A0A093HER7_STRCA Loading...

palmitoyl-protein hydrolase

AlphaFold DB , UniProt , Accession A0A093HER7, Species STRCA (Struthio camelus australis), Gene n/a, Length 232 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
1M33.3Very low57.7Low244 Ų244107.8 Ų107.8100%1.20264%0.635SS**  0105.10-68.7-168.7-126.800107.1G3M1-G3 PolarHBondContact O-N 3.41Å
2C38.1Very low60Low139 Ų139105.9 Ų105.994%0.93964%0.64SS**  trans-74.6105.4178.6-66.30000107.9N4C2-N4 PolarHBondContact O-N 3.2Å
3G37Very low62.2Low65 Ų65106.7 Ų106.767%0.6764%0.639SS**  trans-62.1128.5171.900000109.2M1 N5M1-G3 PolarHBondContact O-N 3.41Å; G3-N5 PolarHBondContact O-N 2.91Å
4N36.3Very low64.5Low163 Ų163100.4 Ų100.487%0.87260%0.604SS**  trans-59.699168.8-116.91.9000107.8C2 M6C2-N4 PolarHBondContact O-N 3.2Å; N4-M6 PolarHBondContact O-N 2.9Å
5N41.3Very low66.7Low143 Ų14395.9 Ų95.977%0.76558%0.577SS**  trans-66.789.9165.7-92.3-2000107G3 S7G3-N5 PolarHBondContact O-N 2.91Å; N5-S7 VanDerWaalsContact C-N 3.32Å; N5-S7 PolarHBondContact O-N 2.93Å
6M50.3Low68.6Low151 Ų15193.9 Ų93.974%0.74457%0.566SS**  trans-58.9104.7158.5-77.4-118-70.300106.2N4 V8N4-M6 PolarHBondContact O-N 2.9Å; M6-V8 PolarHBondContact O-N 2.75Å; M6-V8 VanDerWaalsContact O-N 3.09Å
7S64Low70.3Confident103 Ų10389.4 Ų89.472%0.7254%0.539SS*.  trans-60.3114.5175.454.70000107.9N5 P9N5-S7 VanDerWaalsContact C-N 3.32Å; N5-S7 PolarHBondContact O-N 2.93Å; S7-P9 VanDerWaalsContact O-CD 3.25Å; S7-P9 WeakPolarHBondContact O-CD 3.29Å
8V81.8Confident71.8Confident21 Ų2188.3 Ų88.313%0.12754%0.536CS..  trans-84.5106.7168.4179.20000106.1M6 L10 L11 A12 A101 I102 H105M6-V8 PolarHBondContact O-N 2.75Å; M6-V8 VanDerWaalsContact O-N 3.09Å; V8-L10 VanDerWaalsContact C-N 3.26Å; V8-L10 PolarHBondContact O-N 2.8Å; V8-L11 HydrophobicContact CB-CB 4.11Å; V8-L11 HydrophobicContact CB-CD1 3.88Å; V8-L11 HydrophobicContact CB-CG 4.21Å; V8-L11 HydrophobicContact CG1-CB 4.29Å; V8-L11 HydrophobicContact CG1-CD1 4.09Å; V8-L11 HydrophobicContact CG1-CG 4.09Å; V8-L11 HydrophobicContact CG2-CD1 4.26Å; V8-L11 WeakPolarHBondContact O-CB 3.44Å; V8-L11 PolarHBondContact O-N 3.02Å; V8-A12 PolarHBondContact O-N 3.31Å; V8-A101 HydrophobicContact CG1-CB 4.29Å; V8-I102 HydrophobicContact CG1-CG1 3.78Å; V8-H105 HydrophobicContact CG2-CB 3.92Å
9P82.6Confident72.9Confident97 Ų9784.6 Ų84.663%0.6352%0.517SS*.Hα-helixtrans-59-38.2-167.1-26.636.8000113.1S7 L11 A12S7-P9 VanDerWaalsContact O-CD 3.25Å; S7-P9 WeakPolarHBondContact O-CD 3.29Å; P9-L11 PolarHBondContact O-N 3.31Å; P9-A12 WeakPolarHBondContact O-CB 3.49Å; P9-A12 PolarHBondContact O-N 3.45Å
10L84.4Confident74Confident26 Ų2684.3 Ų84.314%0.13652%0.524CS..Hα-helixtrans-67-21.5178.1-66.2-178.4000114V8 A14 P57 H58 W75 N98 I99 I102V8-L10 VanDerWaalsContact C-N 3.26Å; V8-L10 PolarHBondContact O-N 2.8Å; L10-A14 WeakPolarHBondContact O-CB 3.25Å; L10-P57 HydrophobicContact CB-CB 4.3Å; L10-H58 WeakPolarHBondContact CD2-O 3.13Å; L10-W75 HydrophobicContact CD1-CZ3 4.1Å; L10-N98 HydrophobicContact CD1-CB 3.65Å; L10-I99 HydrophobicContact CD1-CD1 4.05Å; L10-I102 HydrophobicContact CB-CD1 4Å; L10-I102 HydrophobicContact CD1-CD1 4.38Å
11L86.2Confident75.1Confident34 Ų3483.8 Ų83.818%0.17852%0.515CS..Hα-helixtrans-80-28.9175.9-85.7175.2000112.4V8 P9 D13 A14 I55 I102 H105V8-L11 HydrophobicContact CB-CB 4.11Å; V8-L11 HydrophobicContact CB-CD1 3.88Å; V8-L11 HydrophobicContact CB-CG 4.21Å; V8-L11 HydrophobicContact CG1-CB 4.29Å; V8-L11 HydrophobicContact CG1-CD1 4.09Å; V8-L11 HydrophobicContact CG1-CG 4.09Å; V8-L11 HydrophobicContact CG2-CD1 4.26Å; V8-L11 WeakPolarHBondContact O-CB 3.44Å; V8-L11 PolarHBondContact O-N 3.02Å; P9-L11 PolarHBondContact O-N 3.31Å; L11-D13 PolarHBondContact O-N 3.21Å; L11-A14 PolarHBondContact O-N 2.92Å; L11-I55 HydrophobicContact CD2-CD1 4.33Å; L11-I55 HydrophobicContact CD2-CG2 3.63Å; L11-I102 HydrophobicContact CD1-CG2 4.13Å; L11-I102 HydrophobicContact CD2-CG2 3.87Å; L11-I102 HydrophobicContact CG-CG1 4.14Å; L11-I102 HydrophobicContact CG-CG2 4.01Å; L11-H105 HydrophobicContact CD1-CB 3.88Å; L11-H105 VanDerWaalsContact CD1-CG 3.49Å; L11-H105 VanDerWaalsContact CD1-ND1 3.27Å; L11-H105 WeakPolarHBondContact CD1-ND1 3.3Å
12A84.8Confident78.1Confident85 Ų8582.7 Ų82.770%0.70250%0.498SS*.Hα-helixtrans-62.1-36-177.700000112.1V8 P9V8-A12 PolarHBondContact O-N 3.31Å; P9-A12 WeakPolarHBondContact O-CB 3.49Å; P9-A12 PolarHBondContact O-N 3.45Å
13D88.7Confident80.9Confident116 Ų11678.9 Ų78.962%0.6247%0.466SS*.THydrogen-bonded Turntrans-106.211.6-178.7-58.4-40.3000112.6L11 H58L11-D13 PolarHBondContact O-N 3.21Å; D13-H58 PolarHBondContact O-CD2 3.4Å; D13-H58 PolarHBondContact O-NE2 3Å
14A95.1Very high83.9Confident19 Ų1977.1 Ų77.116%0.15744%0.443CS..  trans-75.8139.9-179.100000112L10 L11 T16 I55 P57L10-A14 WeakPolarHBondContact O-CB 3.25Å; L11-A14 PolarHBondContact O-N 2.92Å; A14-T16 PolarHBondContact O-N 3.02Å; A14-I55 HydrophobicContact CB-CG2 3.94Å; A14-P57 HydrophobicContact CB-CB 4.26Å
15V97.3Very high86.8Confident32 Ų3269.4 Ų69.419%0.19440%0.401CS..EExtended strand (participates in β ladder)trans-80.7118.1167.2-175.30000107.7H38 A41 C56 H58V15-H38 WeakPolarHBondContact CG2-NE2 3.49Å; V15-A41 HydrophobicContact CB-CB 4.05Å; V15-A41 HydrophobicContact CG1-CB 3.4Å; V15-C56 HydrophobicContact CB-CB 4.46Å; V15-C56 PolarHBondContact N-O 3.1Å; V15-C56 WeakPolarHBondContact O-CA 3.45Å; V15-C56 WeakPolarHBondContact O-CB 3.43Å; V15-C56 PolarHBondContact O-N 3.2Å; V15-H58 VanDerWaalsContact CG2-CE1 3.46Å; V15-H58 WeakPolarHBondContact CG2-CE1 3.38Å
16T97.4Very high89.6Confident64 Ų6462.6 Ų62.639%0.39337%0.365SS..EExtended strand (participates in β ladder)trans-113.3121.2-179.2-57.70000110.5A14 Y54 I55A14-T16 PolarHBondContact O-N 3.02Å; T16-Y54 CarbonylContact C-O 3.43Å; T16-Y54 VanDerWaalsContact CA-O 3.32Å; T16-Y54 WeakPolarHBondContact CA-O 3.28Å; T16-I55 HydrophobicContact CG2-CG1 4.29Å
17V97.4Very high91.9Very high18 Ų1855.5 Ų55.511%0.10933%0.33CS..EExtended strand (participates in β ladder)trans-89.2103.7167.8-172.10000107.6A41 K53 Y54V17-A41 HydrophobicContact CG2-CB 3.8Å; V17-A41 WeakPolarHBondContact CG2-O 2.81Å; V17-K53 WeakPolarHBondContact O-CA 3.35Å; V17-Y54 HydrophobicContact CB-CD2 4.39Å; V17-Y54 PolarHBondContact N-O 3.38Å; V17-Y54 PolarHBondContact O-N 2.91Å
18S96.2Very high93.5Very high69 Ų6950.6 Ų50.648%0.48330%0.296SS..  trans-70.4152.2178.7-61.90000112.6E23S18-E23 WeakPolarHBondContact CA-OE1 3.29Å; S18-E23 WeakPolarHBondContact CB-OE1 3.34Å
19G93.3Very high94.4Very high18 Ų1849.7 Ų49.719%0.18629%0.29CS..  trans-63.8155.7167.100000111.7E21 E23 P50G19-E21 VanDerWaalsContact C-N 3.3Å; G19-E23 PolarHBondContact N-OE1 3.1Å; G19-E23 VanDerWaalsContact N-OE1 3.07Å; G19-P50 CarbonylContact C-O 3.58Å; G19-P50 WeakPolarHBondContact CA-O 3.34Å
20A94.9Very high95.1Very high79 Ų7945.1 Ų45.165%0.65326%0.26SS*.SBendtrans-80.8-15.7168.700000112.3P50A20-P50 HydrophobicContact CB-CB 4.18Å; A20-P50 PolarHBondContact N-O 3.46Å
21E96Very high95.8Very high74 Ų7443.9 Ų43.935%0.34625%0.254SS..SBendtrans-120.3-178.2178.3-63.9178-164.700110.5G19 E23 P50 R231G19-E21 VanDerWaalsContact C-N 3.3Å; E21-E23 PolarHBondContact O-N 3.17Å; E21-E23 VanDerWaalsContact O-N 3.16Å; E21-P50 HydrophobicContact CG-CB 4.04Å; E21-P50 PolarHBondContact N-O 3.45Å; E21-R231 IonicContact OE1-CZ 2.74Å; E21-R231 IonicContact OE1-NH1 3.22Å; E21-R231 IonicContact OE1-NH2 3.87Å; E21-R231 PolarHBondContact OE1-NH2 2.91Å; E21-R231 IonicContact OE2-CZ 3.66Å; E21-R231 IonicContact OE2-NE 3.56Å; E21-R231 PolarHBondContact OE2-NE 2.87Å; E21-R231 IonicContact OE2-NH2 2.56Å; E21-R231 PolarHBondContact OE2-NH2 3.17Å
22R96.3Very high96.4Very high221 Ų22142.4 Ų42.483%0.83425%0.247SC*.  trans-56.2123.1170.3-179.5178.8177.6178.3-1.2109.8T24R22-T24 PolarHBondContact O-N 2.67Å
23E98.4Very high97Very high58 Ų5840.7 Ų40.727%0.27123%0.225SC..  trans-72.3117.7-179.4-59.3170.5157.600109.7S18 G19 E21 K53S18-E23 WeakPolarHBondContact CA-OE1 3.29Å; S18-E23 WeakPolarHBondContact CB-OE1 3.34Å; G19-E23 PolarHBondContact N-OE1 3.1Å; G19-E23 VanDerWaalsContact N-OE1 3.07Å; E21-E23 PolarHBondContact O-N 3.17Å; E21-E23 VanDerWaalsContact O-N 3.16Å; E23-K53 HydrophobicContact CB-CB 4.47Å; E23-K53 HydrophobicContact CB-CD 4.23Å; E23-K53 VanDerWaalsContact CD-CB 3.49Å; E23-K53 HydrophobicContact CG-CB 4.03Å; E23-K53 HydrophobicContact CG-CD 4.35Å; E23-K53 WeakPolarHBondContact OE1-CB 3.44Å; E23-K53 WeakPolarHBondContact OE2-CD 3.45Å; E23-K53 IonicContact OE2-NZ 3.95Å
24T98.5Very high97.4Very high29 Ų2937.1 Ų37.118%0.17822%0.217CC..  trans-116.30.7178.761.70000112.5R22 Y51 R115 I232R22-T24 PolarHBondContact O-N 2.67Å; T24-Y51 PolarHBondContact N-O 3.2Å; T24-R115 WeakPolarHBondContact O-CB 3.48Å; T24-R115 PolarHBondContact O-NE 3.17Å; T24-R115 PolarHBondContact OG1-NH2 3.06Å; T24-I232 HydrophobicContact CG2-CG1 4.14Å
25A98.8Very high97.5Very high0 Ų038.4 Ų38.40%022%0.221CC..EExtended strand (participates in β ladder)trans-154.7159.8-179.900000110.9Y51 V52 K53 R115 L229A25-Y51 PolarHBondContact N-O 2.87Å; A25-V52 HydrophobicContact CB-CG1 4.47Å; A25-V52 HydrophobicContact CB-CG2 4.06Å; A25-V52 WeakPolarHBondContact O-CA 3.26Å; A25-K53 PolarHBondContact O-N 3.16Å; A25-R115 VanDerWaalsContact CA-O 3.26Å; A25-R115 WeakPolarHBondContact CA-O 3.44Å; A25-R115 HydrophobicContact CB-CB 4.12Å; A25-R115 VanDerWaalsContact CB-O 3.3Å; A25-R115 WeakPolarHBondContact CB-O 3.36Å; A25-L229 HydrophobicContact CB-CB 4.18Å; A25-L229 HydrophobicContact CB-CD1 3.89Å; A25-L229 HydrophobicContact CB-CD2 3.94Å; A25-L229 HydrophobicContact CB-CG 4.22Å
26A98.8Very high97.4Very high0 Ų039.4 Ų39.40%023%0.227CC..EExtended strand (participates in β ladder)trans-134.3145.7178.400000112K53 I111 R115 I116 I117A26-K53 CarbonylContact C-O 3.56Å; A26-K53 VanDerWaalsContact CA-O 3.32Å; A26-K53 WeakPolarHBondContact CA-O 3.48Å; A26-K53 HydrophobicContact CB-CG 3.87Å; A26-I111 HydrophobicContact CB-CD1 4.04Å; A26-I111 HydrophobicContact CB-CG2 4.37Å; A26-R115 PolarHBondContact N-O 3.16Å; A26-I116 HydrophobicContact CB-CG1 4.44Å; A26-I116 VanDerWaalsContact O-CA 3.32Å; A26-I116 WeakPolarHBondContact O-CA 3.43Å; A26-I117 PolarHBondContact O-N 3.37Å
27V98.9Very high97.3Very high2 Ų236.4 Ų36.41%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-113.4122.6162-178.20000107.2V52 K53 Y54 I55 I117 I225 L229V27-V52 HydrophobicContact CG2-CG1 3.78Å; V27-K53 PolarHBondContact N-O 3.43Å; V27-Y54 HydrophobicContact CB-CD1 3.66Å; V27-Y54 HydrophobicContact CB-CE1 4.08Å; V27-Y54 HydrophobicContact CB-CG 4.39Å; V27-Y54 HydrophobicContact CG1-CD1 4.17Å; V27-Y54 HydrophobicContact CG2-CD1 3.89Å; V27-Y54 HydrophobicContact CG2-CE1 3.75Å; V27-Y54 CarbonylContact O-C 3.55Å; V27-Y54 WeakPolarHBondContact O-CA 3.38Å; V27-I55 PolarHBondContact O-N 2.93Å; V27-I117 WeakPolarHBondContact CA-O 3.27Å; V27-I117 HydrophobicContact CG1-CG2 4.43Å; V27-I117 HydrophobicContact CG2-CB 4.29Å; V27-I225 HydrophobicContact CG2-CD1 4.13Å; V27-I225 HydrophobicContact CG2-CG1 4.45Å; V27-I225 HydrophobicContact CG2-CG2 4.25Å; V27-L229 HydrophobicContact CG2-CD1 4.42Å
28I98.9Very high97.3Very high0 Ų040.3 Ų40.30%023%0.226CC..EExtended strand (participates in β ladder)trans-100.2116.5170.4-59.8162000106.3L30 I55 I102 I103 I116 I117 L118 G119I28-L30 HydrophobicContact CG2-CD2 4.15Å; I28-I55 CarbonylContact C-O 3.56Å; I28-I55 WeakPolarHBondContact CA-O 3.31Å; I28-I55 HydrophobicContact CG1-CB 4.42Å; I28-I55 HydrophobicContact CG1-CD1 4.19Å; I28-I102 HydrophobicContact CD1-CB 4.3Å; I28-I102 HydrophobicContact CD1-CG2 3.66Å; I28-I102 HydrophobicContact CG1-CG2 4.08Å; I28-I102 HydrophobicContact CG2-CG2 4.44Å; I28-I103 HydrophobicContact CD1-CG1 3.72Å; I28-I116 HydrophobicContact CD1-CG2 3.93Å; I28-I116 HydrophobicContact CG1-CG2 4.46Å; I28-I117 PolarHBondContact N-O 2.95Å; I28-L118 HydrophobicContact CB-CD1 3.75Å; I28-L118 HydrophobicContact CG2-CD1 3.77Å; I28-G119 PolarHBondContact O-N 2.84Å
29F98.9Very high97.2Very high3 Ų339.9 Ų39.91%0.01322%0.222CC..EExtended strand (participates in β ladder)trans-119.1120.1-173.4-160.9-79.2000112.6W40 L44 I55 C56 P57 G119 F121 V143 L145F29-W40 HydrophobicContact CD1-CB 3.84Å; F29-W40 AromaticContact CD1-CD2 3.9Å; F29-W40 HydrophobicContact CD1-CD2 3.9Å; F29-W40 HydrophobicContact CD1-CE3 4.04Å; F29-W40 AromaticContact CD1-CG 3.79Å; F29-W40 HydrophobicContact CD1-CG 3.79Å; F29-W40 HydrophobicContact CE1-CB 4.1Å; F29-W40 AromaticContact CE1-CD2 3.21Å; F29-W40 HydrophobicContact CE1-CD2 3.21Å; F29-W40 AromaticContact CE1-CE2 3.78Å; F29-W40 AromaticContact CE1-CE3 3.29Å; F29-W40 HydrophobicContact CE1-CE3 3.29Å; F29-W40 AromaticContact CE1-CG 3.56Å; F29-W40 HydrophobicContact CE1-CG 3.56Å; F29-W40 HydrophobicContact CE1-CH2 4.37Å; F29-W40 HydrophobicContact CE1-CZ2 4.35Å; F29-W40 AromaticContact CE1-CZ3 3.89Å; F29-W40 HydrophobicContact CE1-CZ3 3.89Å; F29-W40 HydrophobicContact CE2-CE3 4.37Å; F29-W40 AromaticContact CZ-CD2 3.87Å; F29-W40 HydrophobicContact CZ-CD2 3.87Å; F29-W40 AromaticContact CZ-CE3 3.48Å; F29-W40 HydrophobicContact CZ-CE3 3.48Å; F29-W40 VanDerWaalsContact CZ-CE3 3.48Å; F29-W40 HydrophobicContact CZ-CH2 4.14Å; F29-W40 AromaticContact CZ-CZ3 3.62Å; F29-W40 HydrophobicContact CZ-CZ3 3.62Å; F29-L44 HydrophobicContact CB-CD1 3.58Å; F29-L44 HydrophobicContact CD1-CD1 4.33Å; F29-L44 HydrophobicContact CD2-CD1 4.06Å; F29-L44 HydrophobicContact CD2-CD2 4.39Å; F29-L44 HydrophobicContact CG-CD1 3.73Å; F29-I55 PolarHBondContact N-O 3.32Å; F29-C56 WeakPolarHBondContact O-CA 3.42Å; F29-P57 WeakPolarHBondContact O-CD 3.49Å; F29-G119 CarbonylContact C-O 3.58Å; F29-G119 VanDerWaalsContact CA-O 3.23Å; F29-G119 WeakPolarHBondContact CA-O 3.24Å; F29-F121 HydrophobicContact CE1-CB 4.26Å; F29-F121 HydrophobicContact CZ-CB 4.39Å; F29-V143 HydrophobicContact CE2-CG1 4.46Å; F29-L145 HydrophobicContact CE2-CD1 4.14Å; F29-L145 HydrophobicContact CZ-CD1 3.78Å; F29-L145 HydrophobicContact CZ-CG 4.36Å
