3.31Å; L93-H231 WeakPolarHBondContact CG-O 3.37Å; L93-H231 PolarHBondContact N-O 3.3Å; R188-H231 PolarHBondContact NH1-CD2 2.96Å; R188-H231 PolarHBondContact NH1-NE2 2.94Å; F190-H231 HydrophobicContact CE2-CB 4.26Å; F190-H231 HydrophobicContact CZ-CB 4.07Å; F190-H231 AromaticContact CZ-CD2 3.81Å; F190-H231 AromaticContact CZ-CE1 3.78Å; F190-H231 AromaticContact CZ-CG 3.56Å; F190-H231 AromaticContact CZ-ND1 3.56Å; F190-H231 AromaticContact CZ-NE2 3.91Å; V227-H231 PolarHBondContact O-ND1 2.95Å; L228-H231 CarbonylContact O-C 3.53Å; L228-H231 PolarHBondContact O-N 3.17Å; L229-H231 PolarHBondContact O-N 2.92Å
232I98.8Very high98.1Very high0 Ų049.3 Ų49.30%026%0.262CS..SBendtrans-131.4129.4-176.5-54.3170.1000107.4D92 V98 I152 L228 L229 Q236 L237D92-I232 HydrophobicContact CB-CG1 3.94Å; V98-I232 HydrophobicContact CG1-CD1 4.11Å; V98-I232 HydrophobicContact CG2-CD1 3.95Å; V98-I232 HydrophobicContact CG2-CG1 4.33Å; I152-I232 HydrophobicContact CD1-CD1 3.71Å; L228-I232 PolarHBondContact O-N 3.37Å; L229-I232 WeakPolarHBondContact CA-O 3.29Å; I232-Q236 HydrophobicContact CG2-CB 3.87Å; I232-L237 HydrophobicContact CD1-CD1 4.14Å; I232-L237 HydrophobicContact CG2-CB 3.9Å; I232-L237 HydrophobicContact CG2-CD1 4.41Å
233S98.6Very high98.4Very high26 Ų2645.8 Ų45.818%0.18223%0.234CC..  trans-62.4144.7177.8-153.30000110.9E235 Q236 L237S233-E235 VanDerWaalsContact C-N 3.26Å; S233-E235 WeakPolarHBondContact CB-OE1 3.31Å; S233-E235 PolarHBondContact O-N 2.93Å; S233-E235 PolarHBondContact OG-OE1 2.82Å; S233-E235 PolarHBondContact OG-OE2 3.13Å; S233-Q236 WeakPolarHBondContact O-CA 3.34Å; S233-Q236 PolarHBondContact O-N 2.75Å; S233-L237 PolarHBondContact O-N 3.41Å
234P98.7Very high98.5Very high52 Ų5246.6 Ų46.634%0.33824%0.242SC..G310 helixtrans-52.3-41.9-177.9-23.429.6000113.5L229 Q236 L237 G243 T244L229-P234 HydrophobicContact CD2-CB 4.15Å; L229-P234 HydrophobicContact CD2-CG 3.96Å; P234-Q236 PolarHBondContact O-N 3.17Å; P234-L237 PolarHBondContact O-N 3.49Å; P234-L237 VanDerWaalsContact O-N 3.11Å; P234-G243 WeakPolarHBondContact O-CA 3.36Å; P234-T244 HydrophobicContact CB-CG2 4.03Å; P234-T244 PolarHBondContact O-N 3.3Å; P234-T244 PolarHBondContact O-OG1 3.5Å
235E98.6Very high98.6Very high103 Ų10346.3 Ų46.348%0.48124%0.242SC..G310 helixtrans-69.8-14.9179.267.8-78.9177.800114.2S233 T244 M245S233-E235 VanDerWaalsContact C-N 3.26Å; S233-E235 WeakPolarHBondContact CB-OE1 3.31Å; S233-E235 PolarHBondContact O-N 2.93Å; S233-E235 PolarHBondContact OG-OE1 2.82Å; S233-E235 PolarHBondContact OG-OE2 3.13Å; E235-T244 WeakPolarHBondContact CA-OG1 3.49Å; E235-T244 PolarHBondContact N-OG1 3.46Å; E235-M245 WeakPolarHBondContact O-CE 3.42Å
236Q98.7Very high98.6Very high57 Ų5745.1 Ų45.127%0.26624%0.242SC..G310 helixtrans-97.9-5.5174.6-64.5-57.4-49.600113Y91 I232 S233 P234 M245Y91-Q236 WeakPolarHBondContact O-CB 3.43Å; I232-Q236 HydrophobicContact CG2-CB 3.87Å; S233-Q236 WeakPolarHBondContact O-CA 3.34Å; S233-Q236 PolarHBondContact O-N 2.75Å; P234-Q236 PolarHBondContact O-N 3.17Å; Q236-M245 VanDerWaalsContact CA-CE 3.47Å; Q236-M245 WeakPolarHBondContact O-CE 3.35Å
237L98.8Very high98.6Very high0 Ų039.9 Ų39.90%022%0.218CC..SBendtrans-112.9130.5-177.1-175.266.9000109.7Y100 I152 L228 L229 I232 S233 P234 Y241 G243 T244 M245Y100-L237 WeakPolarHBondContact OH-CD1 3.21Å; I152-L237 HydrophobicContact CD1-CD1 4.27Å; L228-L237 HydrophobicContact CB-CD2 4.01Å; L228-L237 HydrophobicContact CD1-CD1 4.42Å; L229-L237 HydrophobicContact CD2-CD2 3.73Å; L229-L237 HydrophobicContact CG-CD2 4.21Å; I232-L237 HydrophobicContact CD1-CD1 4.14Å; I232-L237 HydrophobicContact CG2-CB 3.9Å; I232-L237 HydrophobicContact CG2-CD1 4.41Å; S233-L237 PolarHBondContact O-N 3.41Å; P234-L237 PolarHBondContact O-N 3.49Å; P234-L237 VanDerWaalsContact O-N 3.11Å; L237-Y241 WeakPolarHBondContact CD2-O 3.34Å; L237-G243 CarbonylContact O-C 3.51Å; L237-G243 VanDerWaalsContact O-CA 3.3Å; L237-G243 WeakPolarHBondContact O-CA 3.12Å; L237-T244 PolarHBondContact O-N 3.01Å; L237-T244 VanDerWaalsContact O-N 3.16Å; L237-M245 VanDerWaalsContact O-CB 3.29Å; L237-M245 WeakPolarHBondContact O-CB 3.28Å; L237-M245 PolarHBondContact O-N 3.28Å
238P98.9Very high98.6Very high0 Ų045.4 Ų45.40%025%0.254CS..BIsolated β-bridgetrans-58148.2175.8-22.632.4000112.4Y100 E240 Y241 G242 G243 M245 C254 I258Y100-P238 WeakPolarHBondContact OH-CD 3.19Å; P238-E240 PolarHBondContact O-N 3.34Å; P238-Y241 HydrophobicContact CB-CD2 3.97Å; P238-Y241 HydrophobicContact CG-CD2 4Å; P238-Y241 CarbonylContact O-C 3.51Å; P238-Y241 WeakPolarHBondContact O-CA 3.26Å; P238-Y241 PolarHBondContact O-N 2.82Å; P238-G242 PolarHBondContact O-N 3.39Å; P238-G243 PolarHBondContact O-N 3.37Å; P238-M245 WeakPolarHBondContact CA-O 3.35Å; P238-C254 HydrophobicContact CB-CB 4.32Å; P238-C254 HydrophobicContact CG-CB 4.24Å; P238-I258 HydrophobicContact CG-CD1 3.83Å
239V98.8Very high98.5Very high57 Ų5751.4 Ų51.435%0.34529%0.286SS..G310 helixtrans-55-39.4174.7170.30000111.4Y241 G242 G243 M245 T246 P252V239-Y241 PolarHBondContact O-N 3.3Å; V239-Y241 VanDerWaalsContact O-N 3.16Å; V239-G242 PolarHBondContact O-N 2.99Å; V239-G243 WeakPolarHBondContact CA-O 3.43Å; V239-M245 PolarHBondContact N-O 2.98Å; V239-T246 HydrophobicContact CG2-CG2 3.74Å; V239-P252 HydrophobicContact CB-CB 3.59Å; V239-P252 HydrophobicContact CG1-CB 3.65Å; V239-P252 HydrophobicContact CG2-CB 4.5Å; V239-P252 PolarHBondContact N-O 3.07Å
240E98.6Very high98.5Very high52 Ų5250.4 Ų50.424%0.24329%0.292CS..G310 helixtrans-49.7-39.8173.1-17764.4-144.100112.2P238 P252 K253P238-E240 PolarHBondContact O-N 3.34Å; E240-P252 WeakPolarHBondContact CB-O 3.35Å; E240-P252 PolarHBondContact N-O 3.43Å; E240-K253 HydrophobicContact CB-CG 4.4Å; E240-K253 HydrophobicContact CG-CG 4.4Å; E240-K253 VanDerWaalsContact OE2-CE 3.3Å; E240-K253 WeakPolarHBondContact OE2-CE 3.26Å
241Y98.7Very high98.5Very high0 Ų045.8 Ų45.80%027%0.274CS..G310 helixtrans-95.810.4-178.4-64-78.9000114.3Y100 I102 I152 D154 W224 L237 P238 V239 I258Y100-Y241 HydrophobicContact CD1-CD2 4.02Å; Y100-Y241 HydrophobicContact CD1-CE1 4.34Å; Y100-Y241 AromaticContact CD1-CE2 3.72Å; Y100-Y241 HydrophobicContact CD1-CE2 3.72Å; Y100-Y241 HydrophobicContact CD1-CG 4.48Å; Y100-Y241 AromaticContact CD1-CZ 3.91Å; Y100-Y241 HydrophobicContact CE1-CD1 4.29Å; Y100-Y241 AromaticContact CE1-CD2 3.54Å; Y100-Y241 HydrophobicContact CE1-CD2 3.54Å; Y100-Y241 HydrophobicContact CE1-CE1 4.46Å; Y100-Y241 AromaticContact CE1-CE2 3.76Å; Y100-Y241 HydrophobicContact CE1-CE2 3.76Å; Y100-Y241 AromaticContact CE1-CG 3.86Å; Y100-Y241 HydrophobicContact CE1-CG 3.86Å; I102-Y241 WeakPolarHBondContact CD1-OH 3.38Å; I152-Y241 HydrophobicContact CG2-CD1 4.45Å; I152-Y241 HydrophobicContact CG2-CE1 4.48Å; D154-Y241 HydrophobicContact CB-CE1 4.12Å; D154-Y241 PolarHBondContact OD2-OH 2.74Å; W224-Y241 HydrophobicContact CH2-CD1 4.34Å; W224-Y241 AromaticContact CZ3-CD1 3.95Å; W224-Y241 HydrophobicContact CZ3-CD1 3.95Å; L237-Y241 WeakPolarHBondContact CD2-O 3.34Å; P238-Y241 HydrophobicContact CB-CD2 3.97Å; P238-Y241 HydrophobicContact CG-CD2 4Å; P238-Y241 CarbonylContact O-C 3.51Å; P238-Y241 WeakPolarHBondContact O-CA 3.26Å; P238-Y241 PolarHBondContact O-N 2.82Å; V239-Y241 PolarHBondContact O-N 3.3Å; V239-Y241 VanDerWaalsContact O-N 3.16Å; Y241-I258 HydrophobicContact CE2-CD1 4.46Å
242G98.3Very high98.5Very high22 Ų2246 Ų4623%0.22728%0.279CS..THydrogen-bonded Turntrans97.16174.800000115.6P238 V239P238-G242 PolarHBondContact O-N 3.39Å; V239-G242 PolarHBondContact O-N 2.99Å
243G98.6Very high98.5Very high10 Ų1049.6 Ų49.610%0.10330%0.295CS..SBendtrans-93.3-150.417300000113.4P234 L237 P238 V239P234-G243 WeakPolarHBondContact O-CA 3.36Å; L237-G243 CarbonylContact O-C 3.51Å; L237-G243 VanDerWaalsContact O-CA 3.3Å; L237-G243 WeakPolarHBondContact O-CA 3.12Å; P238-G243 PolarHBondContact O-N 3.37Å; V239-G243 WeakPolarHBondContact CA-O 3.43Å
244T98.8Very high98.5Very high87 Ų8748.4 Ų48.453%0.53429%0.286SS..SBendtrans-128.70.1-178.562.10000113.3P234 E235 L237P234-T244 HydrophobicContact CB-CG2 4.03Å; P234-T244 PolarHBondContact O-N 3.3Å; P234-T244 PolarHBondContact O-OG1 3.5Å; E235-T244 WeakPolarHBondContact CA-OG1 3.49Å; E235-T244 PolarHBondContact N-OG1 3.46Å; L237-T244 PolarHBondContact O-N 3.01Å; L237-T244 VanDerWaalsContact O-N 3.16Å
245M98.8Very high98.4Very high26 Ų2651.7 Ų51.713%0.12830%0.295CS..BIsolated β-bridgetrans-71.9134.6177.2-171.4-171.6-63.900111E235 Q236 L237 P238 V239 C254E235-M245 WeakPolarHBondContact O-CE 3.42Å; Q236-M245 VanDerWaalsContact CA-CE 3.47Å; Q236-M245 WeakPolarHBondContact O-CE 3.35Å; L237-M245 VanDerWaalsContact O-CB 3.29Å; L237-M245 WeakPolarHBondContact O-CB 3.28Å; L237-M245 PolarHBondContact O-N 3.28Å; P238-M245 WeakPolarHBondContact CA-O 3.35Å; V239-M245 PolarHBondContact N-O 2.98Å; M245-C254 PolarHBondContact O-SG 3.45Å
246T98.8Very high98.4Very high63 Ų6350.7 Ų50.739%0.38730%0.3SS..  trans-129.4167.5170.865.10000110V239 N251V239-T246 HydrophobicContact CG2-CG2 3.74Å; T246-N251 WeakPolarHBondContact CA-O 3.34Å; T246-N251 WeakPolarHBondContact CB-O 3.48Å
247D98.5Very high98.3Very high11 Ų1153 Ų536%0.05931%0.309CS..  trans-64.9166.4161-76.2-36.5000111.4D249 G250 N251 C254 K255 S256D247-D249 WeakPolarHBondContact CB-OD1 3.12Å; D247-D249 PolarHBondContact O-N 3.12Å; D247-D249 VanDerWaalsContact O-N 3.17Å; D247-G250 PolarHBondContact O-N 3.36Å; D247-N251 HydrophobicContact CB-CB 3.99Å; D247-N251 PolarHBondContact N-O 3.01Å; D247-C254 VanDerWaalsContact CG-CA 3.47Å; D247-C254 VanDerWaalsContact OD1-CA 3.29Å; D247-C254 WeakPolarHBondContact OD1-CA 3.33Å; D247-C254 VanDerWaalsContact OD2-C 3.24Å; D247-C254 WeakPolarHBondContact OD2-CA 3.33Å; D247-K255 PolarHBondContact OD2-N 3.36Å; D247-S256 WeakPolarHBondContact OD1-CB 3.32Å; D247-S256 PolarHBondContact OD1-N 3.24Å; D247-S256 PolarHBondContact OD1-OG 3.47Å; D247-S256 PolarHBondContact OD2-N 3.24Å
248P97.7Very high98.3Very high135 Ų13553.1 Ų53.188%0.87731%0.31SS*.THydrogen-bonded Turntrans-57.4-25.9176.3-26.636000114.7G250P248-G250 VanDerWaalsContact C-N 3.29Å
249D97.6Very high98.3Very high126 Ų12654.9 Ų54.967%0.67432%0.319SS*.THydrogen-bonded Turntrans-85.73176.168.5-8.4000113.4D247 N251D247-D249 WeakPolarHBondContact CB-OD1 3.12Å; D247-D249 PolarHBondContact O-N 3.12Å; D247-D249 VanDerWaalsContact O-N 3.17Å; D249-N251 WeakPolarHBondContact OD1-CB 3.38Å; D249-N251 PolarHBondContact OD1-N 2.95Å
250G97.9Very high98.3Very high44 Ų4454 Ų5445%0.45431%0.31SS..  trans85.55.6-177.900000114.6D247 P248 P252D247-G250 PolarHBondContact O-N 3.36Å; P248-G250 VanDerWaalsContact C-N 3.29Å; G250-P252 WeakPolarHBondContact O-CD 3.49Å
251N98.2Very high98.2Very high44 Ų4452.4 Ų52.424%0.23531%0.308CS..  trans-64.3122179.7-165.4-38.5000111.4T246 D247 D249 K253 C254T246-N251 WeakPolarHBondContact CA-O 3.34Å; T246-N251 WeakPolarHBondContact CB-O 3.48Å; D247-N251 HydrophobicContact CB-CB 3.99Å; D247-N251 PolarHBondContact N-O 3.01Å; D249-N251 WeakPolarHBondContact OD1-CB 3.38Å; D249-N251 PolarHBondContact OD1-N 2.95Å; N251-K253 PolarHBondContact O-N 2.81Å; N251-K253 VanDerWaalsContact O-N 3.17Å; N251-K253 WeakPolarHBondContact OD1-CB 3.39Å; N251-K253 PolarHBondContact OD1-N 3.14Å; N251-K253 VanDerWaalsContact OD1-N 3.09Å; N251-C254 PolarHBondContact O-N 3.19Å
252P98.3Very high98.1Very high51 Ų5153.6 Ų53.633%0.33132%0.319SS..THydrogen-bonded Turntrans-70.6-12.7-175.329.3-37.1000114V239 E240 G250V239-P252 HydrophobicContact CB-CB 3.59Å; V239-P252 HydrophobicContact CG1-CB 3.65Å; V239-P252 HydrophobicContact CG2-CB 4.5Å; V239-P252 PolarHBondContact N-O 3.07Å; E240-P252 WeakPolarHBondContact CB-O 3.35Å; E240-P252 PolarHBondContact N-O 3.43Å; G250-P252 WeakPolarHBondContact O-CD 3.49Å
253K98.3Very high98.1Very high75 Ų7558.7 Ų58.733%0.32634%0.342SS..THydrogen-bonded Turntrans-86.9-11-176.5-70.2-168.4175-165.50113.7E240 N251 K255 Y260E240-K253 HydrophobicContact CB-CG 4.4Å; E240-K253 HydrophobicContact CG-CG 4.4Å; E240-K253 VanDerWaalsContact OE2-CE 3.3Å; E240-K253 WeakPolarHBondContact OE2-CE 3.26Å; N251-K253 PolarHBondContact O-N 2.81Å; N251-K253 VanDerWaalsContact O-N 3.17Å; N251-K253 WeakPolarHBondContact OD1-CB 3.39Å; N251-K253 PolarHBondContact OD1-N 3.14Å; N251-K253 VanDerWaalsContact OD1-N 3.09Å; K253-K255 VanDerWaalsContact C-N 3.29Å; K253-K255 HydrophobicContact CB-CG 3.96Å; K253-K255 PolarHBondContact O-N 2.77Å; K253-Y260 WeakPolarHBondContact CA-OH 3.36Å; K253-Y260 HydrophobicContact CB-CD2 4.48Å; K253-Y260 HydrophobicContact CB-CE1 4.45Å; K253-Y260 HydrophobicContact CB-CE2 3.64Å; K253-Y260 WeakPolarHBondContact CB-OH 3.45Å; K253-Y260 HydrophobicContact CD-CD1 4.48Å; K253-Y260 HydrophobicContact CD-CE1 4.19Å; K253-Y260 HydrophobicContact CD-CE2 4.43Å; K253-Y260 HydrophobicContact CG-CE1 4.42Å; K253-Y260 HydrophobicContact CG-CE2 4.41Å; K253-Y260 WeakPolarHBondContact O-CE2 3.24Å; K253-Y260 PolarHBondContact O-OH 3.17Å