30L98.9Very high97.4Very high0 Ų039.8 Ų39.80%022%0.217CC..EExtended strand (participates in β ladder)trans-100.1122.5-174.4-49.3-175.6000110.8I28 P57 W75 I99 G119 G120 F121 G124 L127 S128I28-L30 HydrophobicContact CG2-CD2 4.15Å; L30-P57 HydrophobicContact CD2-CG 3.52Å; L30-W75 HydrophobicContact CB-CZ2 3.96Å; L30-W75 HydrophobicContact CD2-CH2 4.02Å; L30-W75 HydrophobicContact CD2-CZ2 3.99Å; L30-W75 HydrophobicContact CG-CZ2 4.48Å; L30-I99 HydrophobicContact CD1-CD1 4.05Å; L30-I99 HydrophobicContact CD1-CG1 3.93Å; L30-I99 HydrophobicContact CD2-CD1 3.65Å; L30-I99 HydrophobicContact CD2-CG1 4.4Å; L30-G119 PolarHBondContact N-O 3.09Å; L30-G120 CarbonylContact O-C 3.6Å; L30-G120 WeakPolarHBondContact O-CA 3.5Å; L30-F121 PolarHBondContact O-N 2.93Å; L30-G124 WeakPolarHBondContact O-CA 3.38Å; L30-L127 HydrophobicContact CD1-CB 4.01Å; L30-L127 HydrophobicContact CD1-CD2 3.82Å; L30-L127 HydrophobicContact CD1-CG 3.85Å; L30-S128 WeakPolarHBondContact CD1-OG 3.25Å
31H98.7Very high97.6Very high1 Ų136.1 Ų36.11%0.00519%0.186CC..PPolyproline II helixtrans-72.1166.718068.779.9000112.9D35 T36 P57 A59 W75 G124H31-D35 HydrophobicContact CB-CB 4.17Å; H31-D35 VanDerWaalsContact CE1-C 3.5Å; H31-D35 PolarHBondContact CE1-O 3.14Å; H31-D35 PolarHBondContact ND1-O 3.3Å; H31-T36 VanDerWaalsContact CD2-C 3.45Å; H31-P57 PolarHBondContact CD2-O 3.25Å; H31-P57 VanDerWaalsContact CD2-O 3.32Å; H31-A59 VanDerWaalsContact CE1-CB 3.48Å; H31-A59 WeakPolarHBondContact CE1-CB 3.37Å; H31-A59 PolarHBondContact NE2-N 2.9Å; H31-W75 AromaticContact CD2-CZ2 3.9Å; H31-W75 AromaticContact NE2-CZ2 3.93Å; H31-W75 PolarHBondContact O-NE1 3.47Å; H31-G124 WeakPolarHBondContact O-CA 3.4Å; H31-G124 PolarHBondContact O-N 2.99Å
32G98.3Very high97.6Very high3 Ų338.5 Ų38.53%0.03120%0.201CC..PPolyproline II helixtrans-77.6173.1176.400000113.8G34 D35 F121G32-G34 PolarHBondContact O-N 3.35Å; G32-D35 PolarHBondContact O-N 3.5Å; G32-F121 WeakPolarHBondContact CA-O 3.43Å; G32-F121 PolarHBondContact N-O 3.07Å
33L98Very high97.7Very high48 Ų4829.3 Ų29.325%0.25117%0.172SC..THydrogen-bonded Turntrans-54.5133.1178175.168.6000111.5D35 V64 M72 S74 L78L33-D35 PolarHBondContact O-N 2.74Å; L33-V64 HydrophobicContact CD1-CG1 4.37Å; L33-V64 HydrophobicContact CD1-CG2 3.95Å; L33-V64 HydrophobicContact CD2-CG1 4.45Å; L33-M72 HydrophobicContact CD1-CG 4.23Å; L33-M72 HydrophobicContact CD1-SD 4.03Å; L33-M72 HydrophobicContact CG-SD 4.23Å; L33-S74 WeakPolarHBondContact CD1-OG 3.48Å; L33-L78 HydrophobicContact CD2-CD2 4.06Å
34G96.3Very high97.6Very high42 Ų4226.5 Ų26.543%0.43316%0.159SC..THydrogen-bonded Turntrans79.9-11.4175.200000115.8G32 P73G32-G34 PolarHBondContact O-N 3.35Å; G34-P73 PolarHBondContact N-O 2.93Å
35D96.4Very high97.6Very high45 Ų4527.4 Ų27.424%0.24117%0.167CC..  trans-85.3-175.1179.1-163.56.1000111.9H31 G32 L33 S39 P73H31-D35 HydrophobicContact CB-CB 4.17Å; H31-D35 VanDerWaalsContact CE1-C 3.5Å; H31-D35 PolarHBondContact CE1-O 3.14Å; H31-D35 PolarHBondContact ND1-O 3.3Å; G32-D35 PolarHBondContact O-N 3.5Å; L33-D35 PolarHBondContact O-N 2.74Å; D35-S39 WeakPolarHBondContact OD1-CB 3.27Å; D35-S39 PolarHBondContact OD1-OG 2.86Å; D35-P73 WeakPolarHBondContact O-CB 3.36Å
36T96.2Very high97.4Very high53 Ų5331.8 Ų31.833%0.32520%0.197SC..  trans-130.2174169.275.60000110.7H31 H38H31-T36 VanDerWaalsContact CD2-C 3.45Å; T36-H38 PolarHBondContact O-N 2.96Å; T36-H38 PolarHBondContact OG1-N 2.86Å; T36-H38 PolarHBondContact OG1-ND1 3.46Å
37G96.2Very high97.3Very high1 Ų132.1 Ų32.11%0.0120%0.199CC..Hα-helixtrans-67-18.8176.200000114.6A41 C56 H58G37-A41 WeakPolarHBondContact O-CB 3.39Å; G37-A41 PolarHBondContact O-N 3.44Å; G37-C56 VanDerWaalsContact O-CB 3.31Å; G37-C56 WeakPolarHBondContact O-CB 3.45Å; G37-H58 WeakPolarHBondContact CA-ND1 3.27Å; G37-H58 PolarHBondContact N-CE1 3.13Å; G37-H58 PolarHBondContact N-ND1 3.31Å
38H97.3Very high97.2Very high101 Ų10138 Ų3847%0.46822%0.221SC..Hα-helixtrans-64-48.9-176.6-67.288.1000112V15 T36 W40 A41 D42 H58V15-H38 WeakPolarHBondContact CG2-NE2 3.49Å; T36-H38 PolarHBondContact O-N 2.96Å; T36-H38 PolarHBondContact OG1-N 2.86Å; T36-H38 PolarHBondContact OG1-ND1 3.46Å; H38-W40 PolarHBondContact O-N 3.41Å; H38-A41 PolarHBondContact O-N 3.21Å; H38-A41 VanDerWaalsContact O-N 3.12Å; H38-D42 PolarHBondContact O-N 3.06Å; H38-H58 AromaticContact CE1-CE1 3.69Å; H38-H58 AromaticContact CE1-NE2 3.4Å; H38-H58 PolarHBondContact CE1-NE2 2.96Å; H38-H58 AromaticContact ND1-CE1 3.54Å; H38-H58 AromaticContact ND1-NE2 3.7Å
39S93.9Very high97.2Very high59 Ų5938.5 Ų38.541%0.41322%0.224SC..Hα-helixtrans-54.7-42-177.7-47.10000112.1D35 A43D35-S39 WeakPolarHBondContact OD1-CB 3.27Å; D35-S39 PolarHBondContact OD1-OG 2.86Å; S39-A43 PolarHBondContact O-N 3.16Å
40W97.9Very high97.2Very high17 Ų1740.6 Ų40.66%0.06424%0.237CC..Hα-helixtrans-82.6-31.1179.6-76.396.6000113.5F29 H38 D42 A43 L44 F121 L145 M218F29-W40 HydrophobicContact CD1-CB 3.84Å; F29-W40 AromaticContact CD1-CD2 3.9Å; F29-W40 HydrophobicContact CD1-CD2 3.9Å; F29-W40 HydrophobicContact CD1-CE3 4.04Å; F29-W40 AromaticContact CD1-CG 3.79Å; F29-W40 HydrophobicContact CD1-CG 3.79Å; F29-W40 HydrophobicContact CE1-CB 4.1Å; F29-W40 AromaticContact CE1-CD2 3.21Å; F29-W40 HydrophobicContact CE1-CD2 3.21Å; F29-W40 AromaticContact CE1-CE2 3.78Å; F29-W40 AromaticContact CE1-CE3 3.29Å; F29-W40 HydrophobicContact CE1-CE3 3.29Å; F29-W40 AromaticContact CE1-CG 3.56Å; F29-W40 HydrophobicContact CE1-CG 3.56Å; F29-W40 HydrophobicContact CE1-CH2 4.37Å; F29-W40 HydrophobicContact CE1-CZ2 4.35Å; F29-W40 AromaticContact CE1-CZ3 3.89Å; F29-W40 HydrophobicContact CE1-CZ3 3.89Å; F29-W40 HydrophobicContact CE2-CE3 4.37Å; F29-W40 AromaticContact CZ-CD2 3.87Å; F29-W40 HydrophobicContact CZ-CD2 3.87Å; F29-W40 AromaticContact CZ-CE3 3.48Å; F29-W40 HydrophobicContact CZ-CE3 3.48Å; F29-W40 VanDerWaalsContact CZ-CE3 3.48Å; F29-W40 HydrophobicContact CZ-CH2 4.14Å; F29-W40 AromaticContact CZ-CZ3 3.62Å; F29-W40 HydrophobicContact CZ-CZ3 3.62Å; H38-W40 PolarHBondContact O-N 3.41Å; W40-D42 VanDerWaalsContact C-N 3.32Å; W40-D42 PolarHBondContact O-N 3.07Å; W40-A43 HydrophobicContact CE3-CB 4.32Å; W40-A43 PolarHBondContact O-N 3.35Å; W40-L44 VanDerWaalsContact O-CB 3.27Å; W40-L44 WeakPolarHBondContact O-CB 3.44Å; W40-L44 WeakPolarHBondContact O-CD1 3.27Å; W40-L44 WeakPolarHBondContact O-CG 3.42Å; W40-L44 PolarHBondContact O-N 3.17Å; W40-F121 HydrophobicContact CH2-CB 3.92Å; W40-F121 AromaticContact CH2-CD2 3.94Å; W40-F121 HydrophobicContact CH2-CD2 3.94Å; W40-F121 HydrophobicContact CH2-CG 4.1Å; W40-F121 HydrophobicContact CZ2-CB 3.24Å; W40-F121 HydrophobicContact CZ2-CD1 4.01Å; W40-F121 AromaticContact CZ2-CD2 3.57Å; W40-F121 HydrophobicContact CZ2-CD2 3.57Å; W40-F121 HydrophobicContact CZ2-CE2 4.41Å; W40-F121 AromaticContact CZ2-CG 3.33Å; W40-F121 HydrophobicContact CZ2-CG 3.33Å; W40-L145 HydrophobicContact CH2-CD1 3.72Å; W40-L145 HydrophobicContact CZ3-CD1 3.76Å; W40-M218 HydrophobicContact CZ3-SD 4.28Å
41A98.1Very high97.1Very high2 Ų241.4 Ų41.42%0.01724%0.241CC..Hα-helixtrans-60.2-4417100000111.2V15 V17 G37 H38 L44 S45 C56V15-A41 HydrophobicContact CB-CB 4.05Å; V15-A41 HydrophobicContact CG1-CB 3.4Å; V17-A41 HydrophobicContact CG2-CB 3.8Å; V17-A41 WeakPolarHBondContact CG2-O 2.81Å; G37-A41 WeakPolarHBondContact O-CB 3.39Å; G37-A41 PolarHBondContact O-N 3.44Å; H38-A41 PolarHBondContact O-N 3.21Å; H38-A41 VanDerWaalsContact O-N 3.12Å; A41-L44 PolarHBondContact O-N 3.03Å; A41-S45 WeakPolarHBondContact O-CB 3.29Å; A41-S45 PolarHBondContact O-N 3.37Å; A41-C56 HydrophobicContact CB-CB 4.32Å
42D96.8Very high97.1Very high124 Ų12441.4 Ų41.466%0.66324%0.24SC*.Hα-helixtrans-62.3-46.9176.5-72.4-19.9000111.6H38 W40 L44 S45H38-D42 PolarHBondContact O-N 3.06Å; W40-D42 VanDerWaalsContact C-N 3.32Å; W40-D42 PolarHBondContact O-N 3.07Å; D42-L44 PolarHBondContact O-N 3.15Å; D42-S45 WeakPolarHBondContact O-CB 3.32Å; D42-S45 PolarHBondContact O-N 2.56Å
43A96.6Very high97.1Very high27 Ų2742.6 Ų42.622%0.22325%0.245CC..Hα-helixtrans-61-45.817700000112.3S39 W40 S45 S46 M218S39-A43 PolarHBondContact O-N 3.16Å; W40-A43 HydrophobicContact CE3-CB 4.32Å; W40-A43 PolarHBondContact O-N 3.35Å; A43-S45 VanDerWaalsContact C-N 3.33Å; A43-S45 PolarHBondContact O-N 3.46Å; A43-S46 WeakPolarHBondContact O-CB 3.43Å; A43-S46 PolarHBondContact O-N 2.61Å; A43-S46 PolarHBondContact O-OG 2.77Å; A43-M218 HydrophobicContact CB-CE 4.29Å
44L97.9Very high97.2Very high0 Ų040.4 Ų40.40%023%0.233CC..Hα-helixtrans-69.6-30.1-179.6-70.1166.8000112.5F29 W40 A41 D42 S46 I47 R48 Y54 M218F29-L44 HydrophobicContact CB-CD1 3.58Å; F29-L44 HydrophobicContact CD1-CD1 4.33Å; F29-L44 HydrophobicContact CD2-CD1 4.06Å; F29-L44 HydrophobicContact CD2-CD2 4.39Å; F29-L44 HydrophobicContact CG-CD1 3.73Å; W40-L44 VanDerWaalsContact O-CB 3.27Å; W40-L44 WeakPolarHBondContact O-CB 3.44Å; W40-L44 WeakPolarHBondContact O-CD1 3.27Å; W40-L44 WeakPolarHBondContact O-CG 3.42Å; W40-L44 PolarHBondContact O-N 3.17Å; A41-L44 PolarHBondContact O-N 3.03Å; D42-L44 PolarHBondContact O-N 3.15Å; L44-S46 PolarHBondContact O-N 3.37Å; L44-I47 HydrophobicContact CD2-CD1 4.15Å; L44-I47 HydrophobicContact CD2-CG1 4.47Å; L44-I47 CarbonylContact O-C 3.39Å; L44-I47 WeakPolarHBondContact O-CG1 3.44Å; L44-I47 PolarHBondContact O-N 3.23Å; L44-I47 VanDerWaalsContact O-N 3.07Å; L44-R48 PolarHBondContact O-N 3.3Å; L44-Y54 HydrophobicContact CB-CD1 3.96Å; L44-Y54 HydrophobicContact CB-CG 4.3Å; L44-Y54 HydrophobicContact CD1-CD1 4.15Å; L44-Y54 HydrophobicContact CD2-CD1 4.11Å; L44-Y54 HydrophobicContact CD2-CE1 4.36Å; L44-Y54 HydrophobicContact CG-CD1 4.3Å; L44-M218 HydrophobicContact CD2-CE 4.31Å
45S97Very high97.3Very high47 Ų4738.5 Ų38.533%0.32921%0.213SC..Hα-helixtrans-57.6-34.9174.2-170.80000112.1A41 D42 A43 I47 R48A41-S45 WeakPolarHBondContact O-CB 3.29Å; A41-S45 PolarHBondContact O-N 3.37Å; D42-S45 WeakPolarHBondContact O-CB 3.32Å; D42-S45 PolarHBondContact O-N 2.56Å; A43-S45 VanDerWaalsContact C-N 3.33Å; A43-S45 PolarHBondContact O-N 3.46Å; S45-I47 PolarHBondContact O-N 2.95Å; S45-R48 WeakPolarHBondContact O-CB 3.3Å; S45-R48 VanDerWaalsContact O-CG 3.27Å; S45-R48 WeakPolarHBondContact O-CG 3.49Å; S45-R48 PolarHBondContact O-N 2.97Å
46S95.9Very high97.4Very high92 Ų9236.4 Ų36.464%0.64320%0.202SC*.THydrogen-bonded Turntrans-67-22.317877.30000114.4A43 L44A43-S46 WeakPolarHBondContact O-CB 3.43Å; A43-S46 PolarHBondContact O-N 2.61Å; A43-S46 PolarHBondContact O-OG 2.77Å; L44-S46 PolarHBondContact O-N 3.37Å
47I97.2Very high97.5Very high7 Ų733.9 Ų33.94%0.03619%0.186CC..THydrogen-bonded Turntrans-116.413.4179.762159.1000112.9L44 S45 M218 V221 K222L44-I47 HydrophobicContact CD2-CD1 4.15Å; L44-I47 HydrophobicContact CD2-CG1 4.47Å; L44-I47 CarbonylContact O-C 3.39Å; L44-I47 WeakPolarHBondContact O-CG1 3.44Å; L44-I47 PolarHBondContact O-N 3.23Å; L44-I47 VanDerWaalsContact O-N 3.07Å; S45-I47 PolarHBondContact O-N 2.95Å; I47-M218 HydrophobicContact CD1-CE 3.71Å; I47-M218 HydrophobicContact CG1-CE 4.12Å; I47-M218 HydrophobicContact CG2-CB 4.26Å; I47-V221 HydrophobicContact CD1-CB 4.17Å; I47-V221 HydrophobicContact CD1-CG1 3.75Å; I47-K222 HydrophobicContact CB-CB 3.91Å; I47-K222 HydrophobicContact CB-CD 4.12Å; I47-K222 HydrophobicContact CB-CG 4.04Å; I47-K222 HydrophobicContact CD1-CB 4.21Å; I47-K222 HydrophobicContact CG2-CB 4.12Å; I47-K222 HydrophobicContact CG2-CD 4.29Å
48R96.7Very high97.6Very high127 Ų12736 Ų3648%0.47920%0.196SC..  trans-61.2140.3-172.174.3-175.1-177.2163.4-1.8112.5L44 S45 Y54L44-R48 PolarHBondContact O-N 3.3Å; S45-R48 WeakPolarHBondContact O-CB 3.3Å; S45-R48 VanDerWaalsContact O-CG 3.27Å; S45-R48 WeakPolarHBondContact O-CG 3.49Å; S45-R48 PolarHBondContact O-N 2.97Å; R48-Y54 WeakPolarHBondContact CA-OH 3.34Å; R48-Y54 HydrophobicContact CB-CD2 4.39Å; R48-Y54 HydrophobicContact CB-CE2 3.75Å
49L98.2Very high97.6Very high10 Ų1031.6 Ų31.65%0.05218%0.177CC..  trans-96.6141.5167.6-57.6-178.5000109.5Y51 V52 Y54 I225 E226L49-Y51 VanDerWaalsContact C-N 3.25Å; L49-Y51 HydrophobicContact CB-CE2 4.37Å; L49-Y51 HydrophobicContact CD1-CE2 4.38Å; L49-Y51 PolarHBondContact O-N 2.96Å; L49-Y51 VanDerWaalsContact O-N 3.17Å; L49-V52 HydrophobicContact CB-CB 4.1Å; L49-V52 HydrophobicContact CB-CG2 3.7Å; L49-V52 HydrophobicContact CD1-CG2 4.05Å; L49-V52 HydrophobicContact CG-CG2 4.41Å; L49-V52 PolarHBondContact O-N 2.86Å; L49-Y54 PolarHBondContact N-OH 2.95Å; L49-I225 HydrophobicContact CD1-CG2 3.75Å; L49-I225 HydrophobicContact CG-CG2 4.48Å; L49-E226 HydrophobicContact CD1-CB 3.93Å; L49-E226 HydrophobicContact CD1-CG 4.41Å; L49-E226 HydrophobicContact CD2-CB 4.42Å
50P97.9Very high97.7Very high46 Ų4631.7 Ų31.730%0.29918%0.176SC..THydrogen-bonded Turntrans-66.5-23.2-168.524.2-33.3000114.4G19 A20 E21G19-P50 CarbonylContact C-O 3.58Å; G19-P50 WeakPolarHBondContact CA-O 3.34Å; A20-P50 HydrophobicContact CB-CB 4.18Å; A20-P50 PolarHBondContact N-O 3.46Å; E21-P50 HydrophobicContact CG-CB 4.04Å; E21-P50 PolarHBondContact N-O 3.45Å
51Y98.3Very high97.7Very high18 Ų1838.8 Ų38.87%0.07120%0.203CC..THydrogen-bonded Turntrans-106.910.4-178.850.8-98.8000113.1T24 A25 L49 L229 R231T24-Y51 PolarHBondContact N-O 3.2Å; A25-Y51 PolarHBondContact N-O 2.87Å; L49-Y51 VanDerWaalsContact C-N 3.25Å; L49-Y51 HydrophobicContact CB-CE2 4.37Å; L49-Y51 HydrophobicContact CD1-CE2 4.38Å; L49-Y51 PolarHBondContact O-N 2.96Å; L49-Y51 VanDerWaalsContact O-N 3.17Å; Y51-L229 WeakPolarHBondContact CE2-O 3.49Å; Y51-L229 PolarHBondContact OH-O 3.04Å; Y51-R231 HydrophobicContact CD1-CB 4.01Å; Y51-R231 HydrophobicContact CD1-CG 3.69Å; Y51-R231 HydrophobicContact CE1-CB 3.57Å; Y51-R231 HydrophobicContact CE1-CG 3.77Å; Y51-R231 HydrophobicContact CG-CG 4.36Å; Y51-R231 PolarHBondContact OH-N 2.94Å
52V98.7Very high97.7Very high0 Ų041 Ų410%021%0.214CC..EExtended strand (participates in β ladder)trans-115.8132.8178.5-175.90000108.8A25 V27 L49 Y54 L229A25-V52 HydrophobicContact CB-CG1 4.47Å; A25-V52 HydrophobicContact CB-CG2 4.06Å; A25-V52 WeakPolarHBondContact O-CA 3.26Å; V27-V52 HydrophobicContact CG2-CG1 3.78Å; L49-V52 HydrophobicContact CB-CB 4.1Å; L49-V52 HydrophobicContact CB-CG2 3.7Å; L49-V52 HydrophobicContact CD1-CG2 4.05Å; L49-V52 HydrophobicContact CG-CG2 4.41Å; L49-V52 PolarHBondContact O-N 2.86Å; V52-Y54 HydrophobicContact CB-CE2 4.03Å; V52-Y54 HydrophobicContact CG1-CE1 4.38Å; V52-Y54 HydrophobicContact CG1-CE2 3.97Å; V52-Y54 WeakPolarHBondContact O-CE2 3.46Å; V52-L229 HydrophobicContact CG1-CD1 4.3Å; V52-L229 HydrophobicContact CG2-CB 4.46Å; V52-L229 HydrophobicContact CG2-CD1 4.39Å
53K98.1Very high97.8Very high29 Ų2938.5 Ų38.513%0.12621%0.205CC..EExtended strand (participates in β ladder)trans-99.4145.2170.175.2-168.1-166.1177.10111.6V17 E23 A25 A26 V27 I55 E106 I111V17-K53 WeakPolarHBondContact O-CA 3.35Å; E23-K53 HydrophobicContact CB-CB 4.47Å; E23-K53 HydrophobicContact CB-CD 4.23Å; E23-K53 VanDerWaalsContact CD-CB 3.49Å; E23-K53 HydrophobicContact CG-CB 4.03Å; E23-K53 HydrophobicContact CG-CD 4.35Å; E23-K53 WeakPolarHBondContact OE1-CB 3.44Å; E23-K53 WeakPolarHBondContact OE2-CD 3.45Å; E23-K53 IonicContact OE2-NZ 3.95Å; A25-K53 PolarHBondContact O-N 3.16Å; A26-K53 CarbonylContact C-O 3.56Å; A26-K53 VanDerWaalsContact CA-O 3.32Å; A26-K53 WeakPolarHBondContact CA-O 3.48Å; A26-K53 HydrophobicContact CB-CG 3.87Å; V27-K53 PolarHBondContact N-O 3.43Å; K53-I55 HydrophobicContact CG-CG1 4.48Å; K53-E106 WeakPolarHBondContact CE-OE2 3.44Å; K53-E106 IonicContact NZ-OE1 3.72Å; K53-E106 IonicContact NZ-OE2 3.73Å; K53-E106 PolarHBondContact NZ-OE2 3.43Å; K53-I111 HydrophobicContact CD-CD1 3.9Å; K53-I111 VanDerWaalsContact CE-CD1 3.43Å; K53-I111 HydrophobicContact CG-CD1 4.45Å
54Y98.8Very high97.9Very high1 Ų137.2 Ų37.20%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-117.4111.7-178.5-55.4-104.2000109.2T16 V17 V27 L44 R48 L49 V52 I225T16-Y54 CarbonylContact C-O 3.43Å; T16-Y54 VanDerWaalsContact CA-O 3.32Å; T16-Y54 WeakPolarHBondContact CA-O 3.28Å; V17-Y54 HydrophobicContact CB-CD2 4.39Å; V17-Y54 PolarHBondContact N-O 3.38Å; V17-Y54 PolarHBondContact O-N 2.91Å; V27-Y54 HydrophobicContact CB-CD1 3.66Å; V27-Y54 HydrophobicContact CB-CE1 4.08Å; V27-Y54 HydrophobicContact CB-CG 4.39Å; V27-Y54 HydrophobicContact CG1-CD1 4.17Å; V27-Y54 HydrophobicContact CG2-CD1 3.89Å; V27-Y54 HydrophobicContact CG2-CE1 3.75Å; V27-Y54 CarbonylContact O-C 3.55Å; V27-Y54 WeakPolarHBondContact O-CA 3.38Å; L44-Y54 HydrophobicContact CB-CD1 3.96Å; L44-Y54 HydrophobicContact CB-CG 4.3Å; L44-Y54 HydrophobicContact CD1-CD1 4.15Å; L44-Y54 HydrophobicContact CD2-CD1 4.11Å; L44-Y54 HydrophobicContact CD2-CE1 4.36Å; L44-Y54 HydrophobicContact CG-CD1 4.3Å; R48-Y54 WeakPolarHBondContact CA-OH 3.34Å; R48-Y54 HydrophobicContact CB-CD2 4.39Å; R48-Y54 HydrophobicContact CB-CE2 3.75Å; L49-Y54 PolarHBondContact N-OH 2.95Å; V52-Y54 HydrophobicContact CB-CE2 4.03Å; V52-Y54 HydrophobicContact CG1-CE1 4.38Å; V52-Y54 HydrophobicContact CG1-CE2 3.97Å; V52-Y54 WeakPolarHBondContact O-CE2 3.46Å; Y54-I225 HydrophobicContact CE1-CD1 4.15Å
55I98.8Very high97.9Very high3 Ų340 Ų402%0.01521%0.211CC..EExtended strand (participates in β ladder)trans-100.6115.2-178.2-57.1163.9000108.2L11 A14 T16 V27 I28 F29 K53 P57 E106L11-I55 HydrophobicContact CD2-CD1 4.33Å; L11-I55 HydrophobicContact CD2-CG2 3.63Å; A14-I55 HydrophobicContact CB-CG2 3.94Å; T16-I55 HydrophobicContact CG2-CG1 4.29Å; V27-I55 PolarHBondContact O-N 2.93Å; I28-I55 CarbonylContact C-O 3.56Å; I28-I55 WeakPolarHBondContact CA-O 3.31Å; I28-I55 HydrophobicContact CG1-CB 4.42Å; I28-I55 HydrophobicContact CG1-CD1 4.19Å; F29-I55 PolarHBondContact N-O 3.32Å; K53-I55 HydrophobicContact CG-CG1 4.48Å; I55-P57 VanDerWaalsContact O-CD 3.24Å; I55-P57 WeakPolarHBondContact O-CD 3.43Å; I55-E106 HydrophobicContact CD1-CG 3.93Å
56C98.7Very high97.9Very high0 Ų040.8 Ų40.80%021%0.211CC..EExtended strand (participates in β ladder)trans-113.283.2179.4-56.50000109.6V15 F29 G37 A41V15-C56 HydrophobicContact CB-CB 4.46Å; V15-C56 PolarHBondContact N-O 3.1Å; V15-C56 WeakPolarHBondContact O-CA 3.45Å; V15-C56 WeakPolarHBondContact O-CB 3.43Å; V15-C56 PolarHBondContact O-N 3.2Å; F29-C56 WeakPolarHBondContact O-CA 3.42Å; G37-C56 VanDerWaalsContact O-CB 3.31Å; G37-C56 WeakPolarHBondContact O-CB 3.45Å; A41-C56 HydrophobicContact CB-CB 4.32Å
57P98.3Very high98Very high0 Ų039.2 Ų39.20%020%0.196CC..PPolyproline II helixtrans-65.3156-179.427.9-33.6000111.8L10 A14 F29 L30 H31 I55 W75 I102L10-P57 HydrophobicContact CB-CB 4.3Å; A14-P57 HydrophobicContact CB-CB 4.26Å; F29-P57 WeakPolarHBondContact O-CD 3.49Å; L30-P57 HydrophobicContact CD2-CG 3.52Å; H31-P57 PolarHBondContact CD2-O 3.25Å; H31-P57 VanDerWaalsContact CD2-O 3.32Å; I55-P57 VanDerWaalsContact O-CD 3.24Å; I55-P57 WeakPolarHBondContact O-CD 3.43Å; P57-W75 HydrophobicContact CB-CH2 4.04Å; P57-W75 HydrophobicContact CG-CH2 3.79Å; P57-W75 HydrophobicContact CG-CZ2 4.49Å; P57-I102 HydrophobicContact CB-CD1 4.21Å; P57-I102 HydrophobicContact CG-CD1 4.13Å
58H97.8Very high98Very high47 Ų4747.7 Ų47.722%0.21824%0.237CC..PPolyproline II helixtrans-91.5127.9173.3-65.7-20.2000110.6L10 D13 V15 G37 H38L10-H58 WeakPolarHBondContact CD2-O 3.13Å; D13-H58 PolarHBondContact O-CD2 3.4Å; D13-H58 PolarHBondContact O-NE2 3Å; V15-H58 VanDerWaalsContact CG2-CE1 3.46Å; V15-H58 WeakPolarHBondContact CG2-CE1 3.38Å; G37-H58 WeakPolarHBondContact CA-ND1 3.27Å; G37-H58 PolarHBondContact N-CE1 3.13Å; G37-H58 PolarHBondContact N-ND1 3.31Å; H38-H58 AromaticContact CE1-CE1 3.69Å; H38-H58 AromaticContact CE1-NE2 3.4Å; H38-H58 PolarHBondContact CE1-NE2 2.96Å; H38-H58 AromaticContact ND1-CE1 3.54Å; H38-H58 AromaticContact ND1-NE2 3.7Å
59A97.9Very high98Very high8 Ų848.7 Ų48.77%0.06625%0.245CC..PPolyproline II helixtrans-63.7141.9171.600000110.3H31 P73 W75H31-A59 VanDerWaalsContact CE1-CB 3.48Å; H31-A59 WeakPolarHBondContact CE1-CB 3.37Å; H31-A59 PolarHBondContact NE2-N 2.9Å; A59-P73 HydrophobicContact CB-CB 4.29Å; A59-W75 HydrophobicContact CB-CD2 3.73Å; A59-W75 HydrophobicContact CB-CE3 3.99Å; A59-W75 HydrophobicContact CB-CG 4.2Å; A59-W75 HydrophobicContact CB-CH2 4.13Å; A59-W75 HydrophobicContact CB-CZ2 3.92Å; A59-W75 HydrophobicContact CB-CZ3 4.18Å
60P96.9Very high98Very high60 Ų6054.2 Ų54.239%0.3927%0.272SS..PPolyproline II helixtrans-62.6154.5173.428.6-34.7000110.8I62 P73 S74P60-I62 HydrophobicContact CB-CG2 4.49Å; P60-I62 HydrophobicContact CG-CG2 4.48Å; P60-I62 PolarHBondContact O-N 2.89Å; P60-P73 WeakPolarHBondContact O-CA 3.36Å; P60-S74 PolarHBondContact O-N 3.18Å
61R97.8Very high98Very high167 Ų16755.6 Ų55.663%0.6328%0.28SS*.EExtended strand (participates in β ladder)trans-83.5114.6173.4-61.8-176.367.887.35.6109.7V71 M72 P73R61-V71 HydrophobicContact CB-CG1 3.92Å; R61-V71 PolarHBondContact NH2-O 2.62Å; R61-M72 WeakPolarHBondContact CA-O 3.5Å; R61-P73 HydrophobicContact CG-CG 4.46Å
62I98.3Very high98Very high47 Ų4756 Ų5624%0.24128%0.283CS..EExtended strand (participates in β ladder)trans-132.6156.3-179.861.3169.7000110.3P60 V71 M72P60-I62 HydrophobicContact CB-CG2 4.49Å; P60-I62 HydrophobicContact CG-CG2 4.48Å; P60-I62 PolarHBondContact O-N 2.89Å; I62-V71 WeakPolarHBondContact O-CA 3.42Å; I62-M72 PolarHBondContact N-O 3.06Å; I62-M72 PolarHBondContact O-N 3.33Å; I62-M72 VanDerWaalsContact O-N 3.07Å
63P98.4Very high98Very high73 Ų7356.8 Ų56.847%0.47429%0.288SS..EExtended strand (participates in β ladder)trans-65.5134.8169.927.7-34.3000110.6K69 V71P63-K69 HydrophobicContact CB-CB 4.24Å; P63-K69 WeakPolarHBondContact CB-O 3.43Å; P63-V71 HydrophobicContact CB-CG2 4.39Å
64V98.6Very high98Very high0 Ų055.4 Ų55.40%028%0.281CS..EExtended strand (participates in β ladder)trans-113.9117.3179.9178.40000110.7L33 L66 N67 K69 M70 M72 D77 L78L33-V64 HydrophobicContact CD1-CG1 4.37Å; L33-V64 HydrophobicContact CD1-CG2 3.95Å; L33-V64 HydrophobicContact CD2-CG1 4.45Å; V64-L66 HydrophobicContact CG1-CB 4.21Å; V64-L66 PolarHBondContact O-N 3Å; V64-N67 HydrophobicContact CB-CB 4.42Å; V64-N67 HydrophobicContact CG1-CB 4.4Å; V64-N67 CarbonylContact O-C 3.55Å; V64-N67 PolarHBondContact O-N 2.71Å; V64-K69 WeakPolarHBondContact O-CA 3.5Å; V64-K69 PolarHBondContact O-N 3.3Å; V64-M70 PolarHBondContact N-O 3.25Å; V64-M72 HydrophobicContact CB-CG 4.4Å; V64-M72 HydrophobicContact CG2-CG 3.71Å; V64-M72 HydrophobicContact CG2-SD 4.32Å; V64-D77 WeakPolarHBondContact CA-OD1 3.39Å; V64-L78 HydrophobicContact CG1-CB 4.09Å
65T98.3Very high98Very high57 Ų5756 Ų5635%0.3528%0.284SS..G310 helixtrans-59.1-43.5-174.6-690000112.3N67 M68 D77 M79T65-N67 PolarHBondContact O-N 2.9Å; T65-N67 VanDerWaalsContact O-N 3.16Å; T65-M68 PolarHBondContact O-N 3.26Å; T65-M68 VanDerWaalsContact O-N 3.16Å; T65-D77 WeakPolarHBondContact CB-OD2 3.43Å; T65-D77 PolarHBondContact N-OD1 3.34Å; T65-D77 PolarHBondContact OG1-OD1 3.5Å; T65-D77 PolarHBondContact OG1-OD2 3.15Å; T65-M79 HydrophobicContact CG2-CB 4.43Å; T65-M79 HydrophobicContact CG2-CG 3.96Å
66L97Very high98Very high65 Ų6556 Ų5634%0.3428%0.284SS..G310 helixtrans-55.3-33.1176.2-177.368.5000112.3V64 L78 L81V64-L66 HydrophobicContact CG1-CB 4.21Å; V64-L66 PolarHBondContact O-N 3Å; L66-L78 WeakPolarHBondContact CB-O 3.33Å; L66-L78 HydrophobicContact CD2-CD2 3.74Å; L66-L78 HydrophobicContact CD2-CG 4.14Å; L66-L78 PolarHBondContact N-O 3.37Å; L66-L81 HydrophobicContact CD2-CD1 4.1Å; L66-L81 HydrophobicContact CD2-CD2 4.16Å; L66-L81 HydrophobicContact CD2-CG 3.85Å
67N96.9Very high98Very high59 Ų5957.5 Ų57.532%0.31629%0.291SS..G310 helixtrans-10441.6-178.4-68.7-23.9000111.8V64 T65 K69 M70 M72V64-N67 HydrophobicContact CB-CB 4.42Å; V64-N67 HydrophobicContact CG1-CB 4.4Å; V64-N67 CarbonylContact O-C 3.55Å; V64-N67 PolarHBondContact O-N 2.71Å; T65-N67 PolarHBondContact O-N 2.9Å; T65-N67 VanDerWaalsContact O-N 3.16Å; N67-K69 PolarHBondContact O-N 2.92Å; N67-K69 VanDerWaalsContact O-N 3.16Å; N67-M70 VanDerWaalsContact O-CB 3.23Å; N67-M70 WeakPolarHBondContact O-CB 3.32Å; N67-M70 PolarHBondContact O-N 3.21Å; N67-M72 HydrophobicContact CB-CE 3.57Å; N67-M72 HydrophobicContact CB-SD 4.42Å; N67-M72 VanDerWaalsContact ND2-CE 3.31Å; N67-M72 WeakPolarHBondContact ND2-CE 3.46Å; N67-M72 PolarHBondContact ND2-SD 3.29Å
68M97.3Very high97.9Very high185 Ų18558.1 Ų58.191%0.91130%0.295SS*.THydrogen-bonded Turntrans55.134.9177.7-54.1-177.9179.400113.4T65 M70T65-M68 PolarHBondContact O-N 3.26Å; T65-M68 VanDerWaalsContact O-N 3.16Å; M68-M70 PolarHBondContact O-N 3.18Å
69K97.6Very high97.9Very high148 Ų14859 Ų5964%0.64330%0.3SS*.THydrogen-bonded Turntrans61.320.6-176.3-59.4-176.5175-177.60114.8P63 V64 N67P63-K69 HydrophobicContact CB-CB 4.24Å; P63-K69 WeakPolarHBondContact CB-O 3.43Å; V64-K69 WeakPolarHBondContact O-CA 3.5Å; V64-K69 PolarHBondContact O-N 3.3Å; N67-K69 PolarHBondContact O-N 2.92Å; N67-K69 VanDerWaalsContact O-N 3.16Å
70M97.9Very high97.6Very high125 Ų12559.5 Ų59.562%0.61631%0.306SS*.EExtended strand (participates in β ladder)trans-60.7137.7171-174.9-175.5-66.600110.4V64 N67 M68 M72V64-M70 PolarHBondContact N-O 3.25Å; N67-M70 VanDerWaalsContact O-CB 3.23Å; N67-M70 WeakPolarHBondContact O-CB 3.32Å; N67-M70 PolarHBondContact O-N 3.21Å; M68-M70 PolarHBondContact O-N 3.18Å; M70-M72 HydrophobicContact CB-CE 3.86Å; M70-M72 HydrophobicContact CG-CE 3.94Å; M70-M72 PolarHBondContact O-N 2.85Å; M70-M72 HydrophobicContact SD-CE 3.78Å
71V98.5Very high97.3Very high76 Ų7659.4 Ų59.446%0.46130%0.301SS..EExtended strand (participates in β ladder)trans-82.6115.3-179.5177.90000110.6R61 I62 P63R61-V71 HydrophobicContact CB-CG1 3.92Å; R61-V71 PolarHBondContact NH2-O 2.62Å; I62-V71 WeakPolarHBondContact O-CA 3.42Å; P63-V71 HydrophobicContact CB-CG2 4.39Å
72M98.4Very high96.8Very high27 Ų2754.6 Ų54.613%0.13329%0.294CS..EExtended strand (participates in β ladder)trans-147.6164.9-179.563-175.870.100111.5L33 R61 I62 V64 N67 M70 S74L33-M72 HydrophobicContact CD1-CG 4.23Å; L33-M72 HydrophobicContact CD1-SD 4.03Å; L33-M72 HydrophobicContact CG-SD 4.23Å; R61-M72 WeakPolarHBondContact CA-O 3.5Å; I62-M72 PolarHBondContact N-O 3.06Å; I62-M72 PolarHBondContact O-N 3.33Å; I62-M72 VanDerWaalsContact O-N 3.07Å; V64-M72 HydrophobicContact CB-CG 4.4Å; V64-M72 HydrophobicContact CG2-CG 3.71Å; V64-M72 HydrophobicContact CG2-SD 4.32Å; N67-M72 HydrophobicContact CB-CE 3.57Å; N67-M72 HydrophobicContact CB-SD 4.42Å; N67-M72 VanDerWaalsContact ND2-CE 3.31Å; N67-M72 WeakPolarHBondContact ND2-CE 3.46Å; N67-M72 PolarHBondContact ND2-SD 3.29Å; M70-M72 HydrophobicContact CB-CE 3.86Å; M70-M72 HydrophobicContact CG-CE 3.94Å; M70-M72 PolarHBondContact O-N 2.85Å; M70-M72 HydrophobicContact SD-CE 3.78Å; M72-S74 PolarHBondContact O-N 3.22Å