254C98.4Very high98Very high1 Ų158.6 Ų58.61%0.00734%0.339CS..  trans51.746.5-175.5-61.30000112.6P238 M245 D247 N251 S256 K257 I258P238-C254 HydrophobicContact CB-CB 4.32Å; P238-C254 HydrophobicContact CG-CB 4.24Å; M245-C254 PolarHBondContact O-SG 3.45Å; D247-C254 VanDerWaalsContact CG-CA 3.47Å; D247-C254 VanDerWaalsContact OD1-CA 3.29Å; D247-C254 WeakPolarHBondContact OD1-CA 3.33Å; D247-C254 VanDerWaalsContact OD2-C 3.24Å; D247-C254 WeakPolarHBondContact OD2-CA 3.33Å; N251-C254 PolarHBondContact O-N 3.19Å; C254-S256 PolarHBondContact O-N 3.09Å; C254-K257 PolarHBondContact O-N 2.82Å; C254-I258 HydrophobicContact CB-CD1 4.4Å; C254-I258 PolarHBondContact O-N 3.15Å
255K97.7Very high98Very high121 Ų12156.7 Ų56.753%0.52633%0.327SS..THydrogen-bonded Turntrans-62.7-20-177.4-70.2-168.8175.8-171.60113.3D247 K253 K257 I258 Y260D247-K255 PolarHBondContact OD2-N 3.36Å; K253-K255 VanDerWaalsContact C-N 3.29Å; K253-K255 HydrophobicContact CB-CG 3.96Å; K253-K255 PolarHBondContact O-N 2.77Å; K255-K257 PolarHBondContact O-N 3.26Å; K255-I258 WeakPolarHBondContact CA-O 3.33Å; K255-Y260 HydrophobicContact CG-CD2 4.08Å; K255-Y260 HydrophobicContact CG-CE2 4.16Å
256S97.4Very high97.9Very high82 Ų8263.9 Ų63.957%0.57336%0.358SS*.THydrogen-bonded Turntrans-63.8-17171690000113.2D247 C254D247-S256 WeakPolarHBondContact OD1-CB 3.32Å; D247-S256 PolarHBondContact OD1-N 3.24Å; D247-S256 PolarHBondContact OD1-OG 3.47Å; D247-S256 PolarHBondContact OD2-N 3.24Å; C254-S256 PolarHBondContact O-N 3.09Å
257K97.8Very high97.8Very high107 Ų10768.5 Ų68.547%0.46538%0.375SS..THydrogen-bonded Turntrans-126.2-27.8-176-64.1179.3-175.6-178.60114G87 C89 C254 K255G87-K257 WeakPolarHBondContact CA-O 3.3Å; C89-K257 HydrophobicContact CB-CB 4.16Å; C89-K257 HydrophobicContact CB-CD 4.42Å; C254-K257 PolarHBondContact O-N 2.82Å; K255-K257 PolarHBondContact O-N 3.26Å
258I98.6Very high97.7Very high2 Ų270.1 Ų70.11%0.0138%0.381CS..  trans-118117.9-175.9-54.4174.8000109C89 Y100 I102 P238 Y241 C254 K255 Y260C89-I258 HydrophobicContact CB-CD1 3.75Å; C89-I258 HydrophobicContact CB-CG1 3.73Å; Y100-I258 HydrophobicContact CD1-CD1 4.22Å; Y100-I258 HydrophobicContact CD2-CD1 3.88Å; Y100-I258 HydrophobicContact CD2-CG1 4.35Å; Y100-I258 HydrophobicContact CE1-CD1 4.48Å; Y100-I258 HydrophobicContact CE2-CD1 4.2Å; Y100-I258 HydrophobicContact CG-CD1 3.92Å; Y100-I258 HydrophobicContact CG-CG1 4.5Å; I102-I258 HydrophobicContact CD1-CG2 4.16Å; I102-I258 HydrophobicContact CG1-CG2 4.05Å; P238-I258 HydrophobicContact CG-CD1 3.83Å; Y241-I258 HydrophobicContact CE2-CD1 4.46Å; C254-I258 HydrophobicContact CB-CD1 4.4Å; C254-I258 PolarHBondContact O-N 3.15Å; K255-I258 WeakPolarHBondContact CA-O 3.33Å; I258-Y260 HydrophobicContact CB-CE2 3.87Å; I258-Y260 HydrophobicContact CG2-CD2 4.24Å; I258-Y260 HydrophobicContact CG2-CE2 3.72Å; I258-Y260 VanDerWaalsContact O-CD2 3.26Å; I258-Y260 WeakPolarHBondContact O-CD2 3.48Å; I258-Y260 WeakPolarHBondContact O-CE2 3.24Å
259N98.3Very high97.7Very high37 Ų3767.2 Ų67.220%0.19835%0.353CS..BIsolated β-bridgetrans-79.5134.7170.5-170-57.5000109.8Q81 Q82 L84 S85 G86 G261Q81-N259 PolarHBondContact O-ND2 2.93Å; Q81-N259 VanDerWaalsContact O-ND2 3.15Å; Q82-N259 PolarHBondContact O-ND2 2.69Å; L84-N259 WeakPolarHBondContact O-CB 3.39Å; L84-N259 VanDerWaalsContact O-CG 3.31Å; S85-N259 CarbonylContact C-O 3.51Å; S85-N259 WeakPolarHBondContact CA-O 3.23Å; G86-N259 PolarHBondContact N-O 2.97Å; G86-N259 WeakPolarHBondContact O-CB 3.29Å; G86-N259 PolarHBondContact O-N 3.29Å; N259-G261 WeakPolarHBondContact OD1-CA 3.49Å; N259-G261 PolarHBondContact OD1-N 3.26Å
260Y98.3Very high97.5Very high38 Ų3866.1 Ų66.115%0.14935%0.35CS..  trans-10517.5-178.4-75.5-96.3000113.2I102 P105 K253 K255 I258I102-Y260 HydrophobicContact CG1-CD1 4.38Å; I102-Y260 HydrophobicContact CG2-CD1 4.2Å; P105-Y260 WeakPolarHBondContact CB-O 3.5Å; P105-Y260 WeakPolarHBondContact CG-O 3.26Å; K253-Y260 WeakPolarHBondContact CA-OH 3.36Å; K253-Y260 HydrophobicContact CB-CD2 4.48Å; K253-Y260 HydrophobicContact CB-CE1 4.45Å; K253-Y260 HydrophobicContact CB-CE2 3.64Å; K253-Y260 WeakPolarHBondContact CB-OH 3.45Å; K253-Y260 HydrophobicContact CD-CD1 4.48Å; K253-Y260 HydrophobicContact CD-CE1 4.19Å; K253-Y260 HydrophobicContact CD-CE2 4.43Å; K253-Y260 HydrophobicContact CG-CE1 4.42Å; K253-Y260 HydrophobicContact CG-CE2 4.41Å; K253-Y260 WeakPolarHBondContact O-CE2 3.24Å; K253-Y260 PolarHBondContact O-OH 3.17Å; K255-Y260 HydrophobicContact CG-CD2 4.08Å; K255-Y260 HydrophobicContact CG-CE2 4.16Å; I258-Y260 HydrophobicContact CB-CE2 3.87Å; I258-Y260 HydrophobicContact CG2-CD2 4.24Å; I258-Y260 HydrophobicContact CG2-CE2 3.72Å; I258-Y260 VanDerWaalsContact O-CD2 3.26Å; I258-Y260 WeakPolarHBondContact O-CD2 3.48Å; I258-Y260 WeakPolarHBondContact O-CE2 3.24Å
261G97.1Very high97.3Very high19 Ų1968.5 Ų68.520%0.19635%0.346CS..  trans61-142-178.700000113Y83 N259Y83-G261 WeakPolarHBondContact O-CA 3.49Å; N259-G261 WeakPolarHBondContact OD1-CA 3.49Å; N259-G261 PolarHBondContact OD1-N 3.26Å
262G97Very high96.7Very high24 Ų2470.8 Ų70.825%0.24736%0.358CS..BIsolated β-bridgetrans127.9163-174.300000111.6P105 I264P105-G262 PolarHBondContact O-N 3.25Å; G262-I264 PolarHBondContact O-N 3.01Å
263D97.6Very high96Very high130 Ų13071.4 Ų71.470%0.69536%0.357SS*.PPolyproline II helixtrans-67.3131.5176.9-62.1-30.4000110.2P265D263-P265 WeakPolarHBondContact O-CD 3.27Å
264I97.9Very high95.2Very high8 Ų869.7 Ų69.74%0.04135%0.352CS..PPolyproline II helixtrans-82.5128-175.5-70.8163.9000109.9V79 Y83 D107 G110 L111 G262 K266 Y268 Y269V79-I264 HydrophobicContact CG2-CD1 3.97Å; V79-I264 HydrophobicContact CG2-CG1 4.17Å; V79-I264 HydrophobicContact CG2-CG2 3.64Å; Y83-I264 HydrophobicContact CD1-CG1 3.87Å; Y83-I264 HydrophobicContact CD2-CG1 4.04Å; Y83-I264 HydrophobicContact CG-CD1 4.39Å; Y83-I264 HydrophobicContact CG-CG1 3.56Å; D107-I264 HydrophobicContact CB-CG1 4.49Å; D107-I264 PolarHBondContact OD2-N 3.42Å; G110-I264 VanDerWaalsContact C-CD1 3.44Å; L111-I264 HydrophobicContact CB-CD1 4.09Å; L111-I264 HydrophobicContact CD2-CD1 3.56Å; L111-I264 HydrophobicContact CG-CD1 3.48Å; L111-I264 VanDerWaalsContact CG-CD1 3.48Å; L111-I264 VanDerWaalsContact N-CD1 3.26Å; G262-I264 PolarHBondContact O-N 3.01Å; I264-K266 PolarHBondContact O-N 3.17Å; I264-Y268 HydrophobicContact CG2-CD2 4.08Å; I264-Y268 HydrophobicContact CG2-CG 4.36Å; I264-Y269 HydrophobicContact CB-CE1 4.23Å; I264-Y269 HydrophobicContact CG2-CD1 4.33Å; I264-Y269 HydrophobicContact CG2-CE1 3.91Å
265P97.8Very high94.3Very high46 Ų4679.5 Ų79.530%0.29940%0.395SS..PPolyproline II helixtrans-57.9133.1174.6-26.835.4000111.8Y83 D263 Q267 Y268Y83-P265 VanDerWaalsContact OH-CD 3.28Å; Y83-P265 WeakPolarHBondContact OH-CD 3.46Å; Y83-P265 WeakPolarHBondContact OH-CG 3.49Å; D263-P265 WeakPolarHBondContact O-CD 3.27Å; P265-Q267 HydrophobicContact CB-CG 4.03Å; P265-Q267 PolarHBondContact O-N 3.01Å; P265-Y268 HydrophobicContact CB-CD2 3.97Å; P265-Y268 HydrophobicContact CB-CE2 4.2Å; P265-Y268 HydrophobicContact CG-CD2 4.16Å; P265-Y268 HydrophobicContact CG-CE2 4.05Å; P265-Y268 PolarHBondContact O-N 3.37Å
266K95.8Very high93.3Very high177 Ų17775.9 Ų75.977%0.7738%0.38SS*.G310 helixtrans-56.3-21.1-177.9-66.5-173.1178.3-177.40114.3I264 Y268 Y269I264-K266 PolarHBondContact O-N 3.17Å; K266-Y268 PolarHBondContact O-N 2.98Å; K266-Y269 WeakPolarHBondContact O-CB 3.39Å; K266-Y269 PolarHBondContact O-N 2.68Å
267Q96.8Very high92.7Very high161 Ų16180.8 Ų80.875%0.75239%0.394SS*.G310 helixtrans-62.3-22.7174.873-171.22300113.5P265 Y269P265-Q267 HydrophobicContact CB-CG 4.03Å; P265-Q267 PolarHBondContact O-N 3.01Å; Q267-Y269 VanDerWaalsContact C-N 3.32Å
268Y97.1Very high92.3Very high44 Ų4478.3 Ų78.317%0.17338%0.382CS..G310 helixtrans-82-10.9175-68.9-74.3000112.9E78 V79 Q82 Y83 S114 I264 P265 K266 V270E78-Y268 HydrophobicContact CG-CE1 4.44Å; E78-Y268 PolarHBondContact OE1-OH 3.16Å; V79-Y268 HydrophobicContact CB-CD1 3.86Å; V79-Y268 HydrophobicContact CB-CE1 4.4Å; V79-Y268 HydrophobicContact CB-CG 4.06Å; V79-Y268 HydrophobicContact CG2-CD1 4.29Å; V79-Y268 HydrophobicContact CG2-CD2 4.38Å; V79-Y268 HydrophobicContact CG2-CG 3.96Å; Q82-Y268 PolarHBondContact OE1-OH 2.96Å; Y83-Y268 HydrophobicContact CE2-CD2 4.38Å; Y83-Y268 AromaticContact CE2-CE2 3.9Å; Y83-Y268 HydrophobicContact CE2-CE2 3.9Å; S114-Y268 VanDerWaalsContact CA-O 3.31Å; S114-Y268 WeakPolarHBondContact CA-O 3.48Å; S114-Y268 VanDerWaalsContact CB-O 3.25Å; S114-Y268 WeakPolarHBondContact CB-O 3.14Å; S114-Y268 PolarHBondContact OG-O 3.1Å; I264-Y268 HydrophobicContact CG2-CD2 4.08Å; I264-Y268 HydrophobicContact CG2-CG 4.36Å; P265-Y268 HydrophobicContact CB-CD2 3.97Å; P265-Y268 HydrophobicContact CB-CE2 4.2Å; P265-Y268 HydrophobicContact CG-CD2 4.16Å; P265-Y268 HydrophobicContact CG-CE2 4.05Å; P265-Y268 PolarHBondContact O-N 3.37Å; K266-Y268 PolarHBondContact O-N 2.98Å; Y268-V270 PolarHBondContact O-N 3.3Å
269Y97.1Very high92Very high75 Ų7584.3 Ų84.329%0.29441%0.41SS..  trans-73123.8-172.9-73.328.5000109.6G110 F113 S114 I264 K266 Q267G110-Y269 WeakPolarHBondContact CA-OH 3.22Å; F113-Y269 HydrophobicContact CB-CD2 3.87Å; F113-Y269 HydrophobicContact CB-CE2 4.08Å; F113-Y269 HydrophobicContact CB-CG 4.1Å; F113-Y269 AromaticContact CD2-CD2 3.76Å; F113-Y269 HydrophobicContact CD2-CD2 3.76Å; F113-Y269 AromaticContact CD2-CE2 3.62Å; F113-Y269 HydrophobicContact CD2-CE2 3.62Å; F113-Y269 HydrophobicContact CG-CD2 4.35Å; F113-Y269 HydrophobicContact CG-CE2 4.35Å; S114-Y269 VanDerWaalsContact OG-CD1 3.23Å; S114-Y269 WeakPolarHBondContact OG-CD1 3.37Å; I264-Y269 HydrophobicContact CB-CE1 4.23Å; I264-Y269 HydrophobicContact CG2-CD1 4.33Å; I264-Y269 HydrophobicContact CG2-CE1 3.91Å; K266-Y269 WeakPolarHBondContact O-CB 3.39Å; K266-Y269 PolarHBondContact O-N 2.68Å; Q267-Y269 VanDerWaalsContact C-N 3.32Å
270V95.1Very high91.9Very high102 Ų10286 Ų8662%0.61842%0.417SS*.SBendtrans-103.1-6.7176.2-61.20000112.4F113 Y268F113-V270 VanDerWaalsContact O-CG2 3.26Å; F113-V270 WeakPolarHBondContact O-CG2 3.02Å; F113-V270 PolarHBondContact O-N 2.76Å; Y268-V270 PolarHBondContact O-N 3.3Å
271R91.9Very high91.7Very high94 Ų9487.4 Ų87.436%0.35543%0.431SS..  trans-152.1156.3174.464.3-171.573.5116.23.6110.5L112 F113 A115 Q273L112-R271 PolarHBondContact O-NH1 3.38Å; F113-R271 HydrophobicContact CB-CG 4.43Å; F113-R271 WeakPolarHBondContact CB-O 3.17Å; F113-R271 HydrophobicContact CD1-CG 4.38Å; F113-R271 PolarHBondContact O-N 3.04Å; A115-R271 PolarHBondContact O-NH1 3.14Å; R271-Q273 WeakPolarHBondContact CD-O 3.43Å
272D86.2Confident91.6Very high93 Ų9387.9 Ų87.950%0.49743%0.431SS..SBendtrans-102-11.7177.558-5.8000113.2F113F113-D272 WeakPolarHBondContact CE2-O 3.23Å; F113-D272 WeakPolarHBondContact CZ-O 3.45Å
273Q84.4Confident91.5Very high64 Ų6493.9 Ų93.930%0.29945%0.452SS..  trans-150.6160.6178.666.8-170.6-55.600112.2R271 M346 V347 P348R271-Q273 WeakPolarHBondContact CD-O 3.43Å; Q273-M346 PolarHBondContact NE2-O 3.43Å; Q273-V347 HydrophobicContact CB-CG1 4.38Å; Q273-P348 VanDerWaalsContact OE1-CD 3.22Å
274V81.7Confident91.3Very high38 Ų3888 Ų8823%0.2342%0.42CS..  trans-110132.5169.5177.40000107.6F113 W164 P166 Q276F113-V274 HydrophobicContact CD1-CG2 4.17Å; F113-V274 HydrophobicContact CE1-CG2 4.02Å; W164-V274 HydrophobicContact CH2-CB 4.5Å; W164-V274 HydrophobicContact CH2-CG2 3.92Å; W164-V274 HydrophobicContact CZ2-CG2 4.49Å; P166-V274 HydrophobicContact CB-CG1 4.46Å; V274-Q276 PolarHBondContact O-N 3.17Å; V274-Q276 PolarHBondContact O-OE1 3.09Å
275K78.3Confident91Very high207 Ų20791 Ų9190%0.944%0.443SS*.  trans-59.1128.1178.3-74-175.7178.4-179.90110.2
276Q77.3Confident90.6Very high45 Ų4596.9 Ų96.921%0.2146%0.459CS..  trans-132.7152.6179.9-76.6159.2-49.700111.2P166 V274 Q306P166-Q276 HydrophobicContact CG-CG 4.45Å; V274-Q276 PolarHBondContact O-N 3.17Å; V274-Q276 PolarHBondContact O-OE1 3.09Å; Q276-Q306 VanDerWaalsContact CD-CD 3.48Å; Q276-Q306 VanDerWaalsContact CD-NE2 3.27Å
277Q84.3Confident90.3Very high186 Ų18692.1 Ų92.187%0.86945%0.452SS*.  trans-100.6140.8171.9-64.8-176.1-2.800109