73P98.3Very high96.1Very high16 Ų1654.8 Ų54.810%0.10430%0.298CS..EExtended strand (participates in β ladder)trans-57118.6173.4-24.535.2000111.1G34 D35 A59 P60 R61G34-P73 PolarHBondContact N-O 2.93Å; D35-P73 WeakPolarHBondContact O-CB 3.36Å; A59-P73 HydrophobicContact CB-CB 4.29Å; P60-P73 WeakPolarHBondContact O-CA 3.36Å; R61-P73 HydrophobicContact CG-CG 4.46Å
74S98.6Very high95.6Very high0 Ų057.2 Ų57.20%031%0.307CS..  trans-155.7141.9177.7-169.70000111.1L33 P60 M72 F76 Q123L33-S74 WeakPolarHBondContact CD1-OG 3.48Å; P60-S74 PolarHBondContact O-N 3.18Å; M72-S74 PolarHBondContact O-N 3.22Å; S74-F76 PolarHBondContact OG-O 3.29Å; S74-Q123 PolarHBondContact OG-NE2 3.22Å; S74-Q123 PolarHBondContact OG-OE1 3.46Å
75W98.6Very high95.4Very high13 Ų1358.1 Ų58.15%0.04931%0.314CS..SBendtrans-75.5-33.7-177.6-64.5108000112.9L10 L30 H31 P57 A59 A95 I99 Q123 L127L10-W75 HydrophobicContact CD1-CZ3 4.1Å; L30-W75 HydrophobicContact CB-CZ2 3.96Å; L30-W75 HydrophobicContact CD2-CH2 4.02Å; L30-W75 HydrophobicContact CD2-CZ2 3.99Å; L30-W75 HydrophobicContact CG-CZ2 4.48Å; H31-W75 AromaticContact CD2-CZ2 3.9Å; H31-W75 AromaticContact NE2-CZ2 3.93Å; H31-W75 PolarHBondContact O-NE1 3.47Å; P57-W75 HydrophobicContact CB-CH2 4.04Å; P57-W75 HydrophobicContact CG-CH2 3.79Å; P57-W75 HydrophobicContact CG-CZ2 4.49Å; A59-W75 HydrophobicContact CB-CD2 3.73Å; A59-W75 HydrophobicContact CB-CE3 3.99Å; A59-W75 HydrophobicContact CB-CG 4.2Å; A59-W75 HydrophobicContact CB-CH2 4.13Å; A59-W75 HydrophobicContact CB-CZ2 3.92Å; A59-W75 HydrophobicContact CB-CZ3 4.18Å; W75-A95 WeakPolarHBondContact O-CB 3.37Å; W75-I99 HydrophobicContact CZ3-CD1 4.16Å; W75-Q123 HydrophobicContact CB-CG 4.49Å; W75-Q123 VanDerWaalsContact N-OE1 3.09Å; W75-L127 HydrophobicContact CB-CD2 3.76Å; W75-L127 HydrophobicContact CD2-CD2 3.94Å; W75-L127 HydrophobicContact CE3-CD2 4Å; W75-L127 HydrophobicContact CG-CD2 3.85Å
76F98.7Very high95.3Very high3 Ų359.8 Ų59.81%0.01333%0.326CS..SBendtrans-158.2162-179.353-95.9000108.8S74 L78 I92 Q123 L127 W148S74-F76 PolarHBondContact OG-O 3.29Å; F76-L78 HydrophobicContact CE2-CD1 4.37Å; F76-L78 PolarHBondContact O-N 3.37Å; F76-I92 HydrophobicContact CB-CG1 4.03Å; F76-I92 HydrophobicContact CD1-CG1 3.85Å; F76-I92 HydrophobicContact CD2-CD1 4.14Å; F76-I92 HydrophobicContact CD2-CG1 3.55Å; F76-I92 HydrophobicContact CE1-CG1 4.14Å; F76-I92 HydrophobicContact CE2-CD1 4.17Å; F76-I92 HydrophobicContact CE2-CG1 3.87Å; F76-I92 HydrophobicContact CG-CG1 3.54Å; F76-I92 HydrophobicContact CZ-CG1 4.15Å; F76-Q123 HydrophobicContact CD1-CG 4.25Å; F76-Q123 HydrophobicContact CE1-CG 3.57Å; F76-Q123 HydrophobicContact CE2-CG 4.05Å; F76-Q123 HydrophobicContact CZ-CG 3.47Å; F76-Q123 VanDerWaalsContact CZ-CG 3.47Å; F76-Q123 PolarHBondContact O-NE2 3.44Å; F76-L127 HydrophobicContact CE1-CB 4.19Å; F76-W148 HydrophobicContact CE2-CZ2 4.36Å; F76-W148 HydrophobicContact CZ-CZ2 4.17Å
77D98.5Very high95.4Very high31 Ų3159.6 Ų59.617%0.16632%0.323CS..  trans-67138-179.4-170.520.8000111.3V64 T65 D88V64-D77 WeakPolarHBondContact CA-OD1 3.39Å; T65-D77 WeakPolarHBondContact CB-OD2 3.43Å; T65-D77 PolarHBondContact N-OD1 3.34Å; T65-D77 PolarHBondContact OG1-OD1 3.5Å; T65-D77 PolarHBondContact OG1-OD2 3.15Å; D77-D88 HydrophobicContact CB-CB 3.96Å; D77-D88 WeakPolarHBondContact CB-OD2 3.32Å; D77-D88 PolarHBondContact N-OD2 3.23Å; D77-D88 VanDerWaalsContact O-CB 3.32Å; D77-D88 WeakPolarHBondContact O-CB 3.06Å
78L96.7Very high95.4Very high13 Ų1358.6 Ų58.67%0.06832%0.318CS..BIsolated β-bridgetrans-114.6122.1179.6-165.366.1000108.1L33 V64 L66 F76 L81 W148L33-L78 HydrophobicContact CD2-CD2 4.06Å; V64-L78 HydrophobicContact CG1-CB 4.09Å; L66-L78 WeakPolarHBondContact CB-O 3.33Å; L66-L78 HydrophobicContact CD2-CD2 3.74Å; L66-L78 HydrophobicContact CD2-CG 4.14Å; L66-L78 PolarHBondContact N-O 3.37Å; F76-L78 HydrophobicContact CE2-CD1 4.37Å; F76-L78 PolarHBondContact O-N 3.37Å; L78-L81 HydrophobicContact CD2-CD2 3.81Å; L78-L81 HydrophobicContact CG-CD2 4.48Å; L78-W148 HydrophobicContact CD1-CH2 3.97Å; L78-W148 HydrophobicContact CD1-CZ2 3.83Å
79M96.1Very high95.5Very high67 Ų6754.5 Ų54.533%0.3330%0.297SS..  trans-108.9-14.9-175.6-66169.2-106.100113.1T65 P86 D88T65-M79 HydrophobicContact CG2-CB 4.43Å; T65-M79 HydrophobicContact CG2-CG 3.96Å; M79-P86 HydrophobicContact SD-CB 3.97Å; M79-D88 HydrophobicContact CE-CB 3.76Å
80G92.9Very high95.5Very high18 Ų1851 Ų5119%0.18630%0.295CS..  trans-171.3167.5179.700000111.7
81L89.3Confident95.6Very high57 Ų5745.7 Ų45.730%0.29827%0.273SS..SBendtrans-117.424.1177.9-63.7176.8000111.6L66 L78 M179 I180 F184L66-L81 HydrophobicContact CD2-CD1 4.1Å; L66-L81 HydrophobicContact CD2-CD2 4.16Å; L66-L81 HydrophobicContact CD2-CG 3.85Å; L78-L81 HydrophobicContact CD2-CD2 3.81Å; L78-L81 HydrophobicContact CG-CD2 4.48Å; L81-M179 HydrophobicContact CD1-CE 3.95Å; L81-I180 HydrophobicContact CD2-CD1 3.85Å; L81-F184 WeakPolarHBondContact O-CE2 3.4Å
82S88.3Confident95.6Very high67 Ų6742 Ų4247%0.46925%0.251SS..SBendtrans-113.2159.2175.871.70000111D84 A85S82-D84 PolarHBondContact O-N 3.35Å; S82-A85 VanDerWaalsContact O-CB 3.29Å; S82-A85 WeakPolarHBondContact O-CB 3.37Å; S82-A85 PolarHBondContact O-N 2.96Å; S82-A85 VanDerWaalsContact O-N 3.1Å; S82-A85 PolarHBondContact OG-N 3.22Å
83P83.1Confident95.6Very high51 Ų5145 Ų4533%0.33126%0.263SS..THydrogen-bonded Turntrans-67.4-20.6-175.3-20.836.1000113.4H152 F184P83-H152 PolarHBondContact O-CE1 3.36Å; P83-F184 HydrophobicContact CG-CD1 3.55Å; P83-F184 HydrophobicContact CG-CD2 4.36Å; P83-F184 HydrophobicContact CG-CE1 3.21Å; P83-F184 HydrophobicContact CG-CE2 4.08Å; P83-F184 HydrophobicContact CG-CG 4.15Å; P83-F184 HydrophobicContact CG-CZ 3.54Å
84D89.1Confident95.6Very high124 Ų12451.5 Ų51.566%0.66329%0.289SS*.THydrogen-bonded Turntrans-103.14.5178.8-65.2-53000112.9S82 K153S82-D84 PolarHBondContact O-N 3.35Å; D84-K153 IonicContact OD1-NZ 2.61Å; D84-K153 PolarHBondContact OD1-NZ 3.5Å; D84-K153 VanDerWaalsContact OD1-NZ 3.13Å
85A93.7Very high95.6Very high19 Ų1951.8 Ų51.816%0.15729%0.292CS..SBendtrans-61.9142.9172.100000110.3S82S82-A85 VanDerWaalsContact O-CB 3.29Å; S82-A85 WeakPolarHBondContact O-CB 3.37Å; S82-A85 PolarHBondContact O-N 2.96Å; S82-A85 VanDerWaalsContact O-N 3.1Å; S82-A85 PolarHBondContact OG-N 3.22Å
86P96.6Very high95.6Very high92 Ų9251.1 Ų51.160%0.59729%0.289SS*.  trans-57.1141.8167.9-22.933.8000111.2M79M79-P86 HydrophobicContact SD-CB 3.97Å
87E97.9Very high95.5Very high60 Ų6056.1 Ų56.128%0.2831%0.313SS..BIsolated β-bridgetrans-117.6146.3177.8-67.2-172.3103.700110.6E89 I92 W148 P150 L151E87-E89 VanDerWaalsContact C-N 3.28Å; E87-E89 PolarHBondContact O-N 2.91Å; E87-I92 HydrophobicContact CB-CD1 4.01Å; E87-W148 PolarHBondContact OE1-NE1 3.06Å; E87-P150 WeakPolarHBondContact OE1-CA 3.39Å; E87-P150 VanDerWaalsContact OE1-CB 3.27Å; E87-P150 WeakPolarHBondContact OE1-CB 3.39Å; E87-L151 HydrophobicContact CB-CD2 3.9Å; E87-L151 WeakPolarHBondContact OE2-CA 3.5Å; E87-L151 PolarHBondContact OE2-N 3.35Å
88D98.1Very high95.5Very high39 Ų3958 Ų5821%0.20932%0.323CS..  trans-77.675.2178.2178.713.2000110.6D77 M79 A90 G91 I92D77-D88 HydrophobicContact CB-CB 3.96Å; D77-D88 WeakPolarHBondContact CB-OD2 3.32Å; D77-D88 PolarHBondContact N-OD2 3.23Å; D77-D88 VanDerWaalsContact O-CB 3.32Å; D77-D88 WeakPolarHBondContact O-CB 3.06Å; M79-D88 HydrophobicContact CE-CB 3.76Å; D88-A90 PolarHBondContact O-N 3.38Å; D88-G91 PolarHBondContact O-N 3.32Å; D88-G91 VanDerWaalsContact O-N 3.16Å; D88-G91 PolarHBondContact OD1-N 3.02Å; D88-G91 VanDerWaalsContact OD2-CA 3.29Å; D88-G91 WeakPolarHBondContact OD2-CA 3.39Å; D88-I92 WeakPolarHBondContact O-CB 3.32Å; D88-I92 WeakPolarHBondContact O-CD1 3.48Å; D88-I92 WeakPolarHBondContact O-CG1 3.34Å; D88-I92 PolarHBondContact O-N 3.49Å
89E98.4Very high95.5Very high99 Ų9957.4 Ų57.446%0.46332%0.319SS..Hα-helixtrans-54-41.8-176176.2171.6-176.400112.6E87 K93 L151E87-E89 VanDerWaalsContact C-N 3.28Å; E87-E89 PolarHBondContact O-N 2.91Å; E89-K93 HydrophobicContact CG-CD 4.22Å; E89-K93 WeakPolarHBondContact O-CB 3.4Å; E89-K93 WeakPolarHBondContact O-CG 3.24Å; E89-K93 PolarHBondContact O-N 3.46Å; E89-K93 VanDerWaalsContact OE1-CE 3.24Å; E89-K93 WeakPolarHBondContact OE1-CE 3.32Å; E89-K93 IonicContact OE1-NZ 2.74Å; E89-K93 PolarHBondContact OE1-NZ 3.45Å; E89-L151 HydrophobicContact CB-CD1 4.18Å; E89-L151 HydrophobicContact CB-CD2 3.99Å; E89-L151 HydrophobicContact CG-CD1 3.8Å; E89-L151 HydrophobicContact CG-CD2 4.35Å
90A98.4Very high95.6Very high73 Ų7355.9 Ų55.960%0.60331%0.311SS*.Hα-helixtrans-66.7-45.5179.400000111.6D88 K94D88-A90 PolarHBondContact O-N 3.38Å; A90-K94 VanDerWaalsContact O-CB 3.32Å; A90-K94 WeakPolarHBondContact O-CB 3.45Å; A90-K94 PolarHBondContact O-N 2.81Å
91G98.6Very high95.8Very high14 Ų1457 Ų5714%0.14432%0.318CS..Hα-helixtrans-65.5-41.8176.700000112.9D88 K93 K94 A95D88-G91 PolarHBondContact O-N 3.32Å; D88-G91 VanDerWaalsContact O-N 3.16Å; D88-G91 PolarHBondContact OD1-N 3.02Å; D88-G91 VanDerWaalsContact OD2-CA 3.29Å; D88-G91 WeakPolarHBondContact OD2-CA 3.39Å; G91-K93 PolarHBondContact O-N 3.2Å; G91-K94 PolarHBondContact O-N 3.15Å; G91-A95 VanDerWaalsContact O-CB 3.27Å; G91-A95 WeakPolarHBondContact O-CB 3.38Å; G91-A95 PolarHBondContact O-N 2.86Å
92I98.8Very high96.3Very high0 Ų054.3 Ų54.30%030%0.304CS..Hα-helixtrans-59.5-49.1176.5-68.5158.6000110.3F76 E87 D88 A95 A96 Y130 P150 L151F76-I92 HydrophobicContact CB-CG1 4.03Å; F76-I92 HydrophobicContact CD1-CG1 3.85Å; F76-I92 HydrophobicContact CD2-CD1 4.14Å; F76-I92 HydrophobicContact CD2-CG1 3.55Å; F76-I92 HydrophobicContact CE1-CG1 4.14Å; F76-I92 HydrophobicContact CE2-CD1 4.17Å; F76-I92 HydrophobicContact CE2-CG1 3.87Å; F76-I92 HydrophobicContact CG-CG1 3.54Å; F76-I92 HydrophobicContact CZ-CG1 4.15Å; E87-I92 HydrophobicContact CB-CD1 4.01Å; D88-I92 WeakPolarHBondContact O-CB 3.32Å; D88-I92 WeakPolarHBondContact O-CD1 3.48Å; D88-I92 WeakPolarHBondContact O-CG1 3.34Å; D88-I92 PolarHBondContact O-N 3.49Å; I92-A95 PolarHBondContact O-N 2.71Å; I92-A96 WeakPolarHBondContact O-CB 3.26Å; I92-A96 PolarHBondContact O-N 3.42Å; I92-Y130 HydrophobicContact CG2-CD1 3.8Å; I92-Y130 HydrophobicContact CG2-CD2 4.17Å; I92-Y130 HydrophobicContact CG2-CE1 4.01Å; I92-Y130 HydrophobicContact CG2-CE2 4.38Å; I92-Y130 HydrophobicContact CG2-CG 3.88Å; I92-P150 HydrophobicContact CD1-CB 4.02Å; I92-P150 HydrophobicContact CG2-CG 4.32Å; I92-L151 HydrophobicContact CD1-CD1 4.43Å; I92-L151 HydrophobicContact CD1-CD2 4.25Å; I92-L151 HydrophobicContact CD1-CG 4.11Å; I92-L151 HydrophobicContact CG2-CD1 4.22Å
93K98.4Very high96.7Very high90 Ų9051.1 Ų51.139%0.39128%0.282SS..Hα-helixtrans-61.6-46.1177.1-75.3177.4-175.2175.10111.8E89 G91 A95 A96 E97 Y130E89-K93 HydrophobicContact CG-CD 4.22Å; E89-K93 WeakPolarHBondContact O-CB 3.4Å; E89-K93 WeakPolarHBondContact O-CG 3.24Å; E89-K93 PolarHBondContact O-N 3.46Å; E89-K93 VanDerWaalsContact OE1-CE 3.24Å; E89-K93 WeakPolarHBondContact OE1-CE 3.32Å; E89-K93 IonicContact OE1-NZ 2.74Å; E89-K93 PolarHBondContact OE1-NZ 3.45Å; G91-K93 PolarHBondContact O-N 3.2Å; K93-A95 VanDerWaalsContact C-N 3.35Å; K93-A95 PolarHBondContact O-N 2.89Å; K93-A96 WeakPolarHBondContact O-CB 3.35Å; K93-A96 PolarHBondContact O-N 3.5Å; K93-E97 WeakPolarHBondContact O-CG 3.42Å; K93-E97 PolarHBondContact O-N 3.05Å; K93-Y130 HydrophobicContact CG-CE1 4.27Å; K93-Y130 WeakPolarHBondContact CG-OH 3.27Å
94K98.4Very high97.4Very high151 Ų15152.7 Ų52.766%0.65729%0.285SS*.Hα-helixtrans-60.5-44.3177.8-176.5-178.4179.1-177.40111.7A90 G91 A96 E97 N98A90-K94 VanDerWaalsContact O-CB 3.32Å; A90-K94 WeakPolarHBondContact O-CB 3.45Å; A90-K94 PolarHBondContact O-N 2.81Å; G91-K94 PolarHBondContact O-N 3.15Å; K94-A96 VanDerWaalsContact C-N 3.32Å; K94-A96 PolarHBondContact O-N 3.45Å; K94-E97 PolarHBondContact O-N 2.81Å; K94-N98 PolarHBondContact O-N 3.05Å; K94-N98 VanDerWaalsContact O-N 3.15Å; K94-N98 PolarHBondContact O-ND2 3.07Å
95A98.4Very high97.8Very high6 Ų649.6 Ų49.65%0.0527%0.266CS..Hα-helixtrans-63.3-41.3177.300000110.9W75 G91 I92 K93 E97 N98 I99 L127W75-A95 WeakPolarHBondContact O-CB 3.37Å; G91-A95 VanDerWaalsContact O-CB 3.27Å; G91-A95 WeakPolarHBondContact O-CB 3.38Å; G91-A95 PolarHBondContact O-N 2.86Å; I92-A95 PolarHBondContact O-N 2.71Å; K93-A95 VanDerWaalsContact C-N 3.35Å; K93-A95 PolarHBondContact O-N 2.89Å; A95-E97 PolarHBondContact O-N 2.93Å; A95-N98 WeakPolarHBondContact O-CB 3.34Å; A95-N98 PolarHBondContact O-N 2.65Å; A95-N98 VanDerWaalsContact O-N 3.15Å; A95-I99 WeakPolarHBondContact O-CG1 3.17Å; A95-I99 PolarHBondContact O-N 2.89Å; A95-L127 HydrophobicContact CB-CD1 3.84Å; A95-L127 HydrophobicContact CB-CD2 3.68Å; A95-L127 HydrophobicContact CB-CG 4.46Å
96A98.4Very high98Very high0 Ų048.9 Ų48.90%026%0.26CS..Hα-helixtrans-61.7-41.9177.400000112.2I92 K93 K94 N98 I99 K100 L127 Y130 T131I92-A96 WeakPolarHBondContact O-CB 3.26Å; I92-A96 PolarHBondContact O-N 3.42Å; K93-A96 WeakPolarHBondContact O-CB 3.35Å; K93-A96 PolarHBondContact O-N 3.5Å; K94-A96 VanDerWaalsContact C-N 3.32Å; K94-A96 PolarHBondContact O-N 3.45Å; A96-N98 VanDerWaalsContact C-N 3.32Å; A96-N98 PolarHBondContact O-N 2.73Å; A96-I99 PolarHBondContact O-N 3.06Å; A96-K100 WeakPolarHBondContact O-CG 3.36Å; A96-K100 PolarHBondContact O-N 3.49Å; A96-L127 HydrophobicContact CB-CD1 4.13Å; A96-Y130 HydrophobicContact CB-CD1 3.74Å; A96-Y130 HydrophobicContact CB-CE1 3.95Å; A96-T131 WeakPolarHBondContact CA-OG1 3.49Å; A96-T131 HydrophobicContact CB-CG2 4.45Å; A96-T131 WeakPolarHBondContact CB-OG1 3.19Å