278Y90.3Very high90Very high54 Ų5486.9 Ų86.921%0.21243%0.434CS..  trans-105.5140.4178.8-60.3-77.3000110.2Q306 M308 P348 T380Y278-Q306 HydrophobicContact CE1-CB 4.45Å; Y278-Q306 HydrophobicContact CE1-CG 4.03Å; Y278-M308 HydrophobicContact CE2-CB 4.05Å; Y278-M308 WeakPolarHBondContact OH-CB 3.46Å; Y278-P348 VanDerWaalsContact OH-CB 3.31Å; Y278-P348 WeakPolarHBondContact OH-CB 3.12Å; Y278-P348 WeakPolarHBondContact OH-CG 2.73Å; Y278-T380 WeakPolarHBondContact CA-OG1 3.42Å
279E92.4Very high89.8Confident129 Ų12985.6 Ų85.660%0.60343%0.431SS*.SBendtrans-73.1-35.8-179.9-172.3176.9179.600111.9F379 T380E279-F379 PolarHBondContact N-O 3.17Å; E279-T380 HydrophobicContact CB-CG2 4.25Å; E279-T380 PolarHBondContact N-OG1 3.34Å
280H94.6Very high89.7Confident73 Ų7385 Ų8534%0.33843%0.431SS..EExtended strand (participates in β ladder)trans-123.7150.3-177.4-56.5-52.7000111.4S378 F379H280-S378 CarbonylContact O-C 3.53Å; H280-S378 VanDerWaalsContact O-CA 3.24Å; H280-S378 WeakPolarHBondContact O-CA 3.48Å; H280-F379 HydrophobicContact CB-CD1 4.22Å; H280-F379 HydrophobicContact CB-CD2 4.42Å; H280-F379 HydrophobicContact CB-CE1 3.85Å; H280-F379 HydrophobicContact CB-CE2 4.08Å; H280-F379 HydrophobicContact CB-CG 4.49Å; H280-F379 HydrophobicContact CB-CZ 3.78Å; H280-F379 AromaticContact CD2-CE2 3.7Å; H280-F379 PolarHBondContact N-O 2.82Å; H280-F379 PolarHBondContact O-N 3.2Å
281S95.5Very high89.6Confident66 Ų6681.6 Ų81.646%0.46241%0.408SS..EExtended strand (participates in β ladder)trans-141119.6170.2159.80000108.6K376 V377S281-K376 WeakPolarHBondContact OG-CE 3.47Å; S281-V377 WeakPolarHBondContact CA-O 3.41Å
282V95.4Very high89.8Confident30 Ų3078.3 Ų78.318%0.18240%0.399CS..EExtended strand (participates in β ladder)trans-124.7144.9-175.8-60.90000110.9I284 H290 K376 V377 F379V282-I284 HydrophobicContact CG2-CD1 4.45Å; V282-I284 HydrophobicContact CG2-CG1 4.08Å; V282-H290 HydrophobicContact CG2-CB 4.38Å; V282-K376 CarbonylContact O-C 3.59Å; V282-K376 WeakPolarHBondContact O-CA 3.43Å; V282-V377 HydrophobicContact CG2-CB 4.32Å; V282-V377 PolarHBondContact N-O 2.8Å; V282-V377 PolarHBondContact O-N 3.28Å; V282-F379 HydrophobicContact CG1-CE1 4.03Å; V282-F379 HydrophobicContact CG2-CD1 4.41Å; V282-F379 HydrophobicContact CG2-CE1 3.86Å
283Q94.1Very high90.1Very high150 Ų15077.9 Ų77.970%0.70139%0.394SS*.EExtended strand (participates in β ladder)trans-93.9120.8165.3-81.3-147.7-0.400110.5K375 K376Q283-K375 CarbonylContact C-O 3.59Å; Q283-K375 WeakPolarHBondContact CA-O 3.48Å; Q283-K376 HydrophobicContact CG-CB 4.36Å
284I93.6Very high90.6Very high5 Ų577.4 Ų77.43%0.02639%0.39CS..EExtended strand (participates in β ladder)trans-100.1109.5175.4-46.4-176.2000107.7V282 S288 H290 F365 N367 A374 K375 V377V282-I284 HydrophobicContact CG2-CD1 4.45Å; V282-I284 HydrophobicContact CG2-CG1 4.08Å; I284-S288 WeakPolarHBondContact CG2-O 3.43Å; I284-H290 HydrophobicContact CD1-CB 3.76Å; I284-H290 HydrophobicContact CG1-CB 3.92Å; I284-F365 HydrophobicContact CD1-CB 3.44Å; I284-F365 VanDerWaalsContact CD1-CB 3.44Å; I284-F365 HydrophobicContact CD1-CG 4.45Å; I284-N367 HydrophobicContact CB-CB 4.13Å; I284-N367 HydrophobicContact CG2-CB 3.61Å; I284-N367 PolarHBondContact O-ND2 2.88Å; I284-A374 CarbonylContact O-C 3.51Å; I284-A374 VanDerWaalsContact O-CA 3.27Å; I284-A374 WeakPolarHBondContact O-CA 3.29Å; I284-K375 PolarHBondContact N-O 2.98Å; I284-K375 PolarHBondContact O-N 2.89Å; I284-V377 HydrophobicContact CD1-CB 4.35Å; I284-V377 HydrophobicContact CD1-CG2 3.75Å; I284-V377 HydrophobicContact CG1-CG2 4.29Å
285S91.9Very high91.1Very high73 Ų7382.2 Ų82.251%0.5141%0.41SS..  trans-56.9159.1175.6-71.60000111.7S288 N367S285-S288 WeakPolarHBondContact O-CB 3.36Å; S285-S288 PolarHBondContact O-N 2.98Å; S285-N367 PolarHBondContact O-ND2 2.81Å
286R89Confident91.7Very high168 Ų16872.7 Ų72.763%0.63437%0.368SS*.THydrogen-bonded Turntrans-54.6150.8171.571.6178.8-175.5177.50.1110.8S288R286-S288 PolarHBondContact O-N 3.19Å; R286-S288 VanDerWaalsContact O-N 3.08Å
287A88.4Confident92.2Very high77 Ų7775.7 Ų75.764%0.63639%0.385SS*.THydrogen-bonded Turntrans56.323.217800000113.9N367A287-N367 PolarHBondContact N-O 2.91Å
288S91.4Very high92.2Very high52 Ų5273.3 Ų73.336%0.36437%0.372SS..  trans-132.3170.8-174.4-166.40000111.7I284 S285 R286 N367I284-S288 WeakPolarHBondContact CG2-O 3.43Å; S285-S288 WeakPolarHBondContact O-CB 3.36Å; S285-S288 PolarHBondContact O-N 2.98Å; R286-S288 PolarHBondContact O-N 3.19Å; R286-S288 VanDerWaalsContact O-N 3.08Å; S288-N367 CarbonylContact O-C 3.58Å; S288-N367 WeakPolarHBondContact O-CA 3.28Å; S288-N367 PolarHBondContact O-N 2.8Å
289S93Very high92Very high17 Ų1773.9 Ų73.912%0.11938%0.383CS..EExtended strand (participates in β ladder)trans-141.5146.8177.461.90000111.1R364 F365S289-R364 PolarHBondContact OG-NE 2.87Å; S289-R364 VanDerWaalsContact OG-NE 3.15Å; S289-R364 PolarHBondContact OG-NH2 2.87Å; S289-F365 CarbonylContact C-O 3.52Å; S289-F365 WeakPolarHBondContact CA-O 3.32Å; S289-F365 VanDerWaalsContact CB-O 3.22Å; S289-F365 WeakPolarHBondContact CB-O 3.38Å
290H94.6Very high91.7Very high62 Ų6269.1 Ų69.129%0.28737%0.368SS..EExtended strand (participates in β ladder)trans-105.8146169.7-174.574.7000109.5V282 I284 R364 F365 F379V282-H290 HydrophobicContact CG2-CB 4.38Å; I284-H290 HydrophobicContact CD1-CB 3.76Å; I284-H290 HydrophobicContact CG1-CB 3.92Å; H290-R364 CarbonylContact O-C 3.48Å; H290-R364 WeakPolarHBondContact O-CA 3.47Å; H290-F365 PolarHBondContact N-O 3.1Å; H290-F365 PolarHBondContact O-N 3Å; H290-F379 AromaticContact NE2-CZ 3.9Å
291Q94Very high91.5Very high30 Ų3065.9 Ų65.914%0.1435%0.354CS..EExtended strand (participates in β ladder)trans-140.9145178.372.4-166.965.100110.4E293 V362 L363 R364Q291-E293 PolarHBondContact NE2-OE1 3.31Å; Q291-V362 HydrophobicContact CB-CG1 3.79Å; Q291-V362 HydrophobicContact CG-CG1 4.23Å; Q291-L363 VanDerWaalsContact CA-O 3.28Å; Q291-L363 WeakPolarHBondContact CA-O 3.34Å; Q291-R364 HydrophobicContact CB-CB 4.47Å; Q291-R364 HydrophobicContact CB-CG 4.44Å
292V94.6Very high91.5Very high26 Ų2662.7 Ų62.716%0.15833%0.332CS..EExtended strand (participates in β ladder)trans-120.1145.2168.8-66.10000108.8Y294 V362 L363 F379 V381V292-Y294 HydrophobicContact CB-CE2 4.18Å; V292-Y294 HydrophobicContact CG2-CD2 4.5Å; V292-Y294 HydrophobicContact CG2-CE2 3.86Å; V292-V362 WeakPolarHBondContact O-CA 3.38Å; V292-L363 HydrophobicContact CG2-CB 3.84Å; V292-L363 HydrophobicContact CG2-CD1 4.26Å; V292-L363 PolarHBondContact N-O 2.94Å; V292-L363 PolarHBondContact O-N 2.64Å; V292-F379 HydrophobicContact CG1-CE2 3.91Å; V292-F379 HydrophobicContact CG1-CZ 3.79Å; V292-F379 HydrophobicContact CG2-CE2 4.35Å; V292-V381 HydrophobicContact CG2-CG2 4.4Å
293E94.1Very high91.5Very high83 Ų8361.3 Ų61.339%0.38832%0.323SS..EExtended strand (participates in β ladder)trans-122131.9-172.2-54.1-169.6172.400109.6Q291 K321 I360 Y361 V362Q291-E293 PolarHBondContact NE2-OE1 3.31Å; E293-K321 VanDerWaalsContact CD-CE 3.42Å; E293-K321 WeakPolarHBondContact OE1-CE 3.33Å; E293-K321 IonicContact OE1-NZ 3.82Å; E293-K321 PolarHBondContact OE1-NZ 3.05Å; E293-K321 WeakPolarHBondContact OE2-CE 3.31Å; E293-K321 IonicContact OE2-NZ 3.82Å; E293-K321 PolarHBondContact OE2-NZ 3Å; E293-I360 HydrophobicContact CB-CG2 3.87Å; E293-Y361 CarbonylContact C-O 3.53Å; E293-Y361 WeakPolarHBondContact CA-O 3.47Å; E293-V362 HydrophobicContact CG-CG1 4.42Å; E293-V362 HydrophobicContact CG-CG2 4.12Å
294Y93.4Very high91.6Very high54 Ų5455.1 Ų55.121%0.21229%0.293CS..EExtended strand (participates in β ladder)trans-124.5116.2177.9-72.4-94000109.3V292 I296 L303 I360 Y361 L363 V381 V383V292-Y294 HydrophobicContact CB-CE2 4.18Å; V292-Y294 HydrophobicContact CG2-CD2 4.5Å; V292-Y294 HydrophobicContact CG2-CE2 3.86Å; Y294-I296 PolarHBondContact O-N 2.98Å; Y294-L303 HydrophobicContact CD2-CD2 4.46Å; Y294-L303 HydrophobicContact CG-CD2 4.27Å; Y294-I360 WeakPolarHBondContact O-CA 3.17Å; Y294-Y361 PolarHBondContact N-O 3.11Å; Y294-Y361 PolarHBondContact O-N 2.87Å; Y294-L363 HydrophobicContact CD2-CD1 3.65Å; Y294-L363 HydrophobicContact CE2-CD1 4.07Å; Y294-V381 HydrophobicContact CD2-CG1 4.14Å; Y294-V381 HydrophobicContact CE1-CG1 4.47Å; Y294-V381 HydrophobicContact CE2-CB 3.91Å; Y294-V381 HydrophobicContact CE2-CG1 3.46Å; Y294-V381 VanDerWaalsContact CE2-CG1 3.46Å; Y294-V381 WeakPolarHBondContact OH-CB 3.22Å; Y294-V381 PolarHBondContact OH-O 3.24Å; Y294-V381 VanDerWaalsContact OH-O 3.12Å; Y294-V383 HydrophobicContact CD1-CG2 3.43Å; Y294-V383 VanDerWaalsContact CD1-CG2 3.43Å; Y294-V383 HydrophobicContact CE1-CG2 4.02Å; Y294-V383 HydrophobicContact CG-CG2 4.07Å
295E92.9Very high91.7Very high140 Ų14055.9 Ų55.965%0.65430%0.296SS*.EExtended strand (participates in β ladder)trans-79.7113174.1-173.9175.4-157.400109.9L297 I360E295-L297 HydrophobicContact CG-CD2 3.93Å; E295-I360 HydrophobicContact CB-CG1 4.41Å; E295-I360 HydrophobicContact CG-CG1 4.37Å
296I91.8Very high91.8Very high6 Ų653.2 Ų53.23%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-102.2111.2179.1-58.4-55.7000108.7Y294 F298 C301 C355 P358 G359 Y361 V383Y294-I296 PolarHBondContact O-N 2.98Å; I296-F298 WeakPolarHBondContact CG2-O 3.15Å; I296-C301 WeakPolarHBondContact CG2-SG 3.22Å; I296-C355 HydrophobicContact CG1-CB 4.44Å; I296-C355 HydrophobicContact CG2-CB 3.99Å; I296-P358 CarbonylContact O-C 3.51Å; I296-P358 WeakPolarHBondContact O-CA 3.42Å; I296-P358 WeakPolarHBondContact O-CB 3.41Å; I296-G359 PolarHBondContact N-O 2.88Å; I296-G359 PolarHBondContact O-N 2.88Å; I296-Y361 HydrophobicContact CB-CD2 3.96Å; I296-Y361 HydrophobicContact CB-CE2 3.91Å; I296-Y361 HydrophobicContact CG1-CD2 3.45Å; I296-Y361 VanDerWaalsContact CG1-CD2 3.45Å; I296-Y361 HydrophobicContact CG1-CE2 3.8Å; I296-Y361 HydrophobicContact CG1-CG 4.36Å; I296-Y361 HydrophobicContact CG2-CE2 4.42Å; I296-V383 HydrophobicContact CD1-CG1 3.85Å; I296-V383 HydrophobicContact CD1-CG2 4.04Å
297L87Confident92.1Very high108 Ų10845.2 Ų45.257%0.56525%0.245SC*.  trans-89.6-26.8-179.8-59.1178.6000112.9E295E295-L297 HydrophobicContact CG-CD2 3.93Å
298F83.9Confident92.3Very high136 Ų13643.7 Ų43.760%0.59623%0.225SC*.SBendtrans-125.8124.8-173.6-55.2-74.1000110.4I296 C301I296-F298 WeakPolarHBondContact CG2-O 3.15Å; F298-C301 PolarHBondContact O-SG 2.8Å
299P86.9Confident92.2Very high67 Ų6741.4 Ų41.444%0.43521%0.209SC..THydrogen-bonded Turntrans-58.9156.9173.2-25.136.6000112.7C355 S356 P358P299-C355 WeakPolarHBondContact CA-O 3.5Å; P299-S356 WeakPolarHBondContact CB-O 3.39Å; P299-P358 HydrophobicContact CG-CG 3.9Å
300G85.6Confident92Very high29 Ų2945.7 Ų45.730%0.29923%0.228SC..THydrogen-bonded Turntrans91.8-5.9172.500000115.1V200 C355V200-G300 WeakPolarHBondContact CG2-O 3.3Å; G300-C355 PolarHBondContact N-O 2.93Å
301C91.1Very high91.1Very high4 Ų446.1 Ų46.13%0.02725%0.249CC..  trans-71.1161.2165.550.30000111.5I296 F298 C355 V383 L384 L385I296-C301 WeakPolarHBondContact CG2-SG 3.22Å; F298-C301 PolarHBondContact O-SG 2.8Å; C301-C355 PolarHBondContact O-N 2.85Å; C301-V383 HydrophobicContact CB-CG1 4.13Å; C301-L384 VanDerWaalsContact CA-O 3.31Å; C301-L384 WeakPolarHBondContact CA-O 3.32Å; C301-L384 WeakPolarHBondContact CB-O 3.41Å; C301-L385 HydrophobicContact CB-CD2 4.03Å
302V94.6Very high90.4Very high0 Ų046.4 Ų46.40%025%0.254CS..EExtended strand (participates in β ladder)trans-118.1122.8-178.4174.40000109.4L160 L163 L197 V200 T352 L353 L384L160-V302 HydrophobicContact CD2-CG1 3.88Å; L160-V302 HydrophobicContact CD2-CG2 4.07Å; L163-V302 HydrophobicContact CD1-CB 4.49Å; L163-V302 HydrophobicContact CD1-CG1 4.17Å; L163-V302 HydrophobicContact CD1-CG2 4.28Å; L197-V302 HydrophobicContact CD1-CG2 3.69Å; V200-V302 HydrophobicContact CG1-CB 4.25Å; V200-V302 HydrophobicContact CG1-CG2 4.02Å; V200-V302 HydrophobicContact CG2-CG2 4.29Å; V302-T352 HydrophobicContact CG1-CG2 4.21Å; V302-L353 CarbonylContact C-O 3.43Å; V302-L353 WeakPolarHBondContact CA-O 3.17Å; V302-L384 HydrophobicContact CB-CB 4.21Å; V302-L384 HydrophobicContact CB-CD1 4.37Å; V302-L384 HydrophobicContact CB-CG 4.5Å; V302-L384 HydrophobicContact CG1-CD1 4.23Å; V302-L384 PolarHBondContact N-O 2.75Å; V302-L384 PolarHBondContact O-N 3.38Å