97E97.8Very high98.1Very high108 Ų10846.5 Ų46.551%0.50524%0.244SC..Hα-helixtrans-62.8-37.6174.5-66-50.1125.200112.4K93 K94 A95 I99 K100 A101K93-E97 WeakPolarHBondContact O-CG 3.42Å; K93-E97 PolarHBondContact O-N 3.05Å; K94-E97 PolarHBondContact O-N 2.81Å; A95-E97 PolarHBondContact O-N 2.93Å; E97-I99 VanDerWaalsContact C-N 3.33Å; E97-I99 PolarHBondContact O-N 2.92Å; E97-K100 PolarHBondContact O-N 3.02Å; E97-K100 WeakPolarHBondContact OE1-CD 3.14Å; E97-K100 IonicContact OE1-NZ 3.13Å; E97-K100 PolarHBondContact OE1-NZ 3.17Å; E97-A101 PolarHBondContact O-N 3.18Å
98N97.6Very high98Very high70 Ų7050.5 Ų50.537%0.37426%0.26SS..Hα-helixtrans-63.3-39.5174.3-64.1-30.9000111.9L10 K94 A95 A96 A101 I102L10-N98 HydrophobicContact CD1-CB 3.65Å; K94-N98 PolarHBondContact O-N 3.05Å; K94-N98 VanDerWaalsContact O-N 3.15Å; K94-N98 PolarHBondContact O-ND2 3.07Å; A95-N98 WeakPolarHBondContact O-CB 3.34Å; A95-N98 PolarHBondContact O-N 2.65Å; A95-N98 VanDerWaalsContact O-N 3.15Å; A96-N98 VanDerWaalsContact C-N 3.32Å; A96-N98 PolarHBondContact O-N 2.73Å; N98-A101 WeakPolarHBondContact O-CB 3.39Å; N98-A101 PolarHBondContact O-N 3.32Å; N98-I102 PolarHBondContact O-N 2.99Å
99I98.4Very high98Very high0 Ų053.3 Ų53.30%028%0.275CS..Hα-helixtrans-70.8-37.8176.3-59.6-49.8000111.3L10 L30 W75 A95 A96 E97 A101 I102 I103 L118 L127 T131L10-I99 HydrophobicContact CD1-CD1 4.05Å; L30-I99 HydrophobicContact CD1-CD1 4.05Å; L30-I99 HydrophobicContact CD1-CG1 3.93Å; L30-I99 HydrophobicContact CD2-CD1 3.65Å; L30-I99 HydrophobicContact CD2-CG1 4.4Å; W75-I99 HydrophobicContact CZ3-CD1 4.16Å; A95-I99 WeakPolarHBondContact O-CG1 3.17Å; A95-I99 PolarHBondContact O-N 2.89Å; A96-I99 PolarHBondContact O-N 3.06Å; E97-I99 VanDerWaalsContact C-N 3.33Å; E97-I99 PolarHBondContact O-N 2.92Å; I99-A101 PolarHBondContact O-N 3.14Å; I99-I102 HydrophobicContact CD1-CD1 4.01Å; I99-I102 WeakPolarHBondContact O-CB 3.41Å; I99-I102 PolarHBondContact O-N 3.13Å; I99-I103 PolarHBondContact O-N 3.39Å; I99-L118 HydrophobicContact CG2-CD1 3.67Å; I99-L118 HydrophobicContact CG2-CD2 4.02Å; I99-L127 HydrophobicContact CG1-CD2 3.95Å; I99-L127 HydrophobicContact CG1-CG 4.38Å; I99-T131 HydrophobicContact CB-CG2 3.97Å; I99-T131 HydrophobicContact CG2-CG2 3.82Å
100K97.7Very high97.9Very high36 Ų3651.5 Ų51.516%0.15728%0.283CS..Hα-helixtrans-59.9-35.2171.9-70.7172.5-167.1172.70111.8A96 E97 I102 I103 E104 T131 T134A96-K100 WeakPolarHBondContact O-CG 3.36Å; A96-K100 PolarHBondContact O-N 3.49Å; E97-K100 PolarHBondContact O-N 3.02Å; E97-K100 WeakPolarHBondContact OE1-CD 3.14Å; E97-K100 IonicContact OE1-NZ 3.13Å; E97-K100 PolarHBondContact OE1-NZ 3.17Å; K100-I102 VanDerWaalsContact C-N 3.33Å; K100-I102 PolarHBondContact O-N 3.26Å; K100-I103 WeakPolarHBondContact O-CB 3.38Å; K100-I103 PolarHBondContact O-N 2.82Å; K100-E104 PolarHBondContact O-N 3.27Å; K100-T131 HydrophobicContact CG-CG2 3.83Å; K100-T134 PolarHBondContact NZ-O 3.48Å; K100-T134 PolarHBondContact NZ-OG1 3.4Å
101A97.4Very high97.9Very high41 Ų4148.3 Ų48.334%0.33926%0.256SS..Hα-helixtrans-64.2-35.2173.700000112.9V8 E97 N98 I99 H105V8-A101 HydrophobicContact CG1-CB 4.29Å; E97-A101 PolarHBondContact O-N 3.18Å; N98-A101 WeakPolarHBondContact O-CB 3.39Å; N98-A101 PolarHBondContact O-N 3.32Å; I99-A101 PolarHBondContact O-N 3.14Å; A101-H105 WeakPolarHBondContact O-CB 3.08Å; A101-H105 PolarHBondContact O-N 2.8Å
102I97.9Very high97.9Very high0 Ų050.3 Ų50.30%027%0.266CS..Hα-helixtrans-63.9-47.8171.4-56.5179.8000109.7V8 L10 L11 I28 P57 N98 I99 K100 E104 H105 E106V8-I102 HydrophobicContact CG1-CG1 3.78Å; L10-I102 HydrophobicContact CB-CD1 4Å; L10-I102 HydrophobicContact CD1-CD1 4.38Å; L11-I102 HydrophobicContact CD1-CG2 4.13Å; L11-I102 HydrophobicContact CD2-CG2 3.87Å; L11-I102 HydrophobicContact CG-CG1 4.14Å; L11-I102 HydrophobicContact CG-CG2 4.01Å; I28-I102 HydrophobicContact CD1-CB 4.3Å; I28-I102 HydrophobicContact CD1-CG2 3.66Å; I28-I102 HydrophobicContact CG1-CG2 4.08Å; I28-I102 HydrophobicContact CG2-CG2 4.44Å; P57-I102 HydrophobicContact CB-CD1 4.21Å; P57-I102 HydrophobicContact CG-CD1 4.13Å; N98-I102 PolarHBondContact O-N 2.99Å; I99-I102 HydrophobicContact CD1-CD1 4.01Å; I99-I102 WeakPolarHBondContact O-CB 3.41Å; I99-I102 PolarHBondContact O-N 3.13Å; K100-I102 VanDerWaalsContact C-N 3.33Å; K100-I102 PolarHBondContact O-N 3.26Å; I102-E104 VanDerWaalsContact C-N 3.35Å; I102-E104 PolarHBondContact O-N 3.45Å; I102-H105 WeakPolarHBondContact O-CB 3.49Å; I102-H105 PolarHBondContact O-N 2.68Å; I102-H105 VanDerWaalsContact O-N 3.15Å; I102-E106 WeakPolarHBondContact O-CG 3.29Å; I102-E106 PolarHBondContact O-N 3.27Å
103I98.1Very high97.9Very high0 Ų051.6 Ų51.60%028%0.275CS..Hα-helixtrans-56.2-49.8177.2-65.6167.2000110.5I28 I99 K100 H105 E106 V107 I116 T131 L139I28-I103 HydrophobicContact CD1-CG1 3.72Å; I99-I103 PolarHBondContact O-N 3.39Å; K100-I103 WeakPolarHBondContact O-CB 3.38Å; K100-I103 PolarHBondContact O-N 2.82Å; I103-H105 VanDerWaalsContact C-N 3.29Å; I103-H105 PolarHBondContact O-N 3.15Å; I103-E106 PolarHBondContact O-N 3.16Å; I103-E106 VanDerWaalsContact O-N 3.17Å; I103-V107 HydrophobicContact CG2-CG2 4.44Å; I103-V107 VanDerWaalsContact O-CG2 3.27Å; I103-V107 WeakPolarHBondContact O-CG2 3.43Å; I103-V107 PolarHBondContact O-N 2.91Å; I103-I116 HydrophobicContact CG2-CD1 4.13Å; I103-T131 HydrophobicContact CD1-CG2 4.48Å; I103-L139 HydrophobicContact CD1-CD1 4.02Å; I103-L139 HydrophobicContact CD1-CD2 4.26Å; I103-L139 HydrophobicContact CG2-CD2 3.95Å
104E97.7Very high97.9Very high85 Ų8551.8 Ų51.840%0.39728%0.28SS..Hα-helixtrans-60.5-38178-84.3-153.3-161.800113.1K100 I102 E106 V107 K108K100-E104 PolarHBondContact O-N 3.27Å; I102-E104 VanDerWaalsContact C-N 3.35Å; I102-E104 PolarHBondContact O-N 3.45Å; E104-E106 VanDerWaalsContact C-N 3.34Å; E104-V107 PolarHBondContact O-N 2.91Å; E104-K108 WeakPolarHBondContact O-CB 3.5Å; E104-K108 VanDerWaalsContact O-CG 3.29Å; E104-K108 WeakPolarHBondContact O-CG 3.32Å; E104-K108 PolarHBondContact O-N 3.08Å; E104-K108 IonicContact OE2-NZ 2.75Å; E104-K108 PolarHBondContact OE2-NZ 3.24Å
105H97.6Very high97.9Very high58 Ų5845.3 Ų45.327%0.26925%0.251SS..Hα-helixtrans-61.4-45175.4175.3-87.6000111V8 L11 A101 I102 I103 V107 K108 N109V8-H105 HydrophobicContact CG2-CB 3.92Å; L11-H105 HydrophobicContact CD1-CB 3.88Å; L11-H105 VanDerWaalsContact CD1-CG 3.49Å; L11-H105 VanDerWaalsContact CD1-ND1 3.27Å; L11-H105 WeakPolarHBondContact CD1-ND1 3.3Å; A101-H105 WeakPolarHBondContact O-CB 3.08Å; A101-H105 PolarHBondContact O-N 2.8Å; I102-H105 WeakPolarHBondContact O-CB 3.49Å; I102-H105 PolarHBondContact O-N 2.68Å; I102-H105 VanDerWaalsContact O-N 3.15Å; I103-H105 VanDerWaalsContact C-N 3.29Å; I103-H105 PolarHBondContact O-N 3.15Å; H105-V107 VanDerWaalsContact C-N 3.33Å; H105-V107 PolarHBondContact O-N 3.29Å; H105-K108 PolarHBondContact O-N 2.89Å; H105-N109 PolarHBondContact CD2-ND2 3.29Å; H105-N109 PolarHBondContact CE1-ND2 2.63Å; H105-N109 PolarHBondContact ND1-ND2 2.91Å; H105-N109 PolarHBondContact NE2-ND2 3Å; H105-N109 VanDerWaalsContact NE2-ND2 3.14Å; H105-N109 WeakPolarHBondContact O-CB 3.34Å; H105-N109 PolarHBondContact O-N 3.39Å; H105-N109 PolarHBondContact O-ND2 3.12Å
106E97.9Very high97.9Very high4 Ų445 Ų452%0.01925%0.249CC..Hα-helixtrans-63.9-39.7177.5-62.9-43.3123.700112.8K53 I55 I102 I103 E104 N109 G110 I111 I116K53-E106 WeakPolarHBondContact CE-OE2 3.44Å; K53-E106 IonicContact NZ-OE1 3.72Å; K53-E106 IonicContact NZ-OE2 3.73Å; K53-E106 PolarHBondContact NZ-OE2 3.43Å; I55-E106 HydrophobicContact CD1-CG 3.93Å; I102-E106 WeakPolarHBondContact O-CG 3.29Å; I102-E106 PolarHBondContact O-N 3.27Å; I103-E106 PolarHBondContact O-N 3.16Å; I103-E106 VanDerWaalsContact O-N 3.17Å; E104-E106 VanDerWaalsContact C-N 3.34Å; E106-N109 CarbonylContact O-C 3.58Å; E106-N109 PolarHBondContact O-N 3.31Å; E106-G110 PolarHBondContact O-N 3.43Å; E106-I111 PolarHBondContact O-N 2.85Å; E106-I116 HydrophobicContact CB-CD1 3.79Å
107V97.8Very high97.9Very high43 Ų4345 Ų4526%0.26125%0.249SC..Hα-helixtrans-62.1-46.3174.9175.10000111.5I103 E104 H105 N109 G110 I111 P113 I116I103-V107 HydrophobicContact CG2-CG2 4.44Å; I103-V107 VanDerWaalsContact O-CG2 3.27Å; I103-V107 WeakPolarHBondContact O-CG2 3.43Å; I103-V107 PolarHBondContact O-N 2.91Å; E104-V107 PolarHBondContact O-N 2.91Å; H105-V107 VanDerWaalsContact C-N 3.33Å; H105-V107 PolarHBondContact O-N 3.29Å; V107-N109 PolarHBondContact O-N 2.91Å; V107-G110 PolarHBondContact O-N 3.03Å; V107-G110 VanDerWaalsContact O-N 3.1Å; V107-I111 VanDerWaalsContact CA-O 3.25Å; V107-I111 WeakPolarHBondContact CA-O 3.49Å; V107-P113 HydrophobicContact CG1-CG 4.3Å; V107-P113 HydrophobicContact CG2-CB 4.13Å; V107-P113 HydrophobicContact CG2-CG 3.59Å; V107-I116 HydrophobicContact CG2-CD1 4Å
108K97.3Very high98Very high143 Ų14339.9 Ų39.962%0.62223%0.225SC*.Hα-helixtrans-63.5-29177-73.9167.6-170.3159.30112.4E104 H105 G110E104-K108 WeakPolarHBondContact O-CB 3.5Å; E104-K108 VanDerWaalsContact O-CG 3.29Å; E104-K108 WeakPolarHBondContact O-CG 3.32Å; E104-K108 PolarHBondContact O-N 3.08Å; E104-K108 IonicContact OE2-NZ 2.75Å; E104-K108 PolarHBondContact OE2-NZ 3.24Å; H105-K108 PolarHBondContact O-N 2.89Å; K108-G110 VanDerWaalsContact C-N 3.32Å
109N96.4Very high98Very high98 Ų9836.6 Ų36.652%0.52421%0.207SC..THydrogen-bonded Turntrans-90.711.5177.1-70.9-65.6000113.9H105 E106 V107H105-N109 PolarHBondContact CD2-ND2 3.29Å; H105-N109 PolarHBondContact CE1-ND2 2.63Å; H105-N109 PolarHBondContact ND1-ND2 2.91Å; H105-N109 PolarHBondContact NE2-ND2 3Å; H105-N109 VanDerWaalsContact NE2-ND2 3.14Å; H105-N109 WeakPolarHBondContact O-CB 3.34Å; H105-N109 PolarHBondContact O-N 3.39Å; H105-N109 PolarHBondContact O-ND2 3.12Å; E106-N109 CarbonylContact O-C 3.58Å; E106-N109 PolarHBondContact O-N 3.31Å; V107-N109 PolarHBondContact O-N 2.91Å
110G97.2Very high98.1Very high61 Ų6136.6 Ų36.663%0.62921%0.207SC*.THydrogen-bonded Turntrans986.1166.100000116E106 V107 K108 P112E106-G110 PolarHBondContact O-N 3.43Å; V107-G110 PolarHBondContact O-N 3.03Å; V107-G110 VanDerWaalsContact O-N 3.1Å; K108-G110 VanDerWaalsContact C-N 3.32Å; G110-P112 WeakPolarHBondContact O-CD 3.41Å
111I98.4Very high98.1Very high7 Ų735.9 Ų35.94%0.03620%0.204CC..  trans-93.1107.5169.5-61.9176.9000108.3A26 K53 E106 V107 R115 I116A26-I111 HydrophobicContact CB-CD1 4.04Å; A26-I111 HydrophobicContact CB-CG2 4.37Å; K53-I111 HydrophobicContact CD-CD1 3.9Å; K53-I111 VanDerWaalsContact CE-CD1 3.43Å; K53-I111 HydrophobicContact CG-CD1 4.45Å; E106-I111 PolarHBondContact O-N 2.85Å; V107-I111 VanDerWaalsContact CA-O 3.25Å; V107-I111 WeakPolarHBondContact CA-O 3.49Å; I111-R115 HydrophobicContact CG2-CB 4.01Å; I111-I116 HydrophobicContact CG2-CD1 4.37Å; I111-I116 HydrophobicContact CG2-CG1 3.81Å
112P98.3Very high98.2Very high56 Ų5634.5 Ų34.536%0.36419%0.192SC..  trans-65.3152.6-176.129.3-35.4000111G110 N114 R115G110-P112 WeakPolarHBondContact O-CD 3.41Å; P112-N114 VanDerWaalsContact C-N 3.26Å; P112-N114 WeakPolarHBondContact CB-OD1 3.49Å; P112-N114 PolarHBondContact O-N 2.81Å; P112-N114 VanDerWaalsContact O-N 3.16Å; P112-R115 HydrophobicContact CG-CB 4.02Å; P112-R115 HydrophobicContact CG-CG 3.57Å; P112-R115 WeakPolarHBondContact O-CA 3.42Å; P112-R115 WeakPolarHBondContact O-CB 3.29Å; P112-R115 PolarHBondContact O-N 2.83Å
113P98.1Very high98.2Very high27 Ų2734.5 Ų34.518%0.17519%0.192CC..G310 helixtrans-61.1-33-171.6-14.220.1000114.4V107 R115 I116 H137 Q138 L139V107-P113 HydrophobicContact CG1-CG 4.3Å; V107-P113 HydrophobicContact CG2-CB 4.13Å; V107-P113 HydrophobicContact CG2-CG 3.59Å; P113-R115 PolarHBondContact O-N 2.9Å; P113-I116 WeakPolarHBondContact O-CB 3.32Å; P113-I116 PolarHBondContact O-N 2.94Å; P113-H137 HydrophobicContact CB-CB 3.63Å; P113-H137 HydrophobicContact CG-CB 3.95Å; P113-Q138 CarbonylContact C-O 3.46Å; P113-L139 HydrophobicContact CB-CD2 4.34Å; P113-L139 WeakPolarHBondContact O-CA 3.23Å
114N98.4Very high98.2Very high93 Ų9334.5 Ų34.550%0.49719%0.192SC..G310 helixtrans-71.24.2175.269.4-19.2000113.7P112 Q138 A140P112-N114 VanDerWaalsContact C-N 3.26Å; P112-N114 WeakPolarHBondContact CB-OD1 3.49Å; P112-N114 PolarHBondContact O-N 2.81Å; P112-N114 VanDerWaalsContact O-N 3.16Å; N114-Q138 WeakPolarHBondContact CA-O 3.16Å; N114-Q138 PolarHBondContact N-O 3.21Å; N114-Q138 VanDerWaalsContact N-O 3.1Å; N114-A140 VanDerWaalsContact O-CB 3.31Å; N114-A140 WeakPolarHBondContact O-CB 3.48Å
115R98.8Very high98.3Very high16 Ų1630.5 Ų30.56%0.0617%0.173CC..G310 helixtrans-114.214.3170.2-64.6-74.6-68.4177.2-1.6112.1T24 A25 A26 I111 P112 P113 L229 P230T24-R115 WeakPolarHBondContact O-CB 3.48Å; T24-R115 PolarHBondContact O-NE 3.17Å; T24-R115 PolarHBondContact OG1-NH2 3.06Å; A25-R115 VanDerWaalsContact CA-O 3.26Å; A25-R115 WeakPolarHBondContact CA-O 3.44Å; A25-R115 HydrophobicContact CB-CB 4.12Å; A25-R115 VanDerWaalsContact CB-O 3.3Å; A25-R115 WeakPolarHBondContact CB-O 3.36Å; A26-R115 PolarHBondContact N-O 3.16Å; I111-R115 HydrophobicContact CG2-CB 4.01Å; P112-R115 HydrophobicContact CG-CB 4.02Å; P112-R115 HydrophobicContact CG-CG 3.57Å; P112-R115 WeakPolarHBondContact O-CA 3.42Å; P112-R115 WeakPolarHBondContact O-CB 3.29Å; P112-R115 PolarHBondContact O-N 2.83Å; P113-R115 PolarHBondContact O-N 2.9Å; R115-L229 HydrophobicContact CB-CD2 4.32Å; R115-L229 VanDerWaalsContact NH1-C 3.3Å; R115-L229 VanDerWaalsContact NH1-CA 3.33Å; R115-L229 WeakPolarHBondContact O-CD2 3.21Å; R115-P230 VanDerWaalsContact CZ-O 3.3Å; R115-P230 PolarHBondContact NH1-O 3.31Å; R115-P230 PolarHBondContact NH2-O 3.25Å