303L95.6Very high89.9Confident0 Ų047.5 Ų47.50%026%0.259CS..EExtended strand (participates in β ladder)trans-74.6127.3162.3-78.9166.9000108.4Y294 W305 T352 L353 C355 Y361 L363 V381 V383Y294-L303 HydrophobicContact CD2-CD2 4.46Å; Y294-L303 HydrophobicContact CG-CD2 4.27Å; L303-W305 HydrophobicContact CB-CE3 4.45Å; L303-W305 HydrophobicContact CB-CZ3 4.42Å; L303-T352 CarbonylContact O-C 3.6Å; L303-T352 WeakPolarHBondContact O-CA 3.47Å; L303-L353 PolarHBondContact N-O 2.99Å; L303-L353 PolarHBondContact O-N 2.78Å; L303-C355 VanDerWaalsContact CD1-SG 3.59Å; L303-Y361 HydrophobicContact CD1-CD1 3.75Å; L303-Y361 HydrophobicContact CD1-CG 3.79Å; L303-L363 HydrophobicContact CD1-CD1 4.45Å; L303-L363 HydrophobicContact CD2-CD1 4.35Å; L303-V381 HydrophobicContact CD2-CG1 4.21Å; L303-V383 HydrophobicContact CD2-CG2 3.76Å
304R95.9Very high89.8Confident20 Ų2043.6 Ų43.68%0.07524%0.24CC..EExtended strand (participates in β ladder)trans-118.7131.7170.6179.8171.572.6-171.41.3108.3L163 G351 T352 V381 E382 L384L163-R304 VanDerWaalsContact O-CD 3.27Å; L163-R304 WeakPolarHBondContact O-CD 3.42Å; L163-R304 PolarHBondContact O-NH1 2.94Å; R304-G351 WeakPolarHBondContact CA-O 3.41Å; R304-T352 HydrophobicContact CB-CG2 3.87Å; R304-T352 HydrophobicContact CG-CG2 3.78Å; R304-V381 CarbonylContact O-C 3.6Å; R304-V381 WeakPolarHBondContact O-CA 3.26Å; R304-E382 IonicContact CZ-OE2 3.61Å; R304-E382 PolarHBondContact N-O 2.89Å; R304-E382 IonicContact NE-OE2 2.64Å; R304-E382 PolarHBondContact NE-OE2 2.82Å; R304-E382 IonicContact NH2-OE1 3.6Å; R304-E382 PolarHBondContact NH2-OE1 3.41Å; R304-E382 IonicContact NH2-OE2 2.67Å; R304-E382 PolarHBondContact NH2-OE2 2.92Å; R304-E382 PolarHBondContact O-N 2.89Å; R304-L384 HydrophobicContact CB-CD1 3.94Å; R304-L384 HydrophobicContact CB-CD2 4.45Å; R304-L384 HydrophobicContact CB-CG 4.2Å
305W95.7Very high89.9Confident22 Ų2241.1 Ų41.18%0.08323%0.231CC..EExtended strand (participates in β ladder)trans-133.3157.517663.688.9000111.2L303 F307 F316 I318 L337 D350 G351 T352 L353 L363 T380 V381L303-W305 HydrophobicContact CB-CE3 4.45Å; L303-W305 HydrophobicContact CB-CZ3 4.42Å; W305-F307 AromaticContact CD1-CD1 3.96Å; W305-F316 AromaticContact CD1-CE1 3.77Å; W305-F316 AromaticContact CD1-CZ 3.59Å; W305-F316 HydrophobicContact CD2-CE1 4.17Å; W305-F316 AromaticContact CD2-CZ 3.92Å; W305-F316 HydrophobicContact CD2-CZ 3.92Å; W305-F316 AromaticContact CE2-CE1 3.55Å; W305-F316 AromaticContact CE2-CZ 3.8Å; W305-F316 HydrophobicContact CG-CE1 4.28Å; W305-F316 AromaticContact CG-CZ 3.78Å; W305-F316 HydrophobicContact CG-CZ 3.78Å; W305-F316 HydrophobicContact CZ2-CE1 4.01Å; W305-F316 AromaticContact NE1-CE1 3.28Å; W305-F316 VanDerWaalsContact NE1-CE1 3.28Å; W305-F316 AromaticContact NE1-CZ 3.58Å; W305-I318 HydrophobicContact CD2-CD1 4.18Å; W305-I318 HydrophobicContact CE3-CD1 3.7Å; W305-I318 HydrophobicContact CH2-CD1 3.46Å; W305-I318 VanDerWaalsContact CH2-CD1 3.46Å; W305-I318 HydrophobicContact CZ2-CD1 3.95Å; W305-I318 HydrophobicContact CZ3-CD1 3.32Å; W305-L337 HydrophobicContact CH2-CD2 4.14Å; W305-L337 HydrophobicContact CZ2-CD2 3.74Å; W305-D350 WeakPolarHBondContact O-CA 3.47Å; W305-G351 VanDerWaalsContact CE2-CA 3.47Å; W305-G351 PolarHBondContact N-O 2.87Å; W305-G351 PolarHBondContact O-N 2.9Å; W305-T352 VanDerWaalsContact CZ3-C 3.49Å; W305-L353 HydrophobicContact CH2-CB 3.9Å; W305-L353 HydrophobicContact CZ3-CB 3.65Å; W305-L363 HydrophobicContact CB-CD2 4.1Å; W305-L363 HydrophobicContact CD2-CD2 4.48Å; W305-L363 HydrophobicContact CE3-CD2 4.33Å; W305-L363 HydrophobicContact CG-CD2 4.42Å; W305-T380 CarbonylContact C-O 3.51Å; W305-T380 VanDerWaalsContact CA-O 3.31Å; W305-T380 WeakPolarHBondContact CA-O 3.23Å; W305-V381 HydrophobicContact CB-CG2 3.94Å
306Q94.3Very high90Very high16 Ų1634.4 Ų34.48%0.07520%0.2CC..EExtended strand (participates in β ladder)trans-148.6142.9165.5-167.4172.836.700110.4Q276 Y278 P348 E349 D350 F379 T380Q276-Q306 VanDerWaalsContact CD-CD 3.48Å; Q276-Q306 VanDerWaalsContact CD-NE2 3.27Å; Y278-Q306 HydrophobicContact CE1-CB 4.45Å; Y278-Q306 HydrophobicContact CE1-CG 4.03Å; Q306-P348 HydrophobicContact CG-CB 4.19Å; Q306-E349 CarbonylContact C-O 3.21Å; Q306-E349 WeakPolarHBondContact CA-O 3.47Å; Q306-E349 VanDerWaalsContact CG-O 3.26Å; Q306-E349 WeakPolarHBondContact CG-O 3.49Å; Q306-D350 HydrophobicContact CB-CB 4.28Å; Q306-D350 HydrophobicContact CG-CB 3.91Å; Q306-F379 CarbonylContact O-C 3.37Å; Q306-F379 WeakPolarHBondContact O-CA 3.38Å; Q306-F379 WeakPolarHBondContact O-CB 3.36Å; Q306-T380 PolarHBondContact N-O 3.01Å; Q306-T380 PolarHBondContact O-N 2.96Å
307F94.3Very high90.2Very high1 Ų134.1 Ų34.10%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-151.5160.5176.665.5-89.6000113.5W305 V314 F316 Y342 P348 E349 F365 V377 S378 F379W305-F307 AromaticContact CD1-CD1 3.96Å; F307-V314 HydrophobicContact CD2-CG1 3.86Å; F307-V314 HydrophobicContact CE2-CG1 3.48Å; F307-V314 VanDerWaalsContact CE2-CG1 3.48Å; F307-F316 HydrophobicContact CD1-CD2 4.34Å; F307-F316 HydrophobicContact CD1-CE2 4.5Å; F307-F316 HydrophobicContact CD1-CG 4.46Å; F307-F316 HydrophobicContact CE1-CB 4Å; F307-F316 AromaticContact CE1-CD1 3.77Å; F307-F316 HydrophobicContact CE1-CD1 3.77Å; F307-F316 AromaticContact CE1-CD2 3.91Å; F307-F316 HydrophobicContact CE1-CD2 3.91Å; F307-F316 HydrophobicContact CE1-CE1 4.19Å; F307-F316 HydrophobicContact CE1-CE2 4.3Å; F307-F316 AromaticContact CE1-CG 3.61Å; F307-F316 HydrophobicContact CE1-CG 3.61Å; F307-F316 HydrophobicContact CE1-CZ 4.42Å; F307-F316 HydrophobicContact CE2-CB 4.39Å; F307-F316 HydrophobicContact CZ-CB 3.65Å; F307-F316 HydrophobicContact CZ-CD1 4.17Å; F307-F316 HydrophobicContact CZ-CD2 4.38Å; F307-F316 AromaticContact CZ-CG 3.81Å; F307-F316 HydrophobicContact CZ-CG 3.81Å; F307-Y342 HydrophobicContact CZ-CD2 4.07Å; F307-Y342 HydrophobicContact CZ-CG 4.05Å; F307-P348 WeakPolarHBondContact O-CA 3.34Å; F307-E349 HydrophobicContact CD1-CB 4.16Å; F307-E349 HydrophobicContact CD2-CB 4.3Å; F307-E349 HydrophobicContact CE1-CB 3.67Å; F307-E349 HydrophobicContact CE2-CB 3.82Å; F307-E349 HydrophobicContact CE2-CG 4.04Å; F307-E349 HydrophobicContact CG-CB 4.45Å; F307-E349 HydrophobicContact CZ-CB 3.48Å; F307-E349 VanDerWaalsContact CZ-CB 3.48Å; F307-E349 HydrophobicContact CZ-CG 3.94Å; F307-E349 PolarHBondContact N-O 3.15Å; F307-E349 PolarHBondContact O-N 2.9Å; F307-F365 HydrophobicContact CB-CE1 3.72Å; F307-F365 HydrophobicContact CB-CZ 4.02Å; F307-F365 AromaticContact CD1-CE1 3.69Å; F307-F365 HydrophobicContact CD1-CE1 3.69Å; F307-F365 HydrophobicContact CD1-CZ 4.27Å; F307-F365 HydrophobicContact CD2-CD1 4.49Å; F307-F365 AromaticContact CD2-CE1 3.91Å; F307-F365 HydrophobicContact CD2-CE1 3.91Å; F307-F365 HydrophobicContact CE1-CE1 4.24Å; F307-F365 HydrophobicContact CE2-CE1 4.44Å; F307-F365 HydrophobicContact CG-CD1 4.48Å; F307-F365 AromaticContact CG-CE1 3.5Å; F307-F365 HydrophobicContact CG-CE1 3.5Å; F307-F365 HydrophobicContact CG-CZ 4.2Å; F307-V377 HydrophobicContact CB-CG1 4.36Å; F307-S378 CarbonylContact C-O 3.52Å; F307-S378 WeakPolarHBondContact CA-O 3.46Å; F307-S378 WeakPolarHBondContact CB-O 2.95Å; F307-F379 HydrophobicContact CB-CB 3.6Å
308M92.9Very high90.7Very high45 Ų4529 Ų2922%0.22217%0.172CC..EExtended strand (participates in β ladder)trans-142.8139.3173.7169.5170.2-8000108.9Y278 S344 P348 V377 S378Y278-M308 HydrophobicContact CE2-CB 4.05Å; Y278-M308 WeakPolarHBondContact OH-CB 3.46Å; M308-S344 WeakPolarHBondContact CA-O 3.31Å; M308-S344 VanDerWaalsContact CG-O 3.26Å; M308-S344 WeakPolarHBondContact CG-O 3.16Å; M308-P348 HydrophobicContact CE-CB 4.26Å; M308-P348 HydrophobicContact CE-CG 3.48Å; M308-P348 VanDerWaalsContact CE-CG 3.48Å; M308-V377 WeakPolarHBondContact O-CA 3.48Å; M308-S378 PolarHBondContact N-O 3.49Å; M308-S378 PolarHBondContact O-N 3.45Å
309S91Very high91.2Very high3 Ų322.6 Ų22.62%0.02114%0.144CC..EExtended strand (participates in β ladder)trans-108.5148.717558.30000111.3S312 S344 H345 K376S309-S312 PolarHBondContact OG-O 3.28Å; S309-S344 PolarHBondContact N-O 2.74Å; S309-S344 PolarHBondContact N-OG 3.33Å; S309-S344 PolarHBondContact OG-OG 3.41Å; S309-H345 WeakPolarHBondContact O-CA 2.92Å; S309-H345 WeakPolarHBondContact O-CB 3.48Å; S309-K376 WeakPolarHBondContact CA-O 3.06Å
310E87.5Confident91.6Very high108 Ų10820.2 Ų20.251%0.50513%0.127SC..SBendtrans-83.7123.7172.6-69.2179.1-169.500110.8S312 K376E310-S312 VanDerWaalsContact C-N 3.32Å; E310-S312 PolarHBondContact O-N 2.91Å; E310-S312 VanDerWaalsContact O-N 3.1Å; E310-K376 HydrophobicContact CB-CB 4.34Å; E310-K376 HydrophobicContact CG-CB 4.27Å; E310-K376 PolarHBondContact N-O 3.2Å; E310-K376 WeakPolarHBondContact OE1-CD 3.36Å; E310-K376 WeakPolarHBondContact OE1-CE 3.35Å; E310-K376 IonicContact OE1-NZ 2.77Å; E310-K376 PolarHBondContact OE1-NZ 3.3Å
311G75.9Confident91.9Very high71 Ų7120 Ų2073%0.73212%0.118SC*.SBendtrans75.7-11.2161.700000118.6
312S79.4Confident91.5Very high35 Ų3523.6 Ų23.625%0.24514%0.14CC..SBendtrans-160.7168.4177.748.20000112.3S309 E310 K375S309-S312 PolarHBondContact OG-O 3.28Å; E310-S312 VanDerWaalsContact C-N 3.32Å; E310-S312 PolarHBondContact O-N 2.91Å; E310-S312 VanDerWaalsContact O-N 3.1Å; S312-K375 WeakPolarHBondContact OG-CE 3.24Å; S312-K375 PolarHBondContact OG-NZ 2.91Å; S312-K375 VanDerWaalsContact OG-NZ 3.17Å
313D84.4Confident90.6Very high50 Ų5029.8 Ų29.827%0.26717%0.167SC..  trans-59.5146.7176.658.9-25.6000112.2R341 Y342 Y369 K375D313-R341 WeakPolarHBondContact OD2-CD 3.2Å; D313-Y342 CarbonylContact C-O 3.47Å; D313-Y342 WeakPolarHBondContact CA-O 3.28Å; D313-Y342 WeakPolarHBondContact CB-O 3.4Å; D313-Y369 PolarHBondContact O-OH 2.91Å; D313-Y369 WeakPolarHBondContact OD1-CE2 3.39Å; D313-Y369 WeakPolarHBondContact OD2-CE2 3.35Å; D313-K375 WeakPolarHBondContact O-CD 3.15Å; D313-K375 WeakPolarHBondContact O-CE 3.26Å
314V92.1Very high89.3Confident0 Ų037.2 Ų37.20%021%0.205CC..EExtended strand (participates in β ladder)trans-122141.2171.667.80000110.2F307 Y342 S344 F365 Y369 V377F307-V314 HydrophobicContact CD2-CG1 3.86Å; F307-V314 HydrophobicContact CE2-CG1 3.48Å; F307-V314 VanDerWaalsContact CE2-CG1 3.48Å; V314-Y342 PolarHBondContact N-O 3.35Å; V314-Y342 PolarHBondContact O-N 2.89Å; V314-S344 WeakPolarHBondContact CG1-OG 3.31Å; V314-F365 HydrophobicContact CG2-CB 4.4Å; V314-Y369 WeakPolarHBondContact CA-OH 3.15Å; V314-Y369 PolarHBondContact N-OH 2.98Å; V314-Y369 VanDerWaalsContact N-OH 3.11Å; V314-V377 HydrophobicContact CB-CG2 4.5Å; V314-V377 HydrophobicContact CG2-CG2 3.95Å
315G94Very high88Confident2 Ų239.8 Ų39.82%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-75.4137.2172.300000109.7Q340 F365 D366 Y369G315-Q340 CarbonylContact C-O 3.59Å; G315-Q340 VanDerWaalsContact CA-O 3.28Å; G315-Q340 WeakPolarHBondContact CA-O 3.36Å; G315-F365 CarbonylContact O-C 3.55Å; G315-F365 WeakPolarHBondContact O-CA 3.48Å; G315-D366 WeakPolarHBondContact CA-O 3.28Å; G315-D366 PolarHBondContact N-O 2.84Å; G315-D366 PolarHBondContact O-N 2.93Å; G315-Y369 PolarHBondContact N-OH 2.61Å
316F96.4Very high87Confident0 Ų044.9 Ų44.90%026%0.262CS..EExtended strand (participates in β ladder)trans-143.3135.9175.9175-97000111.1W305 F307 I318 L337 S339 Q340 Y342 L363 R364 F365W305-F316 AromaticContact CD1-CE1 3.77Å; W305-F316 AromaticContact CD1-CZ 3.59Å; W305-F316 HydrophobicContact CD2-CE1 4.17Å; W305-F316 AromaticContact CD2-CZ 3.92Å; W305-F316 HydrophobicContact CD2-CZ 3.92Å; W305-F316 AromaticContact CE2-CE1 3.55Å; W305-F316 AromaticContact CE2-CZ 3.8Å; W305-F316 HydrophobicContact CG-CE1 4.28Å; W305-F316 AromaticContact CG-CZ 3.78Å; W305-F316 HydrophobicContact CG-CZ 3.78Å; W305-F316 HydrophobicContact CZ2-CE1 4.01Å; W305-F316 AromaticContact NE1-CE1 3.28Å; W305-F316 VanDerWaalsContact NE1-CE1 3.28Å; W305-F316 AromaticContact NE1-CZ 3.58Å; F307-F316 HydrophobicContact CD1-CD2 4.34Å; F307-F316 HydrophobicContact CD1-CE2 4.5Å; F307-F316 HydrophobicContact CD1-CG 4.46Å; F307-F316 HydrophobicContact CE1-CB 4Å; F307-F316 AromaticContact CE1-CD1 3.77Å; F307-F316 HydrophobicContact CE1-CD1 3.77Å; F307-F316 AromaticContact CE1-CD2 3.91Å; F307-F316 HydrophobicContact CE1-CD2 3.91Å; F307-F316 HydrophobicContact CE1-CE1 4.19Å; F307-F316 HydrophobicContact CE1-CE2 4.3Å; F307-F316 AromaticContact CE1-CG 3.61Å; F307-F316 HydrophobicContact CE1-CG 3.61Å; F307-F316 HydrophobicContact CE1-CZ 4.42Å; F307-F316 HydrophobicContact CE2-CB 4.39Å; F307-F316 HydrophobicContact CZ-CB 3.65Å; F307-F316 HydrophobicContact CZ-CD1 4.17Å; F307-F316 HydrophobicContact CZ-CD2 4.38Å; F307-F316 AromaticContact CZ-CG 3.81Å; F307-F316 HydrophobicContact CZ-CG 3.81Å; F316-I318 HydrophobicContact CE1-CD1 4.32Å; F316-I318 HydrophobicContact CE1-CG1 4.1Å; F316-I318 HydrophobicContact CZ-CD1 4.16Å; F316-I318 HydrophobicContact CZ-CG1 3.93Å; F316-L337 HydrophobicContact CD1-CD2 4.35Å; F316-L337 HydrophobicContact CE1-CD2 3.93Å; F316-S339 VanDerWaalsContact O-CA 3.29Å; F316-S339 WeakPolarHBondContact O-CA 3.35Å; F316-Q340 PolarHBondContact N-O 3.41Å; F316-Q340 PolarHBondContact O-N 3.05Å; F316-Y342 HydrophobicContact CB-CD2 3.76Å; F316-Y342 HydrophobicContact CB-CE2 3.76Å; F316-Y342 HydrophobicContact CD1-CE2 4.12Å; F316-Y342 HydrophobicContact CG-CE2 4.46Å; F316-Y342 WeakPolarHBondContact O-CE2 3.49Å; F316-L363 HydrophobicContact CE2-CB 4.13Å; F316-L363 HydrophobicContact CE2-CD2 4.36Å; F316-L363 HydrophobicContact CZ-CB 4.49Å; F316-L363 HydrophobicContact CZ-CD2 4.08Å; F316-R364 WeakPolarHBondContact CA-O 3.49Å; F316-F365 AromaticContact CD2-CD1 3.7Å; F316-F365 HydrophobicContact CD2-CD1 3.7Å; F316-F365 AromaticContact CD2-CE1 3.41Å; F316-F365 HydrophobicContact CD2-CE1 3.41Å; F316-F365 VanDerWaalsContact CD2-CE1 3.41Å; F316-F365 HydrophobicContact CD2-CG 4.41Å; F316-F365 AromaticContact CD2-CZ 3.93Å; F316-F365 HydrophobicContact CD2-CZ 3.93Å; F316-F365 HydrophobicContact CE2-CD1 4.48Å; F316-F365 AromaticContact CE2-CE1 3.86Å; F316-F365 HydrophobicContact CE2-CE1 3.86Å; F316-F365 AromaticContact CE2-CZ 3.9Å; F316-F365 HydrophobicContact CE2-CZ 3.9Å; F316-F365 HydrophobicContact CG-CE1 4.36Å