116I98.9Very high98.4Very high0 Ų027.7 Ų27.70%016%0.16CC..EExtended strand (participates in β ladder)trans-113.9122.2178.3-56.3177.6000109.1A26 I28 I103 E106 V107 I111 P113 L139 A140A26-I116 HydrophobicContact CB-CG1 4.44Å; A26-I116 VanDerWaalsContact O-CA 3.32Å; A26-I116 WeakPolarHBondContact O-CA 3.43Å; I28-I116 HydrophobicContact CD1-CG2 3.93Å; I28-I116 HydrophobicContact CG1-CG2 4.46Å; I103-I116 HydrophobicContact CG2-CD1 4.13Å; E106-I116 HydrophobicContact CB-CD1 3.79Å; V107-I116 HydrophobicContact CG2-CD1 4Å; I111-I116 HydrophobicContact CG2-CD1 4.37Å; I111-I116 HydrophobicContact CG2-CG1 3.81Å; P113-I116 WeakPolarHBondContact O-CB 3.32Å; P113-I116 PolarHBondContact O-N 2.94Å; I116-L139 HydrophobicContact CB-CD2 4.27Å; I116-L139 HydrophobicContact CG2-CD2 4.48Å; I116-A140 WeakPolarHBondContact O-CB 3.28Å; I116-A140 PolarHBondContact O-N 2.95Å
117I98.9Very high98.4Very high0 Ų027.5 Ų27.50%016%0.159CC..EExtended strand (participates in β ladder)trans-99.3134.3166.6-69.1176.8000108.1A26 V27 I28 A140 G141 V143 F224 I225 L228 L229A26-I117 PolarHBondContact O-N 3.37Å; V27-I117 WeakPolarHBondContact CA-O 3.27Å; V27-I117 HydrophobicContact CG1-CG2 4.43Å; V27-I117 HydrophobicContact CG2-CB 4.29Å; I28-I117 PolarHBondContact N-O 2.95Å; I117-A140 HydrophobicContact CG1-CB 3.87Å; I117-G141 WeakPolarHBondContact CA-O 3.36Å; I117-V143 HydrophobicContact CG2-CG2 4Å; I117-F224 HydrophobicContact CD1-CE1 4.5Å; I117-I225 HydrophobicContact CD1-CB 4.34Å; I117-I225 HydrophobicContact CD1-CG1 3.99Å; I117-I225 HydrophobicContact CD1-CG2 4.49Å; I117-L228 HydrophobicContact CD1-CB 4.2Å; I117-L228 HydrophobicContact CD1-CD1 4.21Å; I117-L229 HydrophobicContact CD1-CD1 3.65Å; I117-L229 HydrophobicContact CD1-CG 3.9Å; I117-L229 HydrophobicContact CG1-CD1 3.93Å; I117-L229 HydrophobicContact CG1-CG 4.26Å
118L98.9Very high98.5Very high0 Ų025.5 Ų25.50%015%0.147CC..EExtended strand (participates in β ladder)trans-102.1135.6169.4-170.360.2000108.9I28 I99 S128 T131 A132 L139 G141 I142 V143I28-L118 HydrophobicContact CB-CD1 3.75Å; I28-L118 HydrophobicContact CG2-CD1 3.77Å; I99-L118 HydrophobicContact CG2-CD1 3.67Å; I99-L118 HydrophobicContact CG2-CD2 4.02Å; L118-S128 WeakPolarHBondContact CD2-O 3.33Å; L118-T131 HydrophobicContact CD2-CG2 3.83Å; L118-A132 HydrophobicContact CD2-CB 4.26Å; L118-L139 HydrophobicContact CB-CD1 4.4Å; L118-G141 PolarHBondContact N-O 2.97Å; L118-G141 VanDerWaalsContact N-O 3.13Å; L118-I142 CarbonylContact O-C 3.52Å; L118-I142 WeakPolarHBondContact O-CA 3.26Å; L118-I142 WeakPolarHBondContact O-CG2 3.49Å; L118-V143 PolarHBondContact O-N 2.79Å
119G98.9Very high98.5Very high0 Ų018.7 Ų18.70%012%0.117CC..EExtended strand (participates in β ladder)trans-152169.8178.800000113.3I28 F29 L30 S128 V143I28-G119 PolarHBondContact O-N 2.84Å; F29-G119 CarbonylContact C-O 3.58Å; F29-G119 VanDerWaalsContact CA-O 3.23Å; F29-G119 WeakPolarHBondContact CA-O 3.24Å; L30-G119 PolarHBondContact N-O 3.09Å; G119-S128 PolarHBondContact O-OG 3.06Å; G119-V143 CarbonylContact C-O 3.52Å; G119-V143 WeakPolarHBondContact CA-O 3.46Å
120G98.9Very high98.6Very high0 Ų014.9 Ų14.90%010%0.096CC..EExtended strand (participates in β ladder)trans179.9172.9176.600000113.7L30 G125 V143 L145L30-G120 CarbonylContact O-C 3.6Å; L30-G120 WeakPolarHBondContact O-CA 3.5Å; G120-G125 VanDerWaalsContact C-N 3.3Å; G120-G125 VanDerWaalsContact O-CA 3.32Å; G120-G125 WeakPolarHBondContact O-CA 3.23Å; G120-V143 PolarHBondContact N-O 2.8Å; G120-L145 PolarHBondContact O-N 2.84Å
121F98.9Very high98.7Very high21 Ų2112 Ų129%0.0927%0.066CC..EExtended strand (participates in β ladder)trans-115138.9178.4176.5-96.7000111.2F29 L30 G32 W40 Q123 G124 G125 L145 H211F29-F121 HydrophobicContact CE1-CB 4.26Å; F29-F121 HydrophobicContact CZ-CB 4.39Å; L30-F121 PolarHBondContact O-N 2.93Å; G32-F121 WeakPolarHBondContact CA-O 3.43Å; G32-F121 PolarHBondContact N-O 3.07Å; W40-F121 HydrophobicContact CH2-CB 3.92Å; W40-F121 AromaticContact CH2-CD2 3.94Å; W40-F121 HydrophobicContact CH2-CD2 3.94Å; W40-F121 HydrophobicContact CH2-CG 4.1Å; W40-F121 HydrophobicContact CZ2-CB 3.24Å; W40-F121 HydrophobicContact CZ2-CD1 4.01Å; W40-F121 AromaticContact CZ2-CD2 3.57Å; W40-F121 HydrophobicContact CZ2-CD2 3.57Å; W40-F121 HydrophobicContact CZ2-CE2 4.41Å; W40-F121 AromaticContact CZ2-CG 3.33Å; W40-F121 HydrophobicContact CZ2-CG 3.33Å; F121-Q123 PolarHBondContact O-N 3.41Å; F121-G124 PolarHBondContact O-N 3.01Å; F121-G125 PolarHBondContact O-N 2.83Å; F121-L145 CarbonylContact C-O 3.57Å; F121-L145 WeakPolarHBondContact CA-O 3.49Å; F121-L145 HydrophobicContact CB-CB 4.45Å; F121-L145 HydrophobicContact CD2-CB 3.96Å; F121-H211 AromaticContact CE1-CD2 3.96Å; F121-H211 AromaticContact CE1-NE2 3.6Å; F121-H211 AromaticContact CZ-CD2 3.8Å; F121-H211 AromaticContact CZ-CE1 3.77Å; F121-H211 AromaticContact CZ-ND1 3.98Å; F121-H211 AromaticContact CZ-NE2 3.68Å
122S98.5Very high98.7Very high12 Ų1211.6 Ų11.68%0.0846%0.064CC..THydrogen-bonded Turntrans51.7-122176.2-1710000111.4G124 G125 A126 L145 S146 C147 H211S122-G124 VanDerWaalsContact C-N 3.25Å; S122-G124 PolarHBondContact O-N 2.77Å; S122-G125 PolarHBondContact O-N 2.98Å; S122-A126 PolarHBondContact O-N 3.17Å; S122-L145 PolarHBondContact N-O 2.88Å; S122-S146 WeakPolarHBondContact CA-O 3.43Å; S122-C147 WeakPolarHBondContact O-CB 3.16Å; S122-H211 WeakPolarHBondContact CB-NE2 3.33Å; S122-H211 PolarHBondContact OG-CE1 3.37Å; S122-H211 PolarHBondContact OG-NE2 2.94Å; S122-H211 VanDerWaalsContact OG-NE2 3.12Å
123Q98.6Very high98.7Very high1 Ų19.1 Ų9.11%0.0055%0.048CC..Hα-helixtrans-54-38.3175.9-167.9-178.55300113.4S74 W75 F76 F121 A126 L127 W148S74-Q123 PolarHBondContact OG-NE2 3.22Å; S74-Q123 PolarHBondContact OG-OE1 3.46Å; W75-Q123 HydrophobicContact CB-CG 4.49Å; W75-Q123 VanDerWaalsContact N-OE1 3.09Å; F76-Q123 HydrophobicContact CD1-CG 4.25Å; F76-Q123 HydrophobicContact CE1-CG 3.57Å; F76-Q123 HydrophobicContact CE2-CG 4.05Å; F76-Q123 HydrophobicContact CZ-CG 3.47Å; F76-Q123 VanDerWaalsContact CZ-CG 3.47Å; F76-Q123 PolarHBondContact O-NE2 3.44Å; F121-Q123 PolarHBondContact O-N 3.41Å; Q123-A126 WeakPolarHBondContact O-CB 3.43Å; Q123-A126 PolarHBondContact O-N 2.73Å; Q123-L127 PolarHBondContact O-N 3.39Å; Q123-W148 HydrophobicContact CB-CH2 4.32Å
124G98.9Very high98.7Very high0 Ų08.8 Ų8.80%05%0.045CC..Hα-helixtrans-70.6-34.3177.100000113L30 H31 F121 S122 L127 S128L30-G124 WeakPolarHBondContact O-CA 3.38Å; H31-G124 WeakPolarHBondContact O-CA 3.4Å; H31-G124 PolarHBondContact O-N 2.99Å; F121-G124 PolarHBondContact O-N 3.01Å; S122-G124 VanDerWaalsContact C-N 3.25Å; S122-G124 PolarHBondContact O-N 2.77Å; G124-L127 PolarHBondContact O-N 3Å; G124-S128 WeakPolarHBondContact O-CB 3.41Å; G124-S128 PolarHBondContact O-N 2.87Å; G124-S128 PolarHBondContact O-OG 2.86Å
125G98.9Very high98.5Very high0 Ų04.5 Ų4.50%02%0.022CC..Hα-helixtrans-65.3-40.9172.200000111.6G120 F121 S122 S128 L129G120-G125 VanDerWaalsContact C-N 3.3Å; G120-G125 VanDerWaalsContact O-CA 3.32Å; G120-G125 WeakPolarHBondContact O-CA 3.23Å; F121-G125 PolarHBondContact O-N 2.83Å; S122-G125 PolarHBondContact O-N 2.98Å; G125-S128 WeakPolarHBondContact O-CB 3.35Å; G125-S128 PolarHBondContact O-N 3.24Å; G125-L129 PolarHBondContact O-N 3.34Å
126A98.8Very high98.3Very high0 Ų09.7 Ų9.70%05%0.047CC..Hα-helixtrans-61.1-47.3174.800000112S122 Q123 S128 L129 Y130 W148 P150S122-A126 PolarHBondContact O-N 3.17Å; Q123-A126 WeakPolarHBondContact O-CB 3.43Å; Q123-A126 PolarHBondContact O-N 2.73Å; A126-S128 VanDerWaalsContact C-N 3.29Å; A126-S128 PolarHBondContact O-N 3.48Å; A126-L129 PolarHBondContact O-N 3Å; A126-Y130 PolarHBondContact O-N 2.87Å; A126-Y130 VanDerWaalsContact O-N 3.14Å; A126-W148 WeakPolarHBondContact CA-O 2.98Å; A126-W148 HydrophobicContact CB-CD2 3.86Å; A126-W148 HydrophobicContact CB-CE3 4.12Å; A126-W148 HydrophobicContact CB-CG 4.38Å; A126-W148 HydrophobicContact CB-CH2 4.28Å; A126-W148 HydrophobicContact CB-CZ2 4.04Å; A126-W148 HydrophobicContact CB-CZ3 4.31Å; A126-W148 WeakPolarHBondContact CB-O 3.39Å; A126-P150 HydrophobicContact CB-CG 4.3Å; A126-P150 WeakPolarHBondContact O-CD 3.48Å; A126-P150 WeakPolarHBondContact O-CG 3.46Å
127L98.9Very high98Very high0 Ų012.4 Ų12.40%06%0.06CC..Hα-helixtrans-62.5-37.8175.3-177.756.1000112.2L30 W75 F76 A95 A96 I99 Q123 G124 Y130 T131L30-L127 HydrophobicContact CD1-CB 4.01Å; L30-L127 HydrophobicContact CD1-CD2 3.82Å; L30-L127 HydrophobicContact CD1-CG 3.85Å; W75-L127 HydrophobicContact CB-CD2 3.76Å; W75-L127 HydrophobicContact CD2-CD2 3.94Å; W75-L127 HydrophobicContact CE3-CD2 4Å; W75-L127 HydrophobicContact CG-CD2 3.85Å; F76-L127 HydrophobicContact CE1-CB 4.19Å; A95-L127 HydrophobicContact CB-CD1 3.84Å; A95-L127 HydrophobicContact CB-CD2 3.68Å; A95-L127 HydrophobicContact CB-CG 4.46Å; A96-L127 HydrophobicContact CB-CD1 4.13Å; I99-L127 HydrophobicContact CG1-CD2 3.95Å; I99-L127 HydrophobicContact CG1-CG 4.38Å; Q123-L127 PolarHBondContact O-N 3.39Å; G124-L127 PolarHBondContact O-N 3Å; L127-Y130 PolarHBondContact O-N 2.98Å; L127-T131 VanDerWaalsContact O-CB 3.26Å; L127-T131 WeakPolarHBondContact O-CB 3.21Å; L127-T131 PolarHBondContact O-N 3.46Å; L127-T131 PolarHBondContact O-OG1 3.3Å
128S98.9Very high97.9Very high0 Ų018 Ų180%09%0.086CC..Hα-helixtrans-62.8-45.6178.3-64.60000112.1L30 L118 G119 G124 G125 A126 T131 A132L30-S128 WeakPolarHBondContact CD1-OG 3.25Å; L118-S128 WeakPolarHBondContact CD2-O 3.33Å; G119-S128 PolarHBondContact O-OG 3.06Å; G124-S128 WeakPolarHBondContact O-CB 3.41Å; G124-S128 PolarHBondContact O-N 2.87Å; G124-S128 PolarHBondContact O-OG 2.86Å; G125-S128 WeakPolarHBondContact O-CB 3.35Å; G125-S128 PolarHBondContact O-N 3.24Å; A126-S128 VanDerWaalsContact C-N 3.29Å; A126-S128 PolarHBondContact O-N 3.48Å; S128-T131 PolarHBondContact O-N 2.82Å; S128-A132 WeakPolarHBondContact O-CB 3.35Å; S128-A132 PolarHBondContact O-N 3.39Å
129L98.8Very high97.9Very high0 Ų018.3 Ų18.30%09%0.088CC..Hα-helixtrans-57.9-53.3174.7-73.9170.3000111.2G125 A126 T131 A132 L133 I142 A144 L149 I169 T188 L192G125-L129 PolarHBondContact O-N 3.34Å; A126-L129 PolarHBondContact O-N 3Å; L129-T131 PolarHBondContact O-N 3.38Å; L129-A132 PolarHBondContact O-N 2.93Å; L129-L133 WeakPolarHBondContact O-CB 3.46Å; L129-L133 WeakPolarHBondContact O-CD1 3.45Å; L129-L133 WeakPolarHBondContact O-CG 3.19Å; L129-L133 PolarHBondContact O-N 2.84Å; L129-I142 HydrophobicContact CD2-CD1 4.19Å; L129-I142 HydrophobicContact CD2-CG2 3.97Å; L129-A144 HydrophobicContact CD1-CB 4.02Å; L129-A144 HydrophobicContact CD2-CB 3.9Å; L129-A144 HydrophobicContact CG-CB 3.9Å; L129-L149 HydrophobicContact CB-CD1 4.08Å; L129-I169 HydrophobicContact CD2-CG2 4.38Å; L129-T188 HydrophobicContact CD1-CG2 3.95Å; L129-L192 HydrophobicContact CD2-CD1 3.87Å; L129-L192 HydrophobicContact CD2-CD2 4Å
130Y98.8Very high97.9Very high18 Ų1819.1 Ų19.17%0.0719%0.094CC..Hα-helixtrans-60.3-45.5-178.7-175.3-92.1000112.6I92 K93 A96 A126 L127 T134 P150 L151 F155I92-Y130 HydrophobicContact CG2-CD1 3.8Å; I92-Y130 HydrophobicContact CG2-CD2 4.17Å; I92-Y130 HydrophobicContact CG2-CE1 4.01Å; I92-Y130 HydrophobicContact CG2-CE2 4.38Å; I92-Y130 HydrophobicContact CG2-CG 3.88Å; K93-Y130 HydrophobicContact CG-CE1 4.27Å; K93-Y130 WeakPolarHBondContact CG-OH 3.27Å; A96-Y130 HydrophobicContact CB-CD1 3.74Å; A96-Y130 HydrophobicContact CB-CE1 3.95Å; A126-Y130 PolarHBondContact O-N 2.87Å; A126-Y130 VanDerWaalsContact O-N 3.14Å; L127-Y130 PolarHBondContact O-N 2.98Å; Y130-T134 HydrophobicContact CE1-CG2 4.29Å; Y130-T134 HydrophobicContact CE2-CG2 4.31Å; Y130-T134 WeakPolarHBondContact O-CB 3.15Å; Y130-T134 WeakPolarHBondContact O-CG2 3.48Å; Y130-T134 PolarHBondContact O-N 3.22Å; Y130-T134 VanDerWaalsContact O-N 3.13Å; Y130-T134 PolarHBondContact O-OG1 2.64Å; Y130-P150 HydrophobicContact CD2-CG 4.29Å; Y130-P150 HydrophobicContact CG-CG 4.29Å; Y130-L151 HydrophobicContact CD2-CD1 4.5Å; Y130-L151 HydrophobicContact CE2-CB 4.32Å; Y130-L151 HydrophobicContact CE2-CD1 3.76Å; Y130-L151 HydrophobicContact CE2-CG 4.47Å; Y130-F155 AromaticContact CD2-CE2 3.98Å; Y130-F155 HydrophobicContact CD2-CE2 3.98Å; Y130-F155 AromaticContact CD2-CZ 3.97Å; Y130-F155 HydrophobicContact CD2-CZ 3.97Å; Y130-F155 HydrophobicContact CE2-CE2 4.16Å; Y130-F155 HydrophobicContact CE2-CZ 4.2Å
131T98.6Very high97.9Very high0 Ų019.1 Ų19.10%09%0.094CC..Hα-helixtrans-63.8-49.3-177.6-570000110.9A96 I99 K100 I103 L118 L127 S128 L129 T134 C135A96-T131 WeakPolarHBondContact CA-OG1 3.49Å; A96-T131 HydrophobicContact CB-CG2 4.45Å; A96-T131 WeakPolarHBondContact CB-OG1 3.19Å; I99-T131 HydrophobicContact CB-CG2 3.97Å; I99-T131 HydrophobicContact CG2-CG2 3.82Å; K100-T131 HydrophobicContact CG-CG2 3.83Å; I103-T131 HydrophobicContact CD1-CG2 4.48Å; L118-T131 HydrophobicContact CD2-CG2 3.83Å; L127-T131 VanDerWaalsContact O-CB 3.26Å; L127-T131 WeakPolarHBondContact O-CB 3.21Å; L127-T131 PolarHBondContact O-N 3.46Å; L127-T131 PolarHBondContact O-OG1 3.3Å; S128-T131 PolarHBondContact O-N 2.82Å; L129-T131 PolarHBondContact O-N 3.38Å; T131-T134 CarbonylContact O-C 3.19Å; T131-T134 PolarHBondContact O-N 3.11Å; T131-T134 PolarHBondContact O-OG1 2.76Å; T131-C135 VanDerWaalsContact O-CB 3.29Å; T131-C135 WeakPolarHBondContact O-CB 3.18Å; T131-C135 PolarHBondContact O-N 2.95Å
132A98.4Very high97.9Very high0 Ų018.1 Ų18.10%09%0.09CC..Hα-helixtrans-64.8-42-178.900000112.3L118 S128 L129 T134 C135 L139 I142 N164 I167L118-A132 HydrophobicContact CD2-CB 4.26Å; S128-A132 WeakPolarHBondContact O-CB 3.35Å; S128-A132 PolarHBondContact O-N 3.39Å; L129-A132 PolarHBondContact O-N 2.93Å; A132-T134 PolarHBondContact O-N 3.04Å; A132-C135 WeakPolarHBondContact O-CB 3.42Å; A132-C135 PolarHBondContact O-N 3.43Å; A132-L139 HydrophobicContact CB-CD1 3.87Å; A132-I142 HydrophobicContact CB-CD1 3.44Å; A132-I142 VanDerWaalsContact CB-CD1 3.44Å; A132-I142 HydrophobicContact CB-CG1 3.69Å; A132-N164 PolarHBondContact O-ND2 3.03Å; A132-I167 HydrophobicContact CB-CD1 4.14Å