317G96.4Very high86.1Confident0 Ų052.4 Ų52.40%029%0.29CS..EExtended strand (participates in β ladder)trans-155.7164.6174.900000111.8L337 R364G317-L337 WeakPolarHBondContact CA-O 3.37Å; G317-R364 PolarHBondContact N-O 2.74Å; G317-R364 VanDerWaalsContact N-O 3.17Å; G317-R364 PolarHBondContact O-N 3.19Å
318I96.6Very high85.4Confident0 Ų052.8 Ų52.80%029%0.292CS..EExtended strand (participates in β ladder)trans-123.1131.9179-53.2179.8000108.8W305 F316 V336 L337 L353 Y361 V362 L363W305-I318 HydrophobicContact CD2-CD1 4.18Å; W305-I318 HydrophobicContact CE3-CD1 3.7Å; W305-I318 HydrophobicContact CH2-CD1 3.46Å; W305-I318 VanDerWaalsContact CH2-CD1 3.46Å; W305-I318 HydrophobicContact CZ2-CD1 3.95Å; W305-I318 HydrophobicContact CZ3-CD1 3.32Å; F316-I318 HydrophobicContact CE1-CD1 4.32Å; F316-I318 HydrophobicContact CE1-CG1 4.1Å; F316-I318 HydrophobicContact CZ-CD1 4.16Å; F316-I318 HydrophobicContact CZ-CG1 3.93Å; I318-V336 HydrophobicContact CG2-CB 4.37Å; I318-V336 WeakPolarHBondContact O-CA 3.45Å; I318-V336 PolarHBondContact O-N 2.93Å; I318-L337 HydrophobicContact CB-CB 3.81Å; I318-L337 HydrophobicContact CD1-CB 4.38Å; I318-L337 HydrophobicContact CD1-CD2 4.14Å; I318-L337 HydrophobicContact CG1-CB 4.03Å; I318-L337 HydrophobicContact CG1-CD2 4.14Å; I318-L337 PolarHBondContact N-O 2.67Å; I318-L337 PolarHBondContact O-N 2.85Å; I318-L353 HydrophobicContact CD1-CD2 4.33Å; I318-L353 HydrophobicContact CG2-CD2 4.28Å; I318-Y361 HydrophobicContact CG2-CD1 4.18Å; I318-V362 WeakPolarHBondContact CA-O 3.44Å; I318-L363 HydrophobicContact CD1-CD2 4.14Å; I318-L363 HydrophobicContact CD1-CG 4.28Å; I318-L363 HydrophobicContact CG1-CD2 4.38Å; I318-L363 HydrophobicContact CG1-CG 4.09Å; I318-L363 HydrophobicContact CG2-CG 4.47Å
319F95.4Very high84.8Confident2 Ų260 Ų601%0.00932%0.316CS..EExtended strand (participates in β ladder)trans-127.9157.9-176.5-54.2-97.6000110A330 M333 T334 E335 Y361 V362 R364F319-A330 HydrophobicContact CD1-CB 4.35Å; F319-A330 HydrophobicContact CE1-CB 3.81Å; F319-A330 HydrophobicContact CZ-CB 3.93Å; F319-M333 HydrophobicContact CB-CB 3.77Å; F319-M333 HydrophobicContact CB-CE 3.81Å; F319-M333 HydrophobicContact CB-CG 4.48Å; F319-M333 HydrophobicContact CB-SD 3.97Å; F319-M333 HydrophobicContact CD1-CB 4.33Å; F319-M333 HydrophobicContact CD1-CE 4.41Å; F319-M333 HydrophobicContact CD2-CE 4.27Å; F319-M333 HydrophobicContact CG-CB 4.41Å; F319-M333 HydrophobicContact CG-CE 3.92Å; F319-T334 CarbonylContact C-O 3.49Å; F319-T334 VanDerWaalsContact CA-O 3.28Å; F319-T334 WeakPolarHBondContact CA-O 3.29Å; F319-E335 HydrophobicContact CD1-CG 3.91Å; F319-E335 HydrophobicContact CE1-CG 3.74Å; F319-Y361 CarbonylContact O-C 3.47Å; F319-Y361 WeakPolarHBondContact O-CA 3.28Å; F319-V362 HydrophobicContact CB-CB 4.42Å; F319-V362 PolarHBondContact N-O 2.99Å; F319-V362 PolarHBondContact O-N 2.68Å; F319-R364 HydrophobicContact CD2-CB 4.2Å; F319-R364 HydrophobicContact CE2-CB 3.95Å
320L93.9Very high84.4Confident16 Ų1660.6 Ų60.68%0.08432%0.322CS..EExtended strand (participates in β ladder)trans-114.2124.5171.6-177.466.2000108.4M333 T334 V336 Y361L320-M333 WeakPolarHBondContact O-CB 3.34Å; L320-T334 PolarHBondContact N-O 2.63Å; L320-T334 PolarHBondContact O-N 2.84Å; L320-V336 HydrophobicContact CB-CG2 3.71Å; L320-Y361 HydrophobicContact CD1-CD2 3.84Å; L320-Y361 HydrophobicContact CD1-CE2 3.75Å; L320-Y361 HydrophobicContact CD1-CG 4.26Å
321K91.5Very high84.2Confident25 Ų2559.4 Ų59.411%0.10934%0.338CS..  trans-61.7139.4177.6-73.1-164.5177-178.50111.2E293 E326 Q328 M333 I360 V362E293-K321 VanDerWaalsContact CD-CE 3.42Å; E293-K321 WeakPolarHBondContact OE1-CE 3.33Å; E293-K321 IonicContact OE1-NZ 3.82Å; E293-K321 PolarHBondContact OE1-NZ 3.05Å; E293-K321 WeakPolarHBondContact OE2-CE 3.31Å; E293-K321 IonicContact OE2-NZ 3.82Å; E293-K321 PolarHBondContact OE2-NZ 3Å; K321-E326 PolarHBondContact NZ-O 2.85Å; K321-Q328 VanDerWaalsContact CA-OE1 3.31Å; K321-Q328 VanDerWaalsContact CB-OE1 3.25Å; K321-M333 HydrophobicContact CG-SD 4.02Å; K321-I360 HydrophobicContact CB-CB 4.16Å; K321-I360 HydrophobicContact CD-CB 4.1Å; K321-I360 HydrophobicContact CD-CD1 4.28Å; K321-I360 HydrophobicContact CD-CG2 3.95Å; K321-I360 HydrophobicContact CG-CB 4.15Å; K321-I360 HydrophobicContact CG-CG2 4.21Å; K321-I360 PolarHBondContact N-O 2.93Å; K321-V362 HydrophobicContact CD-CG2 4.33Å; K321-V362 HydrophobicContact CG-CG2 3.72Å
322T82.7Confident84.7Confident79 Ų7960.8 Ų60.849%0.48533%0.326SS..SBendtrans-94.6-17.4173.555.90000112Q328 E332T322-Q328 PolarHBondContact OG1-NE2 2.83Å; T322-E332 WeakPolarHBondContact CG2-O 3.44Å; T322-E332 PolarHBondContact OG1-O 3.17Å
323K76Confident85.3Confident130 Ų13059.7 Ų59.757%0.56532%0.317SS*.SBendtrans-133.2136.6178.6-61.6-179.1-177.6178.10111Q328K323-Q328 VanDerWaalsContact N-OE1 3.12Å; K323-Q328 PolarHBondContact O-OE1 3.29Å
324I69.4Low85.7Confident157 Ų15761 Ų6181%0.80533%0.327SS*.SBendtrans-83.5135.2-179-57.6173.5000109.4
325G68.1Low85.8Confident74 Ų7466.4 Ų66.476%0.76335%0.352SS*.SBendtrans92-9.9167.900000117.4
326E74.6Confident85.8Confident128 Ų12868.7 Ų68.760%0.59837%0.366SS*.SBendtrans-110.1149176.4-68.7-17917800111.9K321 Q328K321-E326 PolarHBondContact NZ-O 2.85Å; E326-Q328 PolarHBondContact O-N 2.94Å
327R74.9Confident85.7Confident175 Ų17570.7 Ų70.766%0.6638%0.376SS*.  trans-75.5108168.6-174.2179.1-176.3-176.41.5108.2
328Q79.6Confident85.5Confident8 Ų873.7 Ų73.74%0.03740%0.395CS..  trans-88.9146.2-179.9-60-167.1-88.200111.5K321 T322 K323 E326 E332 M333K321-Q328 VanDerWaalsContact CA-OE1 3.31Å; K321-Q328 VanDerWaalsContact CB-OE1 3.25Å; T322-Q328 PolarHBondContact OG1-NE2 2.83Å; K323-Q328 VanDerWaalsContact N-OE1 3.12Å; K323-Q328 PolarHBondContact O-OE1 3.29Å; E326-Q328 PolarHBondContact O-N 2.94Å; Q328-E332 WeakPolarHBondContact CA-OE2 3.38Å; Q328-E332 HydrophobicContact CB-CB 4.32Å; Q328-M333 HydrophobicContact CB-CG 3.63Å; Q328-M333 HydrophobicContact CB-SD 4.06Å; Q328-M333 HydrophobicContact CG-CG 4.49Å
329R82.1Confident85.3Confident196 Ų19676.1 Ų76.174%0.7441%0.413SS*.  trans-72.1153.7167.1-64.2179.5178.6-175.41.8108.8G331 E332R329-G331 VanDerWaalsContact C-N 3.26Å; R329-G331 PolarHBondContact O-N 3.47Å; R329-E332 HydrophobicContact CB-CG 4.3Å; R329-E332 PolarHBondContact N-OE2 2.83Å; R329-E332 WeakPolarHBondContact O-CB 3.35Å; R329-E332 PolarHBondContact O-N 3.24Å
330A80.9Confident85.1Confident17 Ų1781.2 Ų81.214%0.1444%0.437CS..G310 helixtrans-55.4-39.3-179.100000113.8F319 E332 M333F319-A330 HydrophobicContact CD1-CB 4.35Å; F319-A330 HydrophobicContact CE1-CB 3.81Å; F319-A330 HydrophobicContact CZ-CB 3.93Å; A330-E332 PolarHBondContact O-N 2.86Å; A330-E332 VanDerWaalsContact O-N 3.16Å; A330-M333 HydrophobicContact CB-CE 4.36Å; A330-M333 PolarHBondContact O-N 2.92Å; A330-M333 VanDerWaalsContact O-N 3.16Å
331G83.7Confident85Confident82 Ų8288.1 Ų88.185%0.84546%0.461SS*.G310 helixtrans-69.4-6.1177.400000115.5R329R329-G331 VanDerWaalsContact C-N 3.26Å; R329-G331 PolarHBondContact O-N 3.47Å
332E87.4Confident84.9Confident100 Ų10088.8 Ų88.847%0.46746%0.464SS..G310 helixtrans-100.2-10.1175.7-61.6164.1179.700112.2T322 Q328 R329 A330T322-E332 WeakPolarHBondContact CG2-O 3.44Å; T322-E332 PolarHBondContact OG1-O 3.17Å; Q328-E332 WeakPolarHBondContact CA-OE2 3.38Å; Q328-E332 HydrophobicContact CB-CB 4.32Å; R329-E332 HydrophobicContact CB-CG 4.3Å; R329-E332 PolarHBondContact N-OE2 2.83Å; R329-E332 WeakPolarHBondContact O-CB 3.35Å; R329-E332 PolarHBondContact O-N 3.24Å; A330-E332 PolarHBondContact O-N 2.86Å; A330-E332 VanDerWaalsContact O-N 3.16Å
333M92Very high85.1Confident13 Ų1389.2 Ų89.26%0.06446%0.463CS..SBendtrans-100.3154.5-179.6-61.6-173.2-73.800110.2F319 L320 K321 Q328 A330 E335 V362F319-M333 HydrophobicContact CB-CB 3.77Å; F319-M333 HydrophobicContact CB-CE 3.81Å; F319-M333 HydrophobicContact CB-CG 4.48Å; F319-M333 HydrophobicContact CB-SD 3.97Å; F319-M333 HydrophobicContact CD1-CB 4.33Å; F319-M333 HydrophobicContact CD1-CE 4.41Å; F319-M333 HydrophobicContact CD2-CE 4.27Å; F319-M333 HydrophobicContact CG-CB 4.41Å; F319-M333 HydrophobicContact CG-CE 3.92Å; L320-M333 WeakPolarHBondContact O-CB 3.34Å; K321-M333 HydrophobicContact CG-SD 4.02Å; Q328-M333 HydrophobicContact CB-CG 3.63Å; Q328-M333 HydrophobicContact CB-SD 4.06Å; Q328-M333 HydrophobicContact CG-CG 4.49Å; A330-M333 HydrophobicContact CB-CE 4.36Å; A330-M333 PolarHBondContact O-N 2.92Å; A330-M333 VanDerWaalsContact O-N 3.16Å; M333-E335 PolarHBondContact O-N 2.67Å; M333-V362 HydrophobicContact CE-CB 4.48Å; M333-V362 HydrophobicContact CE-CG1 4.37Å; M333-V362 HydrophobicContact SD-CB 4.12Å; M333-V362 HydrophobicContact SD-CG1 4.45Å; M333-V362 HydrophobicContact SD-CG2 3.8Å
334T92.1Very high85.4Confident77 Ų7783 Ų8347%0.47244%0.436SS..EExtended strand (participates in β ladder)trans-74.3125.7172.5-57.30000108.9F319 L320 V336F319-T334 CarbonylContact C-O 3.49Å; F319-T334 VanDerWaalsContact CA-O 3.28Å; F319-T334 WeakPolarHBondContact CA-O 3.29Å; L320-T334 PolarHBondContact N-O 2.63Å; L320-T334 PolarHBondContact O-N 2.84Å; T334-V336 PolarHBondContact O-N 3Å
335E93.2Very high85.9Confident114 Ų11478.8 Ų78.853%0.53341%0.413SS..EExtended strand (participates in β ladder)trans-71.1125.8174.5-65.3-164.7158.900110.5F319 M333F319-E335 HydrophobicContact CD1-CG 3.91Å; F319-E335 HydrophobicContact CE1-CG 3.74Å; M333-E335 PolarHBondContact O-N 2.67Å
336V94.4Very high86.4Confident50 Ų5081 Ų8130%0.30340%0.404SS..EExtended strand (participates in β ladder)trans-106.4-44.3176-173.30000110.4I318 L320 T334 L353 Y361I318-V336 HydrophobicContact CG2-CB 4.37Å; I318-V336 WeakPolarHBondContact O-CA 3.45Å; I318-V336 PolarHBondContact O-N 2.93Å; L320-V336 HydrophobicContact CB-CG2 3.71Å; T334-V336 PolarHBondContact O-N 3Å; V336-L353 HydrophobicContact CG1-CD1 4.16Å; V336-L353 HydrophobicContact CG1-CD2 3.49Å; V336-L353 VanDerWaalsContact CG1-CD2 3.49Å; V336-L353 HydrophobicContact CG1-CG 4.39Å; V336-Y361 HydrophobicContact CG1-CE1 4.26Å; V336-Y361 HydrophobicContact CG2-CE1 4.32Å
337L93.9Very high86.9Confident42 Ų4277.1 Ų77.122%0.2239%0.39CS..EExtended strand (participates in β ladder)trans-125.7111.2166.5-178.868.1000107.5W305 F316 G317 I318 S339W305-L337 HydrophobicContact CH2-CD2 4.14Å; W305-L337 HydrophobicContact CZ2-CD2 3.74Å; F316-L337 HydrophobicContact CD1-CD2 4.35Å; F316-L337 HydrophobicContact CE1-CD2 3.93Å; G317-L337 WeakPolarHBondContact CA-O 3.37Å; I318-L337 HydrophobicContact CB-CB 3.81Å; I318-L337 HydrophobicContact CD1-CB 4.38Å; I318-L337 HydrophobicContact CD1-CD2 4.14Å; I318-L337 HydrophobicContact CG1-CB 4.03Å; I318-L337 HydrophobicContact CG1-CD2 4.14Å; I318-L337 PolarHBondContact N-O 2.67Å; I318-L337 PolarHBondContact O-N 2.85Å; L337-S339 PolarHBondContact O-N 2.82Å
338P92.4Very high87.5Confident62 Ų6269.2 Ų69.240%0.40336%0.361SS..EExtended strand (participates in β ladder)trans-54.5141.4-179.4-26.934.8000111.6Q340P338-Q340 PolarHBondContact O-N 3.26Å
339S92.4Very high88.1Confident52 Ų5271.7 Ų71.736%0.36437%0.372SS..EExtended strand (participates in β ladder)trans-65.4123.5178.3-169.10000110.5F316 L337F316-S339 VanDerWaalsContact O-CA 3.29Å; F316-S339 WeakPolarHBondContact O-CA 3.35Å; L337-S339 PolarHBondContact O-N 2.82Å
340Q92.7Very high88.6Confident109 Ų10964.7 Ų64.751%0.50935%0.35SS..EExtended strand (participates in β ladder)trans-125.3159.7175.5-62.8-177.321.500110.4G315 F316 P338 Y342G315-Q340 CarbonylContact C-O 3.59Å; G315-Q340 VanDerWaalsContact CA-O 3.28Å; G315-Q340 WeakPolarHBondContact CA-O 3.36Å; F316-Q340 PolarHBondContact N-O 3.41Å; F316-Q340 PolarHBondContact O-N 3.05Å; P338-Q340 PolarHBondContact O-N 3.26Å; Q340-Y342 HydrophobicContact CB-CD2 4.41Å; Q340-Y342 HydrophobicContact CB-CE2 3.7Å; Q340-Y342 WeakPolarHBondContact O-CD2 3.46Å; Q340-Y342 WeakPolarHBondContact O-CE2 3.39Å
341R91.1Very high89.2Confident161 Ų16164.6 Ų64.661%0.60835%0.35SS*.EExtended strand (participates in β ladder)trans-88.4125.8172.7-63.7-169.2-172.2-178.93.6109.4D313 Y369D313-R341 WeakPolarHBondContact OD2-CD 3.2Å; R341-Y369 HydrophobicContact CG-CE1 4.13Å; R341-Y369 VanDerWaalsContact NH2-CB 3.32Å
342Y88.6Confident89.7Confident39 Ų3962.3 Ų62.315%0.15332%0.32CS..EExtended strand (participates in β ladder)trans-114.1133.6-179.7-64.1-92.9000110.9F307 D313 V314 F316 Q340 S344 E349F307-Y342 HydrophobicContact CZ-CD2 4.07Å; F307-Y342 HydrophobicContact CZ-CG 4.05Å; D313-Y342 CarbonylContact C-O 3.47Å; D313-Y342 WeakPolarHBondContact CA-O 3.28Å; D313-Y342 WeakPolarHBondContact CB-O 3.4Å; V314-Y342 PolarHBondContact N-O 3.35Å; V314-Y342 PolarHBondContact O-N 2.89Å; F316-Y342 HydrophobicContact CB-CD2 3.76Å; F316-Y342 HydrophobicContact CB-CE2 3.76Å; F316-Y342 HydrophobicContact CD1-CE2 4.12Å; F316-Y342 HydrophobicContact CG-CE2 4.46Å; F316-Y342 WeakPolarHBondContact O-CE2 3.49Å; Q340-Y342 HydrophobicContact CB-CD2 4.41Å; Q340-Y342 HydrophobicContact CB-CE2 3.7Å; Q340-Y342 WeakPolarHBondContact O-CD2 3.46Å; Q340-Y342 WeakPolarHBondContact O-CE2 3.39Å; Y342-S344 PolarHBondContact O-N 2.74Å; Y342-E349 HydrophobicContact CD1-CG 3.91Å; Y342-E349 HydrophobicContact CG-CG 4.12Å
343N86.8Confident90.1Very high88 Ų8859.3 Ų59.347%0.47131%0.307SS..  trans-83.868.6172.3-173.5-8.9000110H345N343-H345 VanDerWaalsContact C-N 3.31Å; N343-H345 PolarHBondContact O-N 2.78Å; N343-H345 PolarHBondContact OD1-CE1 3.43Å; N343-H345 PolarHBondContact OD1-ND1 2.77Å
344S83.8Confident90.2Very high0 Ų061.6 Ų61.60%032%0.321CS..THydrogen-bonded Turntrans-89.211.5-173.667.60000114.4M308 S309 V314 Y342 V347 E349M308-S344 WeakPolarHBondContact CA-O 3.31Å; M308-S344 VanDerWaalsContact CG-O 3.26Å; M308-S344 WeakPolarHBondContact CG-O 3.16Å; S309-S344 PolarHBondContact N-O 2.74Å; S309-S344 PolarHBondContact N-OG 3.33Å; S309-S344 PolarHBondContact OG-OG 3.41Å; V314-S344 WeakPolarHBondContact CG1-OG 3.31Å; Y342-S344 PolarHBondContact O-N 2.74Å; S344-V347 CarbonylContact C-O 3.41Å; S344-V347 WeakPolarHBondContact CA-O 3.45Å; S344-E349 VanDerWaalsContact CB-CG 3.49Å
345H79.1Confident90.2Very high68 Ų6857.9 Ų57.932%0.31530%0.299SS..THydrogen-bonded Turntrans-87.6-20.9178.970.2-95.9000114S309 N343S309-H345 WeakPolarHBondContact O-CA 2.92Å; S309-H345 WeakPolarHBondContact O-CB 3.48Å; N343-H345 VanDerWaalsContact C-N 3.31Å; N343-H345 PolarHBondContact O-N 2.78Å; N343-H345 PolarHBondContact OD1-CE1 3.43Å; N343-H345 PolarHBondContact OD1-ND1 2.77Å
346M79.3Confident90Very high119 Ų11956.7 Ų56.759%0.58630%0.303SS*.THydrogen-bonded Turntrans-93.9-45.6177-63.2-58.7-66.900111.7Q273Q273-M346 PolarHBondContact NE2-O 3.43Å
347V83.5Confident89.8Confident48 Ų4859.8 Ų59.829%0.29131%0.314SS..SBendtrans-132.1135.6-179-179.60000107.7Q273 S344Q273-V347 HydrophobicContact CB-CG1 4.38Å; S344-V347 CarbonylContact C-O 3.41Å; S344-V347 WeakPolarHBondContact CA-O 3.45Å
348P88.7Confident89.7Confident9 Ų961.4 Ų61.46%0.05833%0.327CS..  trans-56.2141.3173.5-21.829.6000111.4Q273 Y278 Q306 F307 M308Q273-P348 VanDerWaalsContact OE1-CD 3.22Å; Y278-P348 VanDerWaalsContact OH-CB 3.31Å; Y278-P348 WeakPolarHBondContact OH-CB 3.12Å; Y278-P348 WeakPolarHBondContact OH-CG 2.73Å; Q306-P348 HydrophobicContact CG-CB 4.19Å; F307-P348 WeakPolarHBondContact O-CA 3.34Å; M308-P348 HydrophobicContact CE-CB 4.26Å; M308-P348 HydrophobicContact CE-CG 3.48Å; M308-P348 VanDerWaalsContact CE-CG 3.48Å
349E92.1Very high89.7Confident59 Ų5959.6 Ų59.628%0.27632%0.32SS..EExtended strand (participates in β ladder)trans-92.2130.5168.5-66.9-70.6175.600108.9Q306 F307 Y342 S344Q306-E349 CarbonylContact C-O 3.21Å; Q306-E349 WeakPolarHBondContact CA-O 3.47Å; Q306-E349 VanDerWaalsContact CG-O 3.26Å; Q306-E349 WeakPolarHBondContact CG-O 3.49Å; F307-E349 HydrophobicContact CD1-CB 4.16Å; F307-E349 HydrophobicContact CD2-CB 4.3Å; F307-E349 HydrophobicContact CE1-CB 3.67Å; F307-E349 HydrophobicContact CE2-CB 3.82Å; F307-E349 HydrophobicContact CE2-CG 4.04Å; F307-E349 HydrophobicContact CG-CB 4.45Å; F307-E349 HydrophobicContact CZ-CB 3.48Å; F307-E349 VanDerWaalsContact CZ-CB 3.48Å; F307-E349 HydrophobicContact CZ-CG 3.94Å; F307-E349 PolarHBondContact N-O 3.15Å; F307-E349 PolarHBondContact O-N 2.9Å; Y342-E349 HydrophobicContact CD1-CG 3.91Å; Y342-E349 HydrophobicContact CG-CG 4.12Å; S344-E349 VanDerWaalsContact CB-CG 3.49Å
350D92.8Very high89.8Confident50 Ų5058.4 Ų58.427%0.26731%0.309SS..EExtended strand (participates in β ladder)trans-129150.7176.971.4-101.6000110.2K109 W164 W305 Q306K109-D350 IonicContact NZ-OD1 2.67Å; K109-D350 PolarHBondContact NZ-OD1 3.49Å; W164-D350 VanDerWaalsContact CD1-OD2 3.24Å; W164-D350 PolarHBondContact NE1-OD1 3.27Å; W305-D350 WeakPolarHBondContact O-CA 3.47Å; Q306-D350 HydrophobicContact CB-CB 4.28Å; Q306-D350 HydrophobicContact CG-CB 3.91Å
351G93.2Very high89.9Confident14 Ų1453.4 Ų53.414%0.14429%0.285CS..EExtended strand (participates in β ladder)trans-164.2164.9179.600000112.6R304 W305R304-G351 WeakPolarHBondContact CA-O 3.41Å; W305-G351 VanDerWaalsContact CE2-CA 3.47Å; W305-G351 PolarHBondContact N-O 2.87Å; W305-G351 PolarHBondContact O-N 2.9Å
352T94.8Very high90.1Very high35 Ų3545.7 Ų45.722%0.21526%0.256CS..EExtended strand (participates in β ladder)trans-142.5152.3176.948.40000110.3L160 V302 L303 R304 W305L160-T352 WeakPolarHBondContact CB-OG1 3.34Å; V302-T352 HydrophobicContact CG1-CG2 4.21Å; L303-T352 CarbonylContact O-C 3.6Å; L303-T352 WeakPolarHBondContact O-CA 3.47Å; R304-T352 HydrophobicContact CB-CG2 3.87Å; R304-T352 HydrophobicContact CG-CG2 3.78Å; W305-T352 VanDerWaalsContact CZ3-C 3.49Å
353L94.8Very high90.5Very high37 Ų3743.9 Ų43.919%0.19425%0.249CC..EExtended strand (participates in β ladder)trans-147.4129.1-179.717779.3000109V302 L303 W305 I318 V336 Y361V302-L353 CarbonylContact C-O 3.43Å; V302-L353 WeakPolarHBondContact CA-O 3.17Å; L303-L353 PolarHBondContact N-O 2.99Å; L303-L353 PolarHBondContact O-N 2.78Å; W305-L353 HydrophobicContact CH2-CB 3.9Å; W305-L353 HydrophobicContact CZ3-CB 3.65Å; I318-L353 HydrophobicContact CD1-CD2 4.33Å; I318-L353 HydrophobicContact CG2-CD2 4.28Å; V336-L353 HydrophobicContact CG1-CD1 4.16Å; V336-L353 HydrophobicContact CG1-CD2 3.49Å; V336-L353 VanDerWaalsContact CG1-CD2 3.49Å; V336-L353 HydrophobicContact CG1-CG 4.39Å; L353-Y361 HydrophobicContact CD2-CD1 4.38Å; L353-Y361 HydrophobicContact CD2-CE1 4.24Å
354T94.3Very high90.9Very high60 Ų6041.9 Ų41.937%0.36824%0.235SC..EExtended strand (participates in β ladder)trans-76.6122.8168.8-55.70000109.9S356T354-S356 PolarHBondContact O-N 3.17Å; T354-S356 VanDerWaalsContact O-N 3.17Å
355C92.9Very high91.4Very high0 Ų042 Ų420%024%0.235CC..  trans-76.698173.6-61.10000109.4I296 P299 G300 C301 L303 Y361I296-C355 HydrophobicContact CG1-CB 4.44Å; I296-C355 HydrophobicContact CG2-CB 3.99Å; P299-C355 WeakPolarHBondContact CA-O 3.5Å; G300-C355 PolarHBondContact N-O 2.93Å; C301-C355 PolarHBondContact O-N 2.85Å; L303-C355 VanDerWaalsContact CD1-SG 3.59Å; C355-Y361 WeakPolarHBondContact CA-OH 3.39Å; C355-Y361 HydrophobicContact CB-CE1 4.31Å; C355-Y361 HydrophobicContact CB-CE2 3.97Å
356S89Confident92.1Very high88 Ų8839.7 Ų39.762%0.61523%0.226SC*.  trans-78.7-22.6-179.250.70000113.7P299 T354P299-S356 WeakPolarHBondContact CB-O 3.39Å; T354-S356 PolarHBondContact O-N 3.17Å; T354-S356 VanDerWaalsContact O-N 3.17Å
357E90.1Very high92.6Very high116 Ų11634 Ų3454%0.54220%0.198SC..SBendtrans-124.8143.2-177-63.7-177.3179.300110.4Y361E357-Y361 PolarHBondContact N-OH 2.81Å; E357-Y361 VanDerWaalsContact O-CE2 3.28Å; E357-Y361 WeakPolarHBondContact O-CE2 3.14Å; E357-Y361 PolarHBondContact O-OH 2.91Å
358P91.5Very high92.6Very high76 Ų7635 Ų3549%0.49420%0.204SC..  trans-66.3148.9169-13.329.3000110.9I296 P299I296-P358 CarbonylContact O-C 3.51Å; I296-P358 WeakPolarHBondContact O-CA 3.42Å; I296-P358 WeakPolarHBondContact O-CB 3.41Å; P299-P358 HydrophobicContact CG-CG 3.9Å
359G92.8Very high92.1Very high24 Ų2436 Ų3625%0.24721%0.207CC..EExtended strand (participates in β ladder)trans148.4-173.1175.200000112.5I296I296-G359 PolarHBondContact N-O 2.88Å; I296-G359 PolarHBondContact O-N 2.88Å
360I93.8Very high91.3Very high26 Ų2634.1 Ų34.113%0.13320%0.2CC..EExtended strand (participates in β ladder)trans-95.3105.4-177.8-57.6171000109E293 Y294 E295 K321 V362E293-I360 HydrophobicContact CB-CG2 3.87Å; Y294-I360 WeakPolarHBondContact O-CA 3.17Å; E295-I360 HydrophobicContact CB-CG1 4.41Å; E295-I360 HydrophobicContact CG-CG1 4.37Å; K321-I360 HydrophobicContact CB-CB 4.16Å; K321-I360 HydrophobicContact CD-CB 4.1Å; K321-I360 HydrophobicContact CD-CD1 4.28Å; K321-I360 HydrophobicContact CD-CG2 3.95Å; K321-I360 HydrophobicContact CG-CB 4.15Å; K321-I360 HydrophobicContact CG-CG2 4.21Å; K321-I360 PolarHBondContact N-O 2.93Å; I360-V362 HydrophobicContact CG2-CG2 4.38Å
361Y95.1Very high90Very high4 Ų440.6 Ų40.62%0.01623%0.226CC..EExtended strand (participates in β ladder)trans-81.9129.7174.3-71.6-107.2000109.3E293 Y294 I296 L303 I318 F319 L320 V336 L353 C355 E357E293-Y361 CarbonylContact C-O 3.53Å; E293-Y361 WeakPolarHBondContact CA-O 3.47Å; Y294-Y361 PolarHBondContact N-O 3.11Å; Y294-Y361 PolarHBondContact O-N 2.87Å; I296-Y361 HydrophobicContact CB-CD2 3.96Å; I296-Y361 HydrophobicContact CB-CE2 3.91Å; I296-Y361 HydrophobicContact CG1-CD2 3.45Å; I296-Y361 VanDerWaalsContact CG1-CD2 3.45Å; I296-Y361 HydrophobicContact CG1-CE2 3.8Å; I296-Y361 HydrophobicContact CG1-CG 4.36Å; I296-Y361 HydrophobicContact CG2-CE2 4.42Å; L303-Y361 HydrophobicContact CD1-CD1 3.75Å; L303-Y361 HydrophobicContact CD1-CG 3.79Å; I318-Y361 HydrophobicContact CG2-CD1 4.18Å; F319-Y361 CarbonylContact O-C 3.47Å; F319-Y361 WeakPolarHBondContact O-CA 3.28Å; L320-Y361 HydrophobicContact CD1-CD2 3.84Å; L320-Y361 HydrophobicContact CD1-CE2 3.75Å; L320-Y361 HydrophobicContact CD1-CG 4.26Å; V336-Y361 HydrophobicContact CG1-CE1 4.26Å; V336-Y361 HydrophobicContact CG2-CE1 4.32Å; L353-Y361 HydrophobicContact CD2-CD1 4.38Å; L353-Y361 HydrophobicContact CD2-CE1 4.24Å; C355-Y361 WeakPolarHBondContact CA-OH 3.39Å; C355-Y361 HydrophobicContact CB-CE1 4.31Å; C355-Y361 HydrophobicContact CB-CE2 3.97Å; E357-Y361 PolarHBondContact N-OH 2.81Å; E357-Y361 VanDerWaalsContact O-CE2 3.28Å; E357-Y361 WeakPolarHBondContact O-CE2 3.14Å; E357-Y361 PolarHBondContact O-OH 2.91Å
362V95.3Very high88.7Confident0 Ų045.8 Ų45.80%025%0.249CC..EExtended strand (participates in β ladder)trans-114.4111-177.6-175.40000108.5Q291 V292 E293 I318 F319 K321 M333 I360Q291-V362 HydrophobicContact CB-CG1 3.79Å; Q291-V362 HydrophobicContact CG-CG1 4.23Å; V292-V362 WeakPolarHBondContact O-CA 3.38Å; E293-V362 HydrophobicContact CG-CG1 4.42Å; E293-V362 HydrophobicContact CG-CG2 4.12Å; I318-V362 WeakPolarHBondContact CA-O 3.44Å; F319-V362 HydrophobicContact CB-CB 4.42Å; F319-V362 PolarHBondContact N-O 2.99Å; F319-V362 PolarHBondContact O-N 2.68Å; K321-V362 HydrophobicContact CD-CG2 4.33Å; K321-V362 HydrophobicContact CG-CG2 3.72Å; M333-V362 HydrophobicContact CE-CB 4.48Å; M333-V362 HydrophobicContact CE-CG1 4.37Å; M333-V362 HydrophobicContact SD-CB 4.12Å; M333-V362 HydrophobicContact SD-CG1 4.45Å; M333-V362 HydrophobicContact SD-CG2 3.8Å; I360-V362 HydrophobicContact CG2-CG2 4.38Å