133L98.1Very high97.9Very high4 Ų417.6 Ų17.62%0.0219%0.086CC..Hα-helixtrans-69.3-20.7179.6-65.8172000113.5L129 L149 F155 L192 V195 V196L129-L133 WeakPolarHBondContact O-CB 3.46Å; L129-L133 WeakPolarHBondContact O-CD1 3.45Å; L129-L133 WeakPolarHBondContact O-CG 3.19Å; L129-L133 PolarHBondContact O-N 2.84Å; L133-L149 HydrophobicContact CD1-CD1 3.74Å; L133-F155 HydrophobicContact CB-CE1 3.78Å; L133-F155 HydrophobicContact CB-CZ 4.28Å; L133-F155 HydrophobicContact CD1-CE1 4.02Å; L133-F155 HydrophobicContact CD1-CZ 4.39Å; L133-L192 HydrophobicContact CD1-CD2 3.68Å; L133-V195 HydrophobicContact CD2-CG1 4.05Å; L133-V196 HydrophobicContact CD2-CG1 3.6Å
134T97.2Very high97.9Very high20 Ų2017.6 Ų17.612%0.1239%0.086CC..THydrogen-bonded Turntrans-107.87.1176.563.80000113.2K100 Y130 T131 A132 F155K100-T134 PolarHBondContact NZ-O 3.48Å; K100-T134 PolarHBondContact NZ-OG1 3.4Å; Y130-T134 HydrophobicContact CE1-CG2 4.29Å; Y130-T134 HydrophobicContact CE2-CG2 4.31Å; Y130-T134 WeakPolarHBondContact O-CB 3.15Å; Y130-T134 WeakPolarHBondContact O-CG2 3.48Å; Y130-T134 PolarHBondContact O-N 3.22Å; Y130-T134 VanDerWaalsContact O-N 3.13Å; Y130-T134 PolarHBondContact O-OG1 2.64Å; T131-T134 CarbonylContact O-C 3.19Å; T131-T134 PolarHBondContact O-N 3.11Å; T131-T134 PolarHBondContact O-OG1 2.76Å; A132-T134 PolarHBondContact O-N 3.04Å; T134-F155 HydrophobicContact CG2-CE1 4.47Å; T134-F155 HydrophobicContact CG2-CZ 4.18Å
135C95.3Very high97.9Very high2 Ų217.6 Ų17.61%0.0149%0.086CC..  trans-79.1142.1178.8-169.10000111.1T131 A132 H137 L139 N164T131-C135 VanDerWaalsContact O-CB 3.29Å; T131-C135 WeakPolarHBondContact O-CB 3.18Å; T131-C135 PolarHBondContact O-N 2.95Å; A132-C135 WeakPolarHBondContact O-CB 3.42Å; A132-C135 PolarHBondContact O-N 3.43Å; C135-H137 VanDerWaalsContact C-N 3.35Å; C135-H137 PolarHBondContact SG-N 3.17Å; C135-H137 VanDerWaalsContact SG-N 3.38Å; C135-L139 HydrophobicContact CB-CD1 4.49Å; C135-N164 PolarHBondContact O-ND2 2.97Å
136Q93.4Very high97.9Very high125 Ų12517.6 Ų17.658%0.5849%0.086SC*.SBendtrans-87.5-7.6175.7-63.4-58.7-42.100113V163Q136-V163 VanDerWaalsContact O-CG2 3.28Å; Q136-V163 WeakPolarHBondContact O-CG2 3.17Å
137H94.4Very high97.9Very high58 Ų5817.6 Ų17.627%0.2699%0.086SC..SBendtrans-95.6140.1171-63-55.2000110.9P113 C135 L139 N164P113-H137 HydrophobicContact CB-CB 3.63Å; P113-H137 HydrophobicContact CG-CB 3.95Å; C135-H137 VanDerWaalsContact C-N 3.35Å; C135-H137 PolarHBondContact SG-N 3.17Å; C135-H137 VanDerWaalsContact SG-N 3.38Å; H137-L139 HydrophobicContact CB-CD2 4.45Å; H137-L139 PolarHBondContact O-N 2.97Å; H137-N164 PolarHBondContact O-ND2 3.32Å; H137-N164 PolarHBondContact O-OD1 2.95Å
138Q96.8Very high97.9Very high118 Ų11819.1 Ų19.155%0.5519%0.092SC*.  trans-77101.7175.1-172.4179.13.700109.2P113 N114 V163 N164P113-Q138 CarbonylContact C-O 3.46Å; N114-Q138 WeakPolarHBondContact CA-O 3.16Å; N114-Q138 PolarHBondContact N-O 3.21Å; N114-Q138 VanDerWaalsContact N-O 3.1Å; Q138-V163 HydrophobicContact CB-CG2 4.03Å; Q138-N164 WeakPolarHBondContact CA-OD1 3.26Å
139L98.5Very high97.9Very high6 Ų619.1 Ų19.13%0.0319%0.092CC..  trans-81.8159.8-179.6-58.1-178.7000111.1I103 P113 I116 L118 A132 C135 H137 N164 I167I103-L139 HydrophobicContact CD1-CD1 4.02Å; I103-L139 HydrophobicContact CD1-CD2 4.26Å; I103-L139 HydrophobicContact CG2-CD2 3.95Å; P113-L139 HydrophobicContact CB-CD2 4.34Å; P113-L139 WeakPolarHBondContact O-CA 3.23Å; I116-L139 HydrophobicContact CB-CD2 4.27Å; I116-L139 HydrophobicContact CG2-CD2 4.48Å; L118-L139 HydrophobicContact CB-CD1 4.4Å; A132-L139 HydrophobicContact CB-CD1 3.87Å; C135-L139 HydrophobicContact CB-CD1 4.49Å; H137-L139 HydrophobicContact CB-CD2 4.45Å; H137-L139 PolarHBondContact O-N 2.97Å; L139-N164 PolarHBondContact N-OD1 3.26Å; L139-I167 HydrophobicContact CB-CD1 3.9Å
140A98.6Very high97.8Very high16 Ų1619.1 Ų19.113%0.1329%0.092CC..SBendtrans-69.4-42.8-179.900000112.2N114 I116 I117 L229N114-A140 VanDerWaalsContact O-CB 3.31Å; N114-A140 WeakPolarHBondContact O-CB 3.48Å; I116-A140 WeakPolarHBondContact O-CB 3.28Å; I116-A140 PolarHBondContact O-N 2.95Å; I117-A140 HydrophobicContact CG1-CB 3.87Å; A140-L229 HydrophobicContact CB-CD2 3.88Å
141G98.8Very high97.8Very high0 Ų019.3 Ų19.30%09%0.094CC..EExtended strand (participates in β ladder)trans-179.2175.6-176.200000114I117 L118 A168I117-G141 WeakPolarHBondContact CA-O 3.36Å; L118-G141 PolarHBondContact N-O 2.97Å; L118-G141 VanDerWaalsContact N-O 3.13Å; G141-A168 CarbonylContact C-O 3.52Å; G141-A168 WeakPolarHBondContact CA-O 3.07Å
142I98.9Very high97.7Very high0 Ų022 Ų220%011%0.107CC..EExtended strand (participates in β ladder)trans-124.5135.2176.4-44.9174.3000110.4L118 L129 A132 A144 I167 A168 I169 L170L118-I142 CarbonylContact O-C 3.52Å; L118-I142 WeakPolarHBondContact O-CA 3.26Å; L118-I142 WeakPolarHBondContact O-CG2 3.49Å; L129-I142 HydrophobicContact CD2-CD1 4.19Å; L129-I142 HydrophobicContact CD2-CG2 3.97Å; A132-I142 HydrophobicContact CB-CD1 3.44Å; A132-I142 VanDerWaalsContact CB-CD1 3.44Å; A132-I142 HydrophobicContact CB-CG1 3.69Å; I142-A144 HydrophobicContact CG2-CB 4.45Å; I142-I167 HydrophobicContact CD1-CD1 3.96Å; I142-I167 HydrophobicContact CD1-CG2 4.42Å; I142-I167 HydrophobicContact CG1-CD1 3.57Å; I142-I167 HydrophobicContact CG1-CG1 4.16Å; I142-A168 PolarHBondContact N-O 3.49Å; I142-I169 HydrophobicContact CB-CG1 4.25Å; I142-I169 HydrophobicContact CB-CG2 4.28Å; I142-I169 HydrophobicContact CD1-CD1 3.97Å; I142-I169 HydrophobicContact CD1-CG1 4Å; I142-I169 HydrophobicContact CG1-CG1 4.26Å; I142-I169 WeakPolarHBondContact O-CA 3.37Å; I142-L170 PolarHBondContact O-N 2.83Å
143V98.9Very high97.6Very high2 Ų229.1 Ų29.11%0.01214%0.137CC..EExtended strand (participates in β ladder)trans-113.1108.6167.7176.90000109.4F29 I117 L118 G119 G120 L145 L170 V221 F224F29-V143 HydrophobicContact CE2-CG1 4.46Å; I117-V143 HydrophobicContact CG2-CG2 4Å; L118-V143 PolarHBondContact O-N 2.79Å; G119-V143 CarbonylContact C-O 3.52Å; G119-V143 WeakPolarHBondContact CA-O 3.46Å; G120-V143 PolarHBondContact N-O 2.8Å; V143-L145 HydrophobicContact CG1-CD2 3.62Å; V143-L145 HydrophobicContact CG1-CG 4.04Å; V143-L170 CarbonylContact C-O 3.51Å; V143-L170 WeakPolarHBondContact CA-O 3.41Å; V143-V221 HydrophobicContact CG1-CG1 4.09Å; V143-V221 HydrophobicContact CG1-CG2 3.77Å; V143-V221 HydrophobicContact CG2-CG1 4.44Å; V143-F224 HydrophobicContact CG2-CD1 3.68Å; V143-F224 HydrophobicContact CG2-CE1 3.81Å
144A98.9Very high97.6Very high0 Ų031.3 Ų31.30%016%0.156CC..EExtended strand (participates in β ladder)trans-116.8101.5-171.800000110.6L129 I142 L170 Q171 C172L129-A144 HydrophobicContact CD1-CB 4.02Å; L129-A144 HydrophobicContact CD2-CB 3.9Å; L129-A144 HydrophobicContact CG-CB 3.9Å; I142-A144 HydrophobicContact CG2-CB 4.45Å; A144-L170 PolarHBondContact N-O 2.8Å; A144-Q171 HydrophobicContact CB-CB 4.45Å; A144-Q171 HydrophobicContact CB-CG 4.3Å; A144-Q171 VanDerWaalsContact O-CA 3.28Å; A144-Q171 WeakPolarHBondContact O-CA 3.5Å; A144-C172 PolarHBondContact O-N 3.29Å
145L98.9Very high97.5Very high1 Ų130.4 Ų30.41%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-102.7125.2-173.5-47.4-174.7000111.2F29 W40 G120 F121 S122 V143 C147 C172 E217 V221F29-L145 HydrophobicContact CE2-CD1 4.14Å; F29-L145 HydrophobicContact CZ-CD1 3.78Å; F29-L145 HydrophobicContact CZ-CG 4.36Å; W40-L145 HydrophobicContact CH2-CD1 3.72Å; W40-L145 HydrophobicContact CZ3-CD1 3.76Å; G120-L145 PolarHBondContact O-N 2.84Å; F121-L145 CarbonylContact C-O 3.57Å; F121-L145 WeakPolarHBondContact CA-O 3.49Å; F121-L145 HydrophobicContact CB-CB 4.45Å; F121-L145 HydrophobicContact CD2-CB 3.96Å; S122-L145 PolarHBondContact N-O 2.88Å; V143-L145 HydrophobicContact CG1-CD2 3.62Å; V143-L145 HydrophobicContact CG1-CG 4.04Å; L145-C147 VanDerWaalsContact C-N 3.33Å; L145-C147 PolarHBondContact O-N 2.9Å; L145-C172 HydrophobicContact CD2-CB 3.69Å; L145-E217 HydrophobicContact CD2-CG 4.27Å; L145-V221 HydrophobicContact CD2-CG2 4Å
146S98.7Very high97.5Very high0 Ų032.9 Ų32.90%017%0.166CC..SBendtrans43.952.3174.4-59.90000113.8S122 C172S122-S146 WeakPolarHBondContact CA-O 3.43Å; S146-C172 PolarHBondContact N-O 3.03Å
147C98.6Very high97.6Very high0 Ų033.1 Ų33.10%017%0.168CC..  trans-138.1-172.5-170.3680000113S122 L145S122-C147 WeakPolarHBondContact O-CB 3.16Å; L145-C147 VanDerWaalsContact C-N 3.33Å; L145-C147 PolarHBondContact O-N 2.9Å
148W98.5Very high97.5Very high31 Ų3132.4 Ų32.412%0.11717%0.172CC..  trans-134.9162.5179.569.3102.3000111.2F76 L78 E87 Q123 A126 P150 I180 T188F76-W148 HydrophobicContact CE2-CZ2 4.36Å; F76-W148 HydrophobicContact CZ-CZ2 4.17Å; L78-W148 HydrophobicContact CD1-CH2 3.97Å; L78-W148 HydrophobicContact CD1-CZ2 3.83Å; E87-W148 PolarHBondContact OE1-NE1 3.06Å; Q123-W148 HydrophobicContact CB-CH2 4.32Å; A126-W148 WeakPolarHBondContact CA-O 2.98Å; A126-W148 HydrophobicContact CB-CD2 3.86Å; A126-W148 HydrophobicContact CB-CE3 4.12Å; A126-W148 HydrophobicContact CB-CG 4.38Å; A126-W148 HydrophobicContact CB-CH2 4.28Å; A126-W148 HydrophobicContact CB-CZ2 4.04Å; A126-W148 HydrophobicContact CB-CZ3 4.31Å; A126-W148 WeakPolarHBondContact CB-O 3.39Å; W148-P150 WeakPolarHBondContact O-CD 3.46Å; W148-I180 HydrophobicContact CE3-CD1 3.81Å; W148-I180 HydrophobicContact CE3-CG1 4.37Å; W148-I180 HydrophobicContact CZ3-CD1 3.71Å; W148-I180 HydrophobicContact CZ3-CG1 4.37Å; W148-T188 WeakPolarHBondContact CA-OG1 3.34Å
149L98.4Very high97.2Very high1 Ų127.4 Ų27.41%0.00515%0.151CC..  trans-83.6113167175.665000109.3L129 L133 H152 F155 T188 K191 L192L129-L149 HydrophobicContact CB-CD1 4.08Å; L133-L149 HydrophobicContact CD1-CD1 3.74Å; L149-H152 HydrophobicContact CB-CB 4.43Å; L149-H152 HydrophobicContact CD2-CB 4.21Å; L149-H152 HydrophobicContact CG-CB 4.23Å; L149-H152 WeakPolarHBondContact O-CB 3.42Å; L149-F155 HydrophobicContact CD1-CD2 4.4Å; L149-F155 HydrophobicContact CD1-CE2 3.97Å; L149-F155 HydrophobicContact CD1-CZ 4.21Å; L149-F155 HydrophobicContact CD2-CD2 3.94Å; L149-F155 HydrophobicContact CD2-CE2 4.34Å; L149-F155 HydrophobicContact CD2-CG 4.16Å; L149-F155 HydrophobicContact CG-CD2 4.3Å; L149-F155 HydrophobicContact CG-CE2 4.29Å; L149-T188 HydrophobicContact CB-CG2 3.85Å; L149-T188 PolarHBondContact N-OG1 2.86Å; L149-T188 VanDerWaalsContact N-OG1 3.14Å; L149-K191 HydrophobicContact CD2-CB 4.42Å; L149-K191 HydrophobicContact CD2-CG 3.75Å; L149-L192 HydrophobicContact CD2-CD2 4.41Å
150P98.1Very high96.6Very high0 Ų030.3 Ų30.30%017%0.172CC..THydrogen-bonded Turntrans-74.3152.6177.532.6-35.7000110.5E87 I92 A126 Y130 W148 H152E87-P150 WeakPolarHBondContact OE1-CA 3.39Å; E87-P150 VanDerWaalsContact OE1-CB 3.27Å; E87-P150 WeakPolarHBondContact OE1-CB 3.39Å; I92-P150 HydrophobicContact CD1-CB 4.02Å; I92-P150 HydrophobicContact CG2-CG 4.32Å; A126-P150 HydrophobicContact CB-CG 4.3Å; A126-P150 WeakPolarHBondContact O-CD 3.48Å; A126-P150 WeakPolarHBondContact O-CG 3.46Å; Y130-P150 HydrophobicContact CD2-CG 4.29Å; Y130-P150 HydrophobicContact CG-CG 4.29Å; W148-P150 WeakPolarHBondContact O-CD 3.46Å; P150-H152 PolarHBondContact O-N 3.39Å
151L97.6Very high95.7Very high22 Ų2236 Ų3612%0.11520%0.2CC..THydrogen-bonded Turntrans53.932.5-176.5-51.3175.7000112.3E87 E89 I92 Y130 K153 A154E87-L151 HydrophobicContact CB-CD2 3.9Å; E87-L151 WeakPolarHBondContact OE2-CA 3.5Å; E87-L151 PolarHBondContact OE2-N 3.35Å; E89-L151 HydrophobicContact CB-CD1 4.18Å; E89-L151 HydrophobicContact CB-CD2 3.99Å; E89-L151 HydrophobicContact CG-CD1 3.8Å; E89-L151 HydrophobicContact CG-CD2 4.35Å; I92-L151 HydrophobicContact CD1-CD1 4.43Å; I92-L151 HydrophobicContact CD1-CD2 4.25Å; I92-L151 HydrophobicContact CD1-CG 4.11Å; I92-L151 HydrophobicContact CG2-CD1 4.22Å; Y130-L151 HydrophobicContact CD2-CD1 4.5Å; Y130-L151 HydrophobicContact CE2-CB 4.32Å; Y130-L151 HydrophobicContact CE2-CD1 3.76Å; Y130-L151 HydrophobicContact CE2-CG 4.47Å; L151-K153 PolarHBondContact O-N 3.41Å; L151-A154 WeakPolarHBondContact O-CB 3.33Å; L151-A154 PolarHBondContact O-N 2.89Å
152H96.8Very high94.8Very high56 Ų5636.6 Ų36.626%0.25921%0.205SC..G310 helixtrans-53.3-30.4-172.263.4-85.8000113.6P83 L149 P150 A154 F155 K191P83-H152 PolarHBondContact O-CE1 3.36Å; L149-H152 HydrophobicContact CB-CB 4.43Å; L149-H152 HydrophobicContact CD2-CB 4.21Å; L149-H152 HydrophobicContact CG-CB 4.23Å; L149-H152 WeakPolarHBondContact O-CB 3.42Å; P150-H152 PolarHBondContact O-N 3.39Å; H152-A154 PolarHBondContact O-N 2.86Å; H152-F155 PolarHBondContact O-N 3.39Å; H152-F155 VanDerWaalsContact O-N 3.15Å; H152-K191 WeakPolarHBondContact O-CE 3.31Å
153K96.6Very high94.5Very high149 Ų14939.8 Ų39.865%0.64823%0.225SC*.G310 helixtrans-64-23.9178-61.5-179-178.6169.20112.9D84 L151 F155D84-K153 IonicContact OD1-NZ 2.61Å; D84-K153 PolarHBondContact OD1-NZ 3.5Å; D84-K153 VanDerWaalsContact OD1-NZ 3.13Å; L151-K153 PolarHBondContact O-N 3.41Å; K153-F155 VanDerWaalsContact C-N 3.32Å
154A96.7Very high94.2Very high50 Ų5040 Ų4041%0.41323%0.226SC..G310 helixtrans-80.4-10176.900000113.8L151 H152 Q157 A158L151-A154 WeakPolarHBondContact O-CB 3.33Å; L151-A154 PolarHBondContact O-N 2.89Å; H152-A154 PolarHBondContact O-N 2.86Å; A154-Q157 PolarHBondContact O-N 3.05Å; A154-A158 HydrophobicContact CB-CB 4.23Å; A154-A158 WeakPolarHBondContact O-CB 3.39Å; A154-A158 PolarHBondContact O-N 3.24Å