363L96.4Very high87.9Confident0 Ų050.1 Ų50.10%027%0.267CS..EExtended strand (participates in β ladder)trans-91.1118.7172.1-59.486.9000107.6Q291 V292 Y294 L303 W305 F316 I318 V381Q291-L363 VanDerWaalsContact CA-O 3.28Å; Q291-L363 WeakPolarHBondContact CA-O 3.34Å; V292-L363 HydrophobicContact CG2-CB 3.84Å; V292-L363 HydrophobicContact CG2-CD1 4.26Å; V292-L363 PolarHBondContact N-O 2.94Å; V292-L363 PolarHBondContact O-N 2.64Å; Y294-L363 HydrophobicContact CD2-CD1 3.65Å; Y294-L363 HydrophobicContact CE2-CD1 4.07Å; L303-L363 HydrophobicContact CD1-CD1 4.45Å; L303-L363 HydrophobicContact CD2-CD1 4.35Å; W305-L363 HydrophobicContact CB-CD2 4.1Å; W305-L363 HydrophobicContact CD2-CD2 4.48Å; W305-L363 HydrophobicContact CE3-CD2 4.33Å; W305-L363 HydrophobicContact CG-CD2 4.42Å; F316-L363 HydrophobicContact CE2-CB 4.13Å; F316-L363 HydrophobicContact CE2-CD2 4.36Å; F316-L363 HydrophobicContact CZ-CB 4.49Å; F316-L363 HydrophobicContact CZ-CD2 4.08Å; I318-L363 HydrophobicContact CD1-CD2 4.14Å; I318-L363 HydrophobicContact CD1-CG 4.28Å; I318-L363 HydrophobicContact CG1-CD2 4.38Å; I318-L363 HydrophobicContact CG1-CG 4.09Å; I318-L363 HydrophobicContact CG2-CG 4.47Å; L363-V381 HydrophobicContact CD1-CG1 4.1Å; L363-V381 HydrophobicContact CD2-CB 4.44Å; L363-V381 HydrophobicContact CD2-CG1 3.69Å; L363-V381 HydrophobicContact CD2-CG2 3.81Å
364R95.4Very high87.5Confident47 Ų4750.7 Ų50.718%0.17728%0.277CS..EExtended strand (participates in β ladder)trans-118.7122.6-170.1-173.2179.6-178.3-141-5.3110.9S289 H290 Q291 F316 G317 F319S289-R364 PolarHBondContact OG-NE 2.87Å; S289-R364 VanDerWaalsContact OG-NE 3.15Å; S289-R364 PolarHBondContact OG-NH2 2.87Å; H290-R364 CarbonylContact O-C 3.48Å; H290-R364 WeakPolarHBondContact O-CA 3.47Å; Q291-R364 HydrophobicContact CB-CB 4.47Å; Q291-R364 HydrophobicContact CB-CG 4.44Å; F316-R364 WeakPolarHBondContact CA-O 3.49Å; G317-R364 PolarHBondContact N-O 2.74Å; G317-R364 VanDerWaalsContact N-O 3.17Å; G317-R364 PolarHBondContact O-N 3.19Å; F319-R364 HydrophobicContact CD2-CB 4.2Å; F319-R364 HydrophobicContact CE2-CB 3.95Å
365F95.3Very high87.3Confident1 Ų148.1 Ų48.10%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-96.2122.1169.3-61.9-77.9000110I284 S289 H290 F307 V314 G315 F316 V377 F379I284-F365 HydrophobicContact CD1-CB 3.44Å; I284-F365 VanDerWaalsContact CD1-CB 3.44Å; I284-F365 HydrophobicContact CD1-CG 4.45Å; S289-F365 CarbonylContact C-O 3.52Å; S289-F365 WeakPolarHBondContact CA-O 3.32Å; S289-F365 VanDerWaalsContact CB-O 3.22Å; S289-F365 WeakPolarHBondContact CB-O 3.38Å; H290-F365 PolarHBondContact N-O 3.1Å; H290-F365 PolarHBondContact O-N 3Å; F307-F365 HydrophobicContact CB-CE1 3.72Å; F307-F365 HydrophobicContact CB-CZ 4.02Å; F307-F365 AromaticContact CD1-CE1 3.69Å; F307-F365 HydrophobicContact CD1-CE1 3.69Å; F307-F365 HydrophobicContact CD1-CZ 4.27Å; F307-F365 HydrophobicContact CD2-CD1 4.49Å; F307-F365 AromaticContact CD2-CE1 3.91Å; F307-F365 HydrophobicContact CD2-CE1 3.91Å; F307-F365 HydrophobicContact CE1-CE1 4.24Å; F307-F365 HydrophobicContact CE2-CE1 4.44Å; F307-F365 HydrophobicContact CG-CD1 4.48Å; F307-F365 AromaticContact CG-CE1 3.5Å; F307-F365 HydrophobicContact CG-CE1 3.5Å; F307-F365 HydrophobicContact CG-CZ 4.2Å; V314-F365 HydrophobicContact CG2-CB 4.4Å; G315-F365 CarbonylContact O-C 3.55Å; G315-F365 WeakPolarHBondContact O-CA 3.48Å; F316-F365 AromaticContact CD2-CD1 3.7Å; F316-F365 HydrophobicContact CD2-CD1 3.7Å; F316-F365 AromaticContact CD2-CE1 3.41Å; F316-F365 HydrophobicContact CD2-CE1 3.41Å; F316-F365 VanDerWaalsContact CD2-CE1 3.41Å; F316-F365 HydrophobicContact CD2-CG 4.41Å; F316-F365 AromaticContact CD2-CZ 3.93Å; F316-F365 HydrophobicContact CD2-CZ 3.93Å; F316-F365 HydrophobicContact CE2-CD1 4.48Å; F316-F365 AromaticContact CE2-CE1 3.86Å; F316-F365 HydrophobicContact CE2-CE1 3.86Å; F316-F365 AromaticContact CE2-CZ 3.9Å; F316-F365 HydrophobicContact CE2-CZ 3.9Å; F316-F365 HydrophobicContact CG-CE1 4.36Å; F365-V377 HydrophobicContact CD1-CG1 3.89Å; F365-V377 HydrophobicContact CE1-CG1 4.03Å; F365-V377 HydrophobicContact CG-CG1 4.28Å; F365-F379 HydrophobicContact CD2-CD1 4.41Å; F365-F379 HydrophobicContact CD2-CE1 4.47Å; F365-F379 HydrophobicContact CE2-CB 4.21Å; F365-F379 AromaticContact CE2-CD1 3.76Å; F365-F379 HydrophobicContact CE2-CD1 3.76Å; F365-F379 AromaticContact CE2-CD2 3.91Å; F365-F379 HydrophobicContact CE2-CD2 3.91Å; F365-F379 HydrophobicContact CE2-CE1 4.04Å; F365-F379 HydrophobicContact CE2-CE2 4.17Å; F365-F379 AromaticContact CE2-CG 3.69Å; F365-F379 HydrophobicContact CE2-CG 3.69Å; F365-F379 HydrophobicContact CE2-CZ 4.23Å; F365-F379 HydrophobicContact CZ-CB 3.72Å; F365-F379 HydrophobicContact CZ-CD1 4.12Å; F365-F379 HydrophobicContact CZ-CD2 4.15Å; F365-F379 AromaticContact CZ-CG 3.74Å; F365-F379 HydrophobicContact CZ-CG 3.74Å
366D92.4Very high87.3Confident20 Ų2051.3 Ų51.311%0.10727%0.274CS..EExtended strand (participates in β ladder)trans-115.4122.8-171.1-169.216.3000112G315 T368 Y369G315-D366 WeakPolarHBondContact CA-O 3.28Å; G315-D366 PolarHBondContact N-O 2.84Å; G315-D366 PolarHBondContact O-N 2.93Å; D366-T368 VanDerWaalsContact OD1-CB 3.23Å; D366-T368 WeakPolarHBondContact OD1-CB 3.33Å; D366-T368 WeakPolarHBondContact OD1-CG2 3.46Å; D366-T368 PolarHBondContact OD1-N 2.9Å; D366-T368 PolarHBondContact OD1-OG1 2.75Å; D366-T368 PolarHBondContact OD2-OG1 3.47Å; D366-Y369 WeakPolarHBondContact O-CE1 3.46Å
367N91.5Very high87.5Confident0 Ų047.1 Ų47.10%025%0.245CC..  trans-116.122.3174.4-169.230.4000111.1I284 S285 A287 S288 Y369 S370 H373 K375I284-N367 HydrophobicContact CB-CB 4.13Å; I284-N367 HydrophobicContact CG2-CB 3.61Å; I284-N367 PolarHBondContact O-ND2 2.88Å; S285-N367 PolarHBondContact O-ND2 2.81Å; A287-N367 PolarHBondContact N-O 2.91Å; S288-N367 CarbonylContact O-C 3.58Å; S288-N367 WeakPolarHBondContact O-CA 3.28Å; S288-N367 PolarHBondContact O-N 2.8Å; N367-Y369 PolarHBondContact O-N 2.85Å; N367-S370 PolarHBondContact O-N 2.93Å; N367-S370 WeakPolarHBondContact OD1-CB 3.41Å; N367-H373 PolarHBondContact ND2-O 3.42Å; N367-K375 HydrophobicContact CB-CD 4.38Å; N367-K375 WeakPolarHBondContact OD1-CD 2.91Å; N367-K375 WeakPolarHBondContact OD1-CE 3.4Å; N367-K375 WeakPolarHBondContact OD1-CG 3.37Å; N367-K375 PolarHBondContact OD1-NZ 2.78Å
368T81.5Confident87.8Confident69 Ų6942.7 Ų42.742%0.42323%0.227SC..THydrogen-bonded Turntrans-66.7-22.5-175.553.50000114.4D366D366-T368 VanDerWaalsContact OD1-CB 3.23Å; D366-T368 WeakPolarHBondContact OD1-CB 3.33Å; D366-T368 WeakPolarHBondContact OD1-CG2 3.46Å; D366-T368 PolarHBondContact OD1-N 2.9Å; D366-T368 PolarHBondContact OD1-OG1 2.75Å; D366-T368 PolarHBondContact OD2-OG1 3.47Å
369Y78.2Confident88Confident31 Ų3139.1 Ų39.112%0.12220%0.203CC..THydrogen-bonded Turntrans-91.7-2-179.558.8-93.9000114.4D313 V314 G315 R341 D366 N367 F371D313-Y369 PolarHBondContact O-OH 2.91Å; D313-Y369 WeakPolarHBondContact OD1-CE2 3.39Å; D313-Y369 WeakPolarHBondContact OD2-CE2 3.35Å; V314-Y369 WeakPolarHBondContact CA-OH 3.15Å; V314-Y369 PolarHBondContact N-OH 2.98Å; V314-Y369 VanDerWaalsContact N-OH 3.11Å; G315-Y369 PolarHBondContact N-OH 2.61Å; R341-Y369 HydrophobicContact CG-CE1 4.13Å; R341-Y369 VanDerWaalsContact NH2-CB 3.32Å; D366-Y369 WeakPolarHBondContact O-CE1 3.46Å; N367-Y369 PolarHBondContact O-N 2.85Å; Y369-F371 WeakPolarHBondContact O-CD2 3.06Å; Y369-F371 WeakPolarHBondContact O-CE2 3.11Å; Y369-F371 PolarHBondContact O-N 2.86Å
370S76.8Confident88.1Confident18 Ų1838.4 Ų38.413%0.12620%0.195CC..  trans-78.3122177.1-177.10000111.3N367 H373 K375N367-S370 PolarHBondContact O-N 2.93Å; N367-S370 WeakPolarHBondContact OD1-CB 3.41Å; S370-H373 PolarHBondContact OG-N 3.12Å; S370-H373 PolarHBondContact OG-O 3.28Å; S370-K375 VanDerWaalsContact CB-NZ 3.28Å; S370-K375 PolarHBondContact OG-NZ 2.95Å
371F65.5Low88.2Confident187 Ų18737.4 Ų37.482%0.8219%0.19SC*.SBendtrans-80.7-22-176.7-65.5-78.7000113.8Y369Y369-F371 WeakPolarHBondContact O-CD2 3.06Å; Y369-F371 WeakPolarHBondContact O-CE2 3.11Å; Y369-F371 PolarHBondContact O-N 2.86Å
372I66.2Low88.2Confident123 Ų12339.7 Ų39.763%0.63120%0.2SC*.SBendtrans-136.1-31.9-164.1-30178.4000114.1
373H78.3Confident88.1Confident126 Ų12641.9 Ų41.958%0.58321%0.214SC*.  trans-127.3142.1-167.5-57.8-59.5000114.1N367 S370N367-H373 PolarHBondContact ND2-O 3.42Å; S370-H373 PolarHBondContact OG-N 3.12Å; S370-H373 PolarHBondContact OG-O 3.28Å
374A86.1Confident88Confident49 Ų4942.4 Ų42.441%0.40522%0.217SC..  trans-64.4151.6160.200000109.5I284I284-A374 CarbonylContact O-C 3.51Å; I284-A374 VanDerWaalsContact O-CA 3.27Å; I284-A374 WeakPolarHBondContact O-CA 3.29Å
375K88.6Confident87.9Confident5 Ų545 Ų452%0.02223%0.233CC..EExtended strand (participates in β ladder)trans-117.1130.1178.9-73.2-177.8-179.733.70110.3Q283 I284 S312 D313 N367 S370 V377Q283-K375 CarbonylContact C-O 3.59Å; Q283-K375 WeakPolarHBondContact CA-O 3.48Å; I284-K375 PolarHBondContact N-O 2.98Å; I284-K375 PolarHBondContact O-N 2.89Å; S312-K375 WeakPolarHBondContact OG-CE 3.24Å; S312-K375 PolarHBondContact OG-NZ 2.91Å; S312-K375 VanDerWaalsContact OG-NZ 3.17Å; D313-K375 WeakPolarHBondContact O-CD 3.15Å; D313-K375 WeakPolarHBondContact O-CE 3.26Å; N367-K375 HydrophobicContact CB-CD 4.38Å; N367-K375 WeakPolarHBondContact OD1-CD 2.91Å; N367-K375 WeakPolarHBondContact OD1-CE 3.4Å; N367-K375 WeakPolarHBondContact OD1-CG 3.37Å; N367-K375 PolarHBondContact OD1-NZ 2.78Å; S370-K375 VanDerWaalsContact CB-NZ 3.28Å; S370-K375 PolarHBondContact OG-NZ 2.95Å; K375-V377 HydrophobicContact CB-CG2 4.47Å
376K92.7Very high87.7Confident68 Ų6846.1 Ų46.130%0.29624%0.241SC..EExtended strand (participates in β ladder)trans-86.6125.4166-174.2166.9160.4-1350108.7S281 V282 Q283 S309 E310S281-K376 WeakPolarHBondContact OG-CE 3.47Å; V282-K376 CarbonylContact O-C 3.59Å; V282-K376 WeakPolarHBondContact O-CA 3.43Å; Q283-K376 HydrophobicContact CG-CB 4.36Å; S309-K376 WeakPolarHBondContact CA-O 3.06Å; E310-K376 HydrophobicContact CB-CB 4.34Å; E310-K376 HydrophobicContact CG-CB 4.27Å; E310-K376 PolarHBondContact N-O 3.2Å; E310-K376 WeakPolarHBondContact OE1-CD 3.36Å; E310-K376 WeakPolarHBondContact OE1-CE 3.35Å; E310-K376 IonicContact OE1-NZ 2.77Å; E310-K376 PolarHBondContact OE1-NZ 3.3Å
377V94.3Very high87.8Confident0 Ų045.8 Ų45.80%024%0.239CC..EExtended strand (participates in β ladder)trans-122.2122.1179.1-177.90000107.9S281 V282 I284 F307 M308 V314 F365 K375 F379S281-V377 WeakPolarHBondContact CA-O 3.41Å; V282-V377 HydrophobicContact CG2-CB 4.32Å; V282-V377 PolarHBondContact N-O 2.8Å; V282-V377 PolarHBondContact O-N 3.28Å; I284-V377 HydrophobicContact CD1-CB 4.35Å; I284-V377 HydrophobicContact CD1-CG2 3.75Å; I284-V377 HydrophobicContact CG1-CG2 4.29Å; F307-V377 HydrophobicContact CB-CG1 4.36Å; M308-V377 WeakPolarHBondContact O-CA 3.48Å; V314-V377 HydrophobicContact CB-CG2 4.5Å; V314-V377 HydrophobicContact CG2-CG2 3.95Å; F365-V377 HydrophobicContact CD1-CG1 3.89Å; F365-V377 HydrophobicContact CE1-CG1 4.03Å; F365-V377 HydrophobicContact CG-CG1 4.28Å; K375-V377 HydrophobicContact CB-CG2 4.47Å; V377-F379 HydrophobicContact CG1-CD1 4.38Å
378S95.2Very high87.7Confident22 Ų2252.3 Ų52.315%0.15427%0.267CS..EExtended strand (participates in β ladder)trans-102.3129.7173.5-57.30000108.5H280 F307 M308H280-S378 CarbonylContact O-C 3.53Å; H280-S378 VanDerWaalsContact O-CA 3.24Å; H280-S378 WeakPolarHBondContact O-CA 3.48Å; F307-S378 CarbonylContact C-O 3.52Å; F307-S378 WeakPolarHBondContact CA-O 3.46Å; F307-S378 WeakPolarHBondContact CB-O 2.95Å; M308-S378 PolarHBondContact N-O 3.49Å; M308-S378 PolarHBondContact O-N 3.45Å
379F95.8Very high88Confident1 Ų151.3 Ų51.30%0.00427%0.266CS..EExtended strand (participates in β ladder)trans-151.2160.6-17570.6-89.2000113.5E279 H280 V282 H290 V292 Q306 F307 F365 V377 V381E279-F379 PolarHBondContact N-O 3.17Å; H280-F379 HydrophobicContact CB-CD1 4.22Å; H280-F379 HydrophobicContact CB-CD2 4.42Å; H280-F379 HydrophobicContact CB-CE1 3.85Å; H280-F379 HydrophobicContact CB-CE2 4.08Å; H280-F379 HydrophobicContact CB-CG 4.49Å; H280-F379 HydrophobicContact CB-CZ 3.78Å; H280-F379 AromaticContact CD2-CE2 3.7Å; H280-F379 PolarHBondContact N-O 2.82Å; H280-F379 PolarHBondContact O-N 3.2Å; V282-F379 HydrophobicContact CG1-CE1 4.03Å; V282-F379 HydrophobicContact CG2-CD1 4.41Å; V282-F379 HydrophobicContact CG2-CE1 3.86Å; H290-F379 AromaticContact NE2-CZ 3.9Å; V292-F379 HydrophobicContact CG1-CE2 3.91Å; V292-F379 HydrophobicContact CG1-CZ 3.79Å; V292-F379 HydrophobicContact CG2-CE2 4.35Å; Q306-F379 CarbonylContact O-C 3.37Å; Q306-F379 WeakPolarHBondContact O-CA 3.38Å; Q306-F379 WeakPolarHBondContact O-CB 3.36Å; F307-F379 HydrophobicContact CB-CB 3.6Å; F365-F379 HydrophobicContact CD2-CD1 4.41Å; F365-F379 HydrophobicContact CD2-CE1 4.47Å; F365-F379 HydrophobicContact CE2-CB 4.21Å; F365-F379 AromaticContact CE2-CD1 3.76Å; F365-F379 HydrophobicContact CE2-CD1 3.76Å; F365-F379 AromaticContact CE2-CD2 3.91Å; F365-F379 HydrophobicContact CE2-CD2 3.91Å; F365-F379 HydrophobicContact CE2-CE1 4.04Å; F365-F379 HydrophobicContact CE2-CE2 4.17Å; F365-F379 AromaticContact CE2-CG 3.69Å; F365-F379 HydrophobicContact CE2-CG 3.69Å; F365-F379 HydrophobicContact CE2-CZ 4.23Å; F365-F379 HydrophobicContact CZ-CB 3.72Å; F365-F379 HydrophobicContact CZ-CD1 4.12Å; F365-F379 HydrophobicContact CZ-CD2 4.15Å; F365-F379 AromaticContact CZ-CG 3.74Å; F365-F379 HydrophobicContact CZ-CG 3.74Å; V377-F379 HydrophobicContact CG1-CD1 4.38Å; F379-V381 HydrophobicContact CD2-CG2 3.99Å; F379-V381 HydrophobicContact CE2-CG2 4.39Å
380T95.7Very high88.3Confident10 Ų1050 Ų506%0.06126%0.262CS..EExtended strand (participates in β ladder)trans-135.7136.4170.9-580000107.9Y278 E279 W305 Q306 E382Y278-T380 WeakPolarHBondContact CA-OG1 3.42Å; E279-T380 HydrophobicContact CB-CG2 4.25Å; E279-T380 PolarHBondContact N-OG1 3.34Å; W305-T380 CarbonylContact C-O 3.51Å; W305-T380 VanDerWaalsContact CA-O 3.31Å; W305-T380 WeakPolarHBondContact CA-O 3.23Å; Q306-T380 PolarHBondContact N-O 3.01Å; Q306-T380 PolarHBondContact O-N 2.96Å; T380-E382 HydrophobicContact CG2-CG 4.18Å
381V95.4Very high88.8Confident5 Ų552.9 Ų52.93%0.0327%0.273CS..EExtended strand (participates in β ladder)trans-133.2128.6174.7-179.30000108.8V292 Y294 L303 R304 W305 L363 F379V292-V381 HydrophobicContact CG2-CG2 4.4Å; Y294-V381 HydrophobicContact CD2-CG1 4.14Å; Y294-V381 HydrophobicContact CE1-CG1 4.47Å; Y294-V381 HydrophobicContact CE2-CB 3.91Å; Y294-V381 HydrophobicContact CE2-CG1 3.46Å; Y294-V381 VanDerWaalsContact CE2-CG1 3.46Å; Y294-V381 WeakPolarHBondContact OH-CB 3.22Å; Y294-V381 PolarHBondContact OH-O 3.24Å; Y294-V381 VanDerWaalsContact OH-O 3.12Å; L303-V381 HydrophobicContact CD2-CG1 4.21Å; R304-V381 CarbonylContact O-C 3.6Å; R304-V381 WeakPolarHBondContact O-CA 3.26Å; W305-V381 HydrophobicContact CB-CG2 3.94Å; L363-V381 HydrophobicContact CD1-CG1 4.1Å; L363-V381 HydrophobicContact CD2-CB 4.44Å; L363-V381 HydrophobicContact CD2-CG1 3.69Å; L363-V381 HydrophobicContact CD2-CG2 3.81Å; F379-V381 HydrophobicContact CD2-CG2 3.99Å; F379-V381 HydrophobicContact CE2-CG2 4.39Å
382E94.8Very high89.8Confident51 Ų5149.6 Ų49.624%0.23826%0.26CS..EExtended strand (participates in β ladder)trans-126.7140.1-177-67.9161.3129.100109.6K165 R304 T380 L384K165-E382 IonicContact NZ-OE1 2.68Å; K165-E382 PolarHBondContact NZ-OE1 2.96Å; K165-E382 IonicContact NZ-OE2 2.75Å; R304-E382 IonicContact CZ-OE2 3.61Å; R304-E382 PolarHBondContact N-O 2.89Å; R304-E382 IonicContact NE-OE2 2.64Å; R304-E382 PolarHBondContact NE-OE2 2.82Å; R304-E382 IonicContact NH2-OE1 3.6Å; R304-E382 PolarHBondContact NH2-OE1 3.41Å; R304-E382 IonicContact NH2-OE2 2.67Å; R304-E382 PolarHBondContact NH2-OE2 2.92Å; R304-E382 PolarHBondContact O-N 2.89Å; T380-E382 HydrophobicContact CG2-CG 4.18Å; E382-L384 HydrophobicContact CB-CD2 3.88Å
383V94.6Very high90.6Very high47 Ų4748.8 Ų48.829%0.28525%0.252SS..EExtended strand (participates in β ladder)trans-99.4114168.6-179.20000107.9Y294 I296 C301 L303 L385Y294-V383 HydrophobicContact CD1-CG2 3.43Å; Y294-V383 VanDerWaalsContact CD1-CG2 3.43Å; Y294-V383 HydrophobicContact CE1-CG2 4.02Å; Y294-V383 HydrophobicContact CG-CG2 4.07Å; I296-V383 HydrophobicContact CD1-CG1 3.85Å; I296-V383 HydrophobicContact CD1-CG2 4.04Å; C301-V383 HydrophobicContact CB-CG1 4.13Å; L303-V383 HydrophobicContact CD2-CG2 3.76Å; V383-L385 HydrophobicContact CG1-CD2 3.95Å
384L94.2Very high90.9Very high11 Ų1143 Ų436%0.05823%0.225CC..EExtended strand (participates in β ladder)trans-93.7112-180-40.7178.7000108.4L163 V200 L204 C301 V302 R304 E382L163-L384 HydrophobicContact CB-CD1 4.44Å; L163-L384 HydrophobicContact CD1-CD1 4.27Å; V200-L384 HydrophobicContact CG1-CB 3.66Å; L204-L384 HydrophobicContact CD1-CD1 4.08Å; L204-L384 HydrophobicContact CD2-CB 4.4Å; L204-L384 HydrophobicContact CD2-CD1 4.34Å; L204-L384 HydrophobicContact CD2-CD2 3.89Å; L204-L384 HydrophobicContact CD2-CG 4.42Å; C301-L384 VanDerWaalsContact CA-O 3.31Å; C301-L384 WeakPolarHBondContact CA-O 3.32Å; C301-L384 WeakPolarHBondContact CB-O 3.41Å; V302-L384 HydrophobicContact CB-CB 4.21Å; V302-L384 HydrophobicContact CB-CD1 4.37Å; V302-L384 HydrophobicContact CB-CG 4.5Å; V302-L384 HydrophobicContact CG1-CD1 4.23Å; V302-L384 PolarHBondContact N-O 2.75Å; V302-L384 PolarHBondContact O-N 3.38Å; R304-L384 HydrophobicContact CB-CD1 3.94Å; R304-L384 HydrophobicContact CB-CD2 4.45Å; R304-L384 HydrophobicContact CB-CG 4.2Å; E382-L384 HydrophobicContact CB-CD2 3.88Å
385L93.1Very high90.7Very high101 Ų10145.7 Ų45.753%0.52923%0.233SC..  trans-87.1144.5-176.9-60.8176.3000111.3N203 C301 V383N203-L385 WeakPolarHBondContact CB-O 3.16Å; N203-L385 PolarHBondContact ND2-O 2.87Å; C301-L385 HydrophobicContact CB-CD2 4.03Å; V383-L385 HydrophobicContact CG1-CD2 3.95Å
386P91.8Very high90.2Very high25 Ų2553 Ų5316%0.16227%0.268CS..  trans-69144.617129-33.4000111.6P199 V200 K388P199-P386 HydrophobicContact CB-CB 3.81Å; V200-P386 HydrophobicContact CG2-CB 3.94Å; P386-K388 PolarHBondContact O-N 2.78Å
387D92.9Very high89Confident13 Ų1353.7 Ų53.77%0.0727%0.272CS..  trans-72.8110.1166.8-178.8-103.2000109.9P199 Y202 N203 K206 A389 A390 E391P199-D387 PolarHBondContact O-N 3.16Å; Y202-D387 HydrophobicContact CD1-CB 4.07Å; N203-D387 HydrophobicContact CB-CB 3.92Å; K206-D387 IonicContact NZ-OD2 2.82Å; K206-D387 PolarHBondContact NZ-OD2 3.16Å; D387-A389 VanDerWaalsContact C-N 3.27Å; D387-A389 PolarHBondContact O-N 2.95Å; D387-A389 PolarHBondContact OD1-N 3.46Å; D387-A390 HydrophobicContact CB-CB 4.05Å; D387-A390 PolarHBondContact O-N 2.97Å; D387-A390 VanDerWaalsContact OD1-CB 3.3Å; D387-A390 WeakPolarHBondContact OD1-CB 3.27Å; D387-A390 PolarHBondContact OD1-N 3.21Å; D387-E391 PolarHBondContact O-N 3Å
388K89.1Confident87.6Confident136 Ų13655.9 Ų55.959%0.59129%0.294SS*.Hα-helixtrans-56.6-39-176.4-66.8-170.9176.4-173.50113.2P386 E391 E392P386-K388 PolarHBondContact O-N 2.78Å; K388-E391 PolarHBondContact O-N 3.15Å; K388-E392 WeakPolarHBondContact O-CG 3.35Å; K388-E392 PolarHBondContact O-N 2.84Å
389A87.8Confident85.7Confident49 Ų4955.2 Ų55.241%0.40529%0.29SS..Hα-helixtrans-69.1-38.8-178.800000112.2D387 K393D387-A389 VanDerWaalsContact C-N 3.27Å; D387-A389 PolarHBondContact O-N 2.95Å; D387-A389 PolarHBondContact OD1-N 3.46Å; A389-K393 WeakPolarHBondContact O-CG 3.5Å; A389-K393 PolarHBondContact O-N 2.93Å; A389-K393 VanDerWaalsContact O-N 3.12Å
390A85.6Confident83.6Confident4 Ų457.7 Ų57.73%0.03331%0.305CS..Hα-helixtrans-65.8-41.8173.200000111.6F198 P199 Y202 D387 K393 M394F198-A390 HydrophobicContact CE1-CB 4.27Å; P199-A390 HydrophobicContact CB-CB 4.34Å; Y202-A390 HydrophobicContact CD1-CB 3.82Å; Y202-A390 HydrophobicContact CE1-CB 4.41Å; D387-A390 HydrophobicContact CB-CB 4.05Å; D387-A390 PolarHBondContact O-N 2.97Å; D387-A390 VanDerWaalsContact OD1-CB 3.3Å; D387-A390 WeakPolarHBondContact OD1-CB 3.27Å; D387-A390 PolarHBondContact OD1-N 3.21Å; A390-K393 PolarHBondContact O-N 3.37Å; A390-M394 WeakPolarHBondContact O-CG 3.45Å; A390-M394 PolarHBondContact O-N 2.87Å
391E86.7Confident81.1Confident78 Ų7861 Ų6136%0.36433%0.325SS..Hα-helixtrans-60.2-47.6176.2-174.3174.1-156.100112P199 D387 K388 K393 M394 N395P199-E391 HydrophobicContact CB-CB 4.13Å; P199-E391 HydrophobicContact CG-CB 3.93Å; D387-E391 PolarHBondContact O-N 3Å; K388-E391 PolarHBondContact O-N 3.15Å; E391-K393 PolarHBondContact O-N 3.08Å; E391-M394 PolarHBondContact O-N 3.33Å; E391-N395 VanDerWaalsContact O-CG 3.31Å; E391-N395 PolarHBondContact O-N 3.28Å; E391-N395 PolarHBondContact O-ND2 2.87Å
392E86.4Confident78.3Confident117 Ų11766.4 Ų66.455%0.54736%0.361SS..Hα-helixtrans-59.1-45.3175.7-75.1172.6-170.200112.3K388 M394 N395 Q396K388-E392 WeakPolarHBondContact O-CG 3.35Å; K388-E392 PolarHBondContact O-N 2.84Å; E392-M394 PolarHBondContact O-N 2.98Å; E392-N395 PolarHBondContact O-N 2.86Å; E392-Q396 WeakPolarHBondContact O-CG 3.42Å; E392-Q396 PolarHBondContact O-N 2.8Å
393K83.1Confident75.4Confident106 Ų10677 Ų7746%0.46141%0.406SS..Hα-helixtrans-60.8-43.5177.3-77.3177.9179.8-177.40112.1A389 A390 E391 N395 Q396 Q397A389-K393 WeakPolarHBondContact O-CG 3.5Å; A389-K393 PolarHBondContact O-N 2.93Å; A389-K393 VanDerWaalsContact O-N 3.12Å; A390-K393 PolarHBondContact O-N 3.37Å; E391-K393 PolarHBondContact O-N 3.08Å; K393-N395 VanDerWaalsContact C-N 3.34Å; K393-N395 PolarHBondContact O-N 2.76Å; K393-Q396 PolarHBondContact O-N 3.42Å; K393-Q397 WeakPolarHBondContact O-CB 3.34Å; K393-Q397 WeakPolarHBondContact O-CG 3.34Å; K393-Q397 PolarHBondContact O-N 2.96Å; K393-Q397 VanDerWaalsContact O-N 3.12Å
394M84.2Confident74.4Confident4 Ų478.5 Ų78.52%0.0241%0.412CS..Hα-helixtrans-63.6-40.8178-75.2-176.567.700112.1A194 P195 F198 P199 V219 A390 E391 E392 Q397 G398 A399A194-M394 HydrophobicContact CB-CE 3.84Å; A194-M394 HydrophobicContact CB-SD 4.35Å; A194-M394 WeakPolarHBondContact O-CE 3.03Å; P195-M394 WeakPolarHBondContact O-CE 3.48Å; F198-M394 HydrophobicContact CB-CE 4.34Å; F198-M394 HydrophobicContact CB-SD 3.89Å; F198-M394 HydrophobicContact CD1-SD 3.62Å; F198-M394 HydrophobicContact CG-SD 4.14Å; P199-M394 HydrophobicContact CG-SD 3.89Å; V219-M394 HydrophobicContact CG1-CG 3.85Å; A390-M394 WeakPolarHBondContact O-CG 3.45Å; A390-M394 PolarHBondContact O-N 2.87Å; E391-M394 PolarHBondContact O-N 3.33Å; E392-M394 PolarHBondContact O-N 2.98Å; M394-Q397 PolarHBondContact O-N 3.18Å; M394-G398 PolarHBondContact O-N 2.96Å; M394-A399 HydrophobicContact CB-CB 4.3Å; M394-A399 HydrophobicContact CE-CB 4.39Å; M394-A399 HydrophobicContact CG-CB 4.35Å; M394-A399 PolarHBondContact O-N 2.77Å; M394-A399 VanDerWaalsContact O-N 3.14Å
395N81.7Confident73.4Confident106 Ų10682 Ų8257%0.56743%0.43SS*.Hα-helixtrans-65.3-40.4177.4-71.4-21.1000111.8E391 E392 K393 Q397E391-N395 VanDerWaalsContact O-CG 3.31Å; E391-N395 PolarHBondContact O-N 3.28Å; E391-N395 PolarHBondContact O-ND2 2.87Å; E392-N395 PolarHBondContact O-N 2.86Å; K393-N395 VanDerWaalsContact C-N 3.34Å; K393-N395 PolarHBondContact O-N 2.76Å; N395-Q397 PolarHBondContact O-N 3.04Å
396Q78.9Confident72.3Confident159 Ų15980.9 Ų80.974%0.74343%0.425SS*.Hα-helixtrans-67.4-33.4177.8-72.1173.314.100113.3E392 K393E392-Q396 WeakPolarHBondContact O-CG 3.42Å; E392-Q396 PolarHBondContact O-N 2.8Å; K393-Q396 PolarHBondContact O-N 3.42Å
397Q68.4Low71.2Confident83 Ų8384.2 Ų84.239%0.38844%0.44SS..THydrogen-bonded Turntrans-92.60.9-175.6-67.6176.1-19.200113.9V219 G221 K393 M394 N395 A399V219-Q397 VanDerWaalsContact C-OE1 3.26Å; V219-Q397 VanDerWaalsContact O-CD 3.28Å; V219-Q397 PolarHBondContact O-NE2 3.44Å; V219-Q397 VanDerWaalsContact O-NE2 3.08Å; V219-Q397 PolarHBondContact O-OE1 2.63Å; G221-Q397 VanDerWaalsContact CA-O 3.24Å; G221-Q397 WeakPolarHBondContact CA-O 3.14Å; K393-Q397 WeakPolarHBondContact O-CB 3.34Å; K393-Q397 WeakPolarHBondContact O-CG 3.34Å; K393-Q397 PolarHBondContact O-N 2.96Å; K393-Q397 VanDerWaalsContact O-N 3.12Å; M394-Q397 PolarHBondContact O-N 3.18Å; N395-Q397 PolarHBondContact O-N 3.04Å; Q397-A399 PolarHBondContact O-N 3.25Å
398G63.5Low69.8Low46 Ų4688.7 Ų88.747%0.47446%0.464SS..THydrogen-bonded Turntrans60.229.7-175.700000112.8M394 V400M394-G398 PolarHBondContact O-N 2.96Å; G398-V400 PolarHBondContact O-N 2.68Å; G398-V400 VanDerWaalsContact O-N 3.12Å
399A56.5Low68.5Low7 Ų785.5 Ų85.56%0.05846%0.455CS..  trans-72.31-175.800000113.8M394 Q397 T401M394-A399 HydrophobicContact CB-CB 4.3Å; M394-A399 HydrophobicContact CE-CB 4.39Å; M394-A399 HydrophobicContact CG-CB 4.35Å; M394-A399 PolarHBondContact O-N 2.77Å; M394-A399 VanDerWaalsContact O-N 3.14Å; Q397-A399 PolarHBondContact O-N 3.25Å; A399-T401 PolarHBondContact O-N 2.91Å; A399-T401 VanDerWaalsContact O-N 3.16Å
400V50.7Low67.1Low53 Ų5388.1 Ų88.132%0.32146%0.459SS..  trans-81.797.8-174.4-173.70000109.7K196 G398K196-V400 HydrophobicContact CD-CG1 4.25Å; K196-V400 HydrophobicContact CG-CG1 3.89Å; G398-V400 PolarHBondContact O-N 2.68Å; G398-V400 VanDerWaalsContact O-N 3.12Å
401T43.5Very low65.7Low80 Ų8094.6 Ų94.649%0.49149%0.491SS..  trans-65.7131.7162.611.80000109.4A399A399-T401 PolarHBondContact O-N 2.91Å; A399-T401 VanDerWaalsContact O-N 3.16Å
402P35.8Very low63.9Low119 Ų11996 Ų9677%0.77350%0.502SS*.  trans-59.6150.6169.3-17.930.3000110.8
403K34.6Very low61.9Low272 Ų27294.1 Ų94.1100%1.18350%0.498SS*.  trans-54.90-177.2-79.4-174.1175.2-177.10113.7

Retrieved 403 of 403 residues in 490.6 ms (Link to these results)

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