155F96.7Very high94Very high2 Ų246 Ų461%0.00925%0.252CS..THydrogen-bonded Turntrans-91.8148.8177.4-71.6-91.3000110.8Y130 L133 T134 L149 H152 K153 A158 A159 K191 V195Y130-F155 AromaticContact CD2-CE2 3.98Å; Y130-F155 HydrophobicContact CD2-CE2 3.98Å; Y130-F155 AromaticContact CD2-CZ 3.97Å; Y130-F155 HydrophobicContact CD2-CZ 3.97Å; Y130-F155 HydrophobicContact CE2-CE2 4.16Å; Y130-F155 HydrophobicContact CE2-CZ 4.2Å; L133-F155 HydrophobicContact CB-CE1 3.78Å; L133-F155 HydrophobicContact CB-CZ 4.28Å; L133-F155 HydrophobicContact CD1-CE1 4.02Å; L133-F155 HydrophobicContact CD1-CZ 4.39Å; T134-F155 HydrophobicContact CG2-CE1 4.47Å; T134-F155 HydrophobicContact CG2-CZ 4.18Å; L149-F155 HydrophobicContact CD1-CD2 4.4Å; L149-F155 HydrophobicContact CD1-CE2 3.97Å; L149-F155 HydrophobicContact CD1-CZ 4.21Å; L149-F155 HydrophobicContact CD2-CD2 3.94Å; L149-F155 HydrophobicContact CD2-CE2 4.34Å; L149-F155 HydrophobicContact CD2-CG 4.16Å; L149-F155 HydrophobicContact CG-CD2 4.3Å; L149-F155 HydrophobicContact CG-CE2 4.29Å; H152-F155 PolarHBondContact O-N 3.39Å; H152-F155 VanDerWaalsContact O-N 3.15Å; K153-F155 VanDerWaalsContact C-N 3.32Å; F155-A158 HydrophobicContact CD1-CB 4.13Å; F155-A158 HydrophobicContact CD2-CB 4.38Å; F155-A158 HydrophobicContact CE1-CB 3.96Å; F155-A158 HydrophobicContact CE2-CB 4.24Å; F155-A158 HydrophobicContact CG-CB 4.33Å; F155-A158 HydrophobicContact CZ-CB 4.03Å; F155-A159 HydrophobicContact CD1-CB 3.88Å; F155-A159 HydrophobicContact CE1-CB 3.9Å; F155-K191 WeakPolarHBondContact O-CE 3.34Å; F155-K191 PolarHBondContact O-NZ 2.96Å; F155-V195 HydrophobicContact CB-CG2 3.79Å; F155-V195 HydrophobicContact CD1-CG1 4.09Å; F155-V195 HydrophobicContact CD1-CG2 4.13Å; F155-V195 HydrophobicContact CG-CG2 4.33Å
156P94.9Very high93.8Very high53 Ų5350.5 Ų50.534%0.34428%0.276SS..THydrogen-bonded Turncis-81.8-6.46.333.5-37.7000115.3A158 A159 S160 V195P156-A158 VanDerWaalsContact C-N 3.3Å; P156-A158 PolarHBondContact O-N 2.91Å; P156-A159 CarbonylContact O-C 3.47Å; P156-A159 WeakPolarHBondContact O-CA 3.44Å; P156-A159 PolarHBondContact O-N 3.2Å; P156-S160 PolarHBondContact O-N 2.98Å; P156-S160 VanDerWaalsContact O-N 3.17Å; P156-V195 HydrophobicContact CB-CG2 4.14Å
157Q94.9Very high93.8Very high130 Ų13050.7 Ų50.761%0.60728%0.277SS*.G310 helixtrans-58-40.5-173.1-71.474.39.800112.4A154 A159 S160A154-Q157 PolarHBondContact O-N 3.05Å; Q157-A159 PolarHBondContact O-N 3.3Å; Q157-S160 VanDerWaalsContact O-CB 3.29Å; Q157-S160 WeakPolarHBondContact O-CB 3.34Å; Q157-S160 PolarHBondContact O-N 2.92Å; Q157-S160 PolarHBondContact O-OG 3.36Å
158A92.7Very high93.8Very high43 Ų4351.2 Ų51.236%0.35528%0.282SS..G310 helixtrans-59.2-25.5175.400000114A154 F155 P156A154-A158 HydrophobicContact CB-CB 4.23Å; A154-A158 WeakPolarHBondContact O-CB 3.39Å; A154-A158 PolarHBondContact O-N 3.24Å; F155-A158 HydrophobicContact CD1-CB 4.13Å; F155-A158 HydrophobicContact CD2-CB 4.38Å; F155-A158 HydrophobicContact CE1-CB 3.96Å; F155-A158 HydrophobicContact CE2-CB 4.24Å; F155-A158 HydrophobicContact CG-CB 4.33Å; F155-A158 HydrophobicContact CZ-CB 4.03Å; P156-A158 VanDerWaalsContact C-N 3.3Å; P156-A158 PolarHBondContact O-N 2.91Å
159A91.3Very high93.8Very high13 Ų1349.8 Ų49.811%0.10728%0.276CS..G310 helixtrans-101.10.2177.500000113.6F155 P156 Q157 N161 G162 V195F155-A159 HydrophobicContact CD1-CB 3.88Å; F155-A159 HydrophobicContact CE1-CB 3.9Å; P156-A159 CarbonylContact O-C 3.47Å; P156-A159 WeakPolarHBondContact O-CA 3.44Å; P156-A159 PolarHBondContact O-N 3.2Å; Q157-A159 PolarHBondContact O-N 3.3Å; A159-N161 VanDerWaalsContact C-N 3.26Å; A159-N161 PolarHBondContact O-N 3.06Å; A159-G162 WeakPolarHBondContact O-CA 3.43Å; A159-G162 PolarHBondContact O-N 3.3Å; A159-V195 HydrophobicContact CB-CG1 3.66Å
160S84Confident93.9Very high68 Ų6849.7 Ų49.748%0.47628%0.276SS..THydrogen-bonded Turntrans-59.9-33.9-170.257.50000114.1P156 Q157P156-S160 PolarHBondContact O-N 2.98Å; P156-S160 VanDerWaalsContact O-N 3.17Å; Q157-S160 VanDerWaalsContact O-CB 3.29Å; Q157-S160 WeakPolarHBondContact O-CB 3.34Å; Q157-S160 PolarHBondContact O-N 2.92Å; Q157-S160 PolarHBondContact O-OG 3.36Å
161N80.1Confident93.9Very high136 Ų13649.7 Ų49.773%0.72728%0.276SS*.THydrogen-bonded Turntrans-92.86.8176-63.2-27.7000113.1A159A159-N161 VanDerWaalsContact C-N 3.26Å; A159-N161 PolarHBondContact O-N 3.06Å
162G80Confident94Very high11 Ų1148.7 Ų48.711%0.11327%0.27CS..  trans-80.2148-177.500000113A159 N164A159-G162 WeakPolarHBondContact O-CA 3.43Å; A159-G162 PolarHBondContact O-N 3.3Å; G162-N164 VanDerWaalsContact C-N 3.34Å
163V92.2Very high94.1Very high68 Ų6846 Ų4641%0.41226%0.258SS..SBendtrans-87.5-3.9176.3-62.60000113.2Q136 Q138 K165Q136-V163 VanDerWaalsContact O-CG2 3.28Å; Q136-V163 WeakPolarHBondContact O-CG2 3.17Å; Q138-V163 HydrophobicContact CB-CG2 4.03Å; V163-K165 PolarHBondContact O-N 3.07Å
164N93.6Very high94.2Very high7 Ų738.9 Ų38.94%0.03723%0.227CC..  trans-93.430.1-172.9-73.5-55.1000113.9A132 C135 H137 Q138 L139 G162 D166 I167A132-N164 PolarHBondContact O-ND2 3.03Å; C135-N164 PolarHBondContact O-ND2 2.97Å; H137-N164 PolarHBondContact O-ND2 3.32Å; H137-N164 PolarHBondContact O-OD1 2.95Å; Q138-N164 WeakPolarHBondContact CA-OD1 3.26Å; L139-N164 PolarHBondContact N-OD1 3.26Å; G162-N164 VanDerWaalsContact C-N 3.34Å; N164-D166 PolarHBondContact O-N 3.48Å; N164-I167 HydrophobicContact CB-CB 3.98Å; N164-I167 HydrophobicContact CB-CD1 4.21Å; N164-I167 HydrophobicContact CB-CG2 4.13Å; N164-I167 WeakPolarHBondContact O-CB 3.32Å; N164-I167 WeakPolarHBondContact O-CG2 3.27Å; N164-I167 PolarHBondContact O-N 3.18Å
165K94Very high94.3Very high126 Ų12640.6 Ų40.655%0.54823%0.226SC..THydrogen-bonded Turntrans-60.7-31.1-179.9-67.3-174.8-178.9177.90113.3V163 V196 T197V163-K165 PolarHBondContact O-N 3.07Å; K165-V196 CarbonylContact O-C 3.52Å; K165-V196 WeakPolarHBondContact O-CA 3.43Å; K165-V196 WeakPolarHBondContact O-CB 3.18Å; K165-T197 PolarHBondContact O-N 3.36Å; K165-T197 PolarHBondContact O-OG1 3.19Å
166D96.3Very high94.3Very high94 Ų9445.1 Ų45.150%0.50325%0.249SC..THydrogen-bonded Turntrans-105.715.4179.6-70-53.1000113.9N164 A168 T197N164-D166 PolarHBondContact O-N 3.48Å; D166-A168 PolarHBondContact O-N 3.14Å; D166-T197 WeakPolarHBondContact OD1-CB 3.47Å; D166-T197 PolarHBondContact OD1-OG1 3.43Å
167I98.2Very high94.5Very high5 Ų543 Ų433%0.02623%0.234CC..  trans-60133179.4-165.2167000110.4A132 L139 I142 N164 I169 V196 K200A132-I167 HydrophobicContact CB-CD1 4.14Å; L139-I167 HydrophobicContact CB-CD1 3.9Å; I142-I167 HydrophobicContact CD1-CD1 3.96Å; I142-I167 HydrophobicContact CD1-CG2 4.42Å; I142-I167 HydrophobicContact CG1-CD1 3.57Å; I142-I167 HydrophobicContact CG1-CG1 4.16Å; N164-I167 HydrophobicContact CB-CB 3.98Å; N164-I167 HydrophobicContact CB-CD1 4.21Å; N164-I167 HydrophobicContact CB-CG2 4.13Å; N164-I167 WeakPolarHBondContact O-CB 3.32Å; N164-I167 WeakPolarHBondContact O-CG2 3.27Å; N164-I167 PolarHBondContact O-N 3.18Å; I167-I169 HydrophobicContact CG2-CD1 4.26Å; I167-I169 HydrophobicContact CG2-CG1 4.14Å; I167-V196 HydrophobicContact CG2-CG1 3.87Å; I167-K200 WeakPolarHBondContact O-CB 3.5Å
168A98.8Very high94.6Very high11 Ų1141.2 Ų41.29%0.09123%0.234CC..EExtended strand (participates in β ladder)trans-75.3135.2174.700000109.9G141 I142 D166 F224 L228G141-A168 CarbonylContact C-O 3.52Å; G141-A168 WeakPolarHBondContact CA-O 3.07Å; I142-A168 PolarHBondContact N-O 3.49Å; D166-A168 PolarHBondContact O-N 3.14Å; A168-F224 HydrophobicContact CB-CE2 3.95Å; A168-F224 HydrophobicContact CB-CZ 3.83Å; A168-L228 HydrophobicContact CB-CD1 3.66Å; A168-L228 HydrophobicContact CB-CD2 3.89Å; A168-L228 HydrophobicContact CB-CG 4.41Å
169I98.9Very high94.7Very high0 Ų043.6 Ų43.60%024%0.239CC..EExtended strand (participates in β ladder)trans-127.5123178.7-53.4-178.6000109L129 I142 I167 L192 V196 K200 V201 Q202L129-I169 HydrophobicContact CD2-CG2 4.38Å; I142-I169 HydrophobicContact CB-CG1 4.25Å; I142-I169 HydrophobicContact CB-CG2 4.28Å; I142-I169 HydrophobicContact CD1-CD1 3.97Å; I142-I169 HydrophobicContact CD1-CG1 4Å; I142-I169 HydrophobicContact CG1-CG1 4.26Å; I142-I169 WeakPolarHBondContact O-CA 3.37Å; I167-I169 HydrophobicContact CG2-CD1 4.26Å; I167-I169 HydrophobicContact CG2-CG1 4.14Å; I169-L192 HydrophobicContact CD1-CB 4.42Å; I169-L192 HydrophobicContact CD1-CD1 4.26Å; I169-L192 HydrophobicContact CD1-CD2 4.06Å; I169-L192 HydrophobicContact CD1-CG 4.48Å; I169-L192 HydrophobicContact CG2-CD1 4.24Å; I169-V196 HydrophobicContact CD1-CG2 3.93Å; I169-K200 PolarHBondContact N-O 2.93Å; I169-V201 HydrophobicContact CD1-CG2 4.34Å; I169-Q202 PolarHBondContact O-N 2.66Å
170L98.9Very high95Very high0 Ų043.2 Ų43.20%024%0.235CC..EExtended strand (participates in β ladder)trans-101.9112161.8176.765.2000108I142 V143 A144 Q202 K204 A220 V221 F224I142-L170 PolarHBondContact O-N 2.83Å; V143-L170 CarbonylContact C-O 3.51Å; V143-L170 WeakPolarHBondContact CA-O 3.41Å; A144-L170 PolarHBondContact N-O 2.8Å; L170-Q202 HydrophobicContact CD1-CB 4.13Å; L170-K204 HydrophobicContact CD1-CD 4.04Å; L170-K204 HydrophobicContact CD1-CG 4.28Å; L170-A220 HydrophobicContact CD2-CB 4.4Å; L170-A220 WeakPolarHBondContact CD2-O 3.02Å; L170-V221 HydrophobicContact CD2-CG2 4.04Å; L170-F224 HydrophobicContact CB-CB 4.44Å; L170-F224 HydrophobicContact CB-CD1 3.97Å; L170-F224 HydrophobicContact CB-CD2 3.74Å; L170-F224 HydrophobicContact CB-CE1 4.03Å; L170-F224 HydrophobicContact CB-CE2 3.8Å; L170-F224 HydrophobicContact CB-CG 3.8Å; L170-F224 HydrophobicContact CB-CZ 3.93Å; L170-F224 HydrophobicContact CD2-CB 3.78Å; L170-F224 HydrophobicContact CD2-CD1 4.44Å; L170-F224 HydrophobicContact CD2-CG 4.04Å
171Q98.9Very high95.6Very high0 Ų042.3 Ų42.30%023%0.228CC..EExtended strand (participates in β ladder)trans-107.5129.1170.8-172-175.9-4.600109.2A144 G185 A189 Q202 F203 K204A144-Q171 HydrophobicContact CB-CB 4.45Å; A144-Q171 HydrophobicContact CB-CG 4.3Å; A144-Q171 VanDerWaalsContact O-CA 3.28Å; A144-Q171 WeakPolarHBondContact O-CA 3.5Å; Q171-G185 PolarHBondContact NE2-O 2.94Å; Q171-A189 VanDerWaalsContact OE1-CA 3.29Å; Q171-A189 VanDerWaalsContact OE1-CB 3.29Å; Q171-Q202 PolarHBondContact N-O 2.9Å; Q171-F203 HydrophobicContact CB-CD2 4.01Å; Q171-F203 HydrophobicContact CG-CD2 3.79Å; Q171-F203 HydrophobicContact CG-CE2 4.14Å; Q171-F203 CarbonylContact O-C 3.4Å; Q171-F203 WeakPolarHBondContact O-CA 3.27Å; Q171-K204 PolarHBondContact O-N 3.17Å
172C98.9Very high96.5Very high0 Ų038 Ų380%021%0.206CC..EExtended strand (participates in β ladder)trans-124.8146.9-179.4-650000110.4A144 L145 S146 K204 Y206 E217A144-C172 PolarHBondContact O-N 3.29Å; L145-C172 HydrophobicContact CD2-CB 3.69Å; S146-C172 PolarHBondContact N-O 3.03Å; C172-K204 CarbonylContact C-O 3.22Å; C172-K204 VanDerWaalsContact CA-O 3.28Å; C172-K204 WeakPolarHBondContact CA-O 3.39Å; C172-Y206 HydrophobicContact CB-CE2 3.77Å; C172-E217 HydrophobicContact CB-CG 3.74Å; C172-E217 WeakPolarHBondContact CB-OE1 3.34Å
173H98.9Very high97.3Very high0 Ų046.3 Ų46.30%023%0.234CC..EExtended strand (participates in β ladder)trans-153.1139.2-178.8-139.2108.5000112.8D177 I180 V182 F203 K204 T205 Y206H173-D177 IonicContact CD2-OD2 3.99Å; H173-D177 IonicContact NE2-OD2 3.5Å; H173-D177 PolarHBondContact NE2-OD2 2.8Å; H173-I180 PolarHBondContact NE2-O 2.9Å; H173-V182 HydrophobicContact CB-CG2 4.23Å; H173-F203 HydrophobicContact CB-CE2 3.92Å; H173-F203 HydrophobicContact CB-CZ 4.19Å; H173-K204 PolarHBondContact N-O 3.41Å; H173-T205 CarbonylContact O-C 3.55Å; H173-T205 VanDerWaalsContact O-CA 3.26Å; H173-T205 WeakPolarHBondContact O-CA 3.4Å; H173-Y206 PolarHBondContact O-N 3.13Å
174G98.8Very high97.5Very high0 Ų045 Ų450%022%0.223CC..EExtended strand (participates in β ladder)trans-75.5132.5169.700000112.4M176 D177 V209G174-M176 PolarHBondContact O-N 2.92Å; G174-D177 WeakPolarHBondContact O-CB 3.35Å; G174-D177 PolarHBondContact O-N 2.86Å; G174-V209 CarbonylContact C-O 3.56Å; G174-V209 VanDerWaalsContact CA-O 3.23Å; G174-V209 WeakPolarHBondContact CA-O 3.49Å
175E98.6Very high97.7Very high85 Ų8544.7 Ų44.740%0.39722%0.221SC..THydrogen-bonded Turntrans-70.4-21.7-177.1-68.6-177.7-177.700113.7T205 Y206 P207 V209E175-T205 WeakPolarHBondContact OE1-CB 3.07Å; E175-T205 PolarHBondContact OE1-OG1 3.29Å; E175-Y206 PolarHBondContact N-O 3.36Å; E175-P207 WeakPolarHBondContact OE2-CA 3.43Å; E175-V209 PolarHBondContact N-O 2.84Å
176M98.3Very high97.9Very high97 Ų9740.2 Ų40.248%0.47821%0.208SC..THydrogen-bonded Turntrans-106.321.6178.4-53.7-161.7-36.300112.6G174 P178 G208 V209 M210G174-M176 PolarHBondContact O-N 2.92Å; M176-P178 WeakPolarHBondContact O-CD 3.34Å; M176-G208 WeakPolarHBondContact CE-O 3.14Å; M176-V209 WeakPolarHBondContact CA-O 3.31Å; M176-V209 PolarHBondContact N-O 2.95Å; M176-M210 HydrophobicContact CB-CG 4.1Å; M176-M210 HydrophobicContact CE-CE 3.6Å; M176-M210 HydrophobicContact CE-CG 4.03Å
177D98.4Very high98Very high8 Ų839.4 Ų39.44%0.04320%0.203CC..  trans-63.3112.8180-171.6-27000111.2H173 G174 M179 I180 H211H173-D177 IonicContact CD2-OD2 3.99Å; H173-D177 IonicContact NE2-OD2 3.5Å; H173-D177 PolarHBondContact NE2-OD2 2.8Å; G174-D177 WeakPolarHBondContact O-CB 3.35Å; G174-D177 PolarHBondContact O-N 2.86Å; D177-M179 WeakPolarHBondContact OD1-CA 3.28Å; D177-M179 PolarHBondContact OD1-N 3.37Å; D177-I180 WeakPolarHBondContact CB-O 3.49Å; D177-I180 PolarHBondContact OD1-N 2.92Å; D177-H211 VanDerWaalsContact CG-ND1 3.34Å; D177-H211 WeakPolarHBondContact OD1-CB 3.49Å; D177-H211 IonicContact OD1-CG 3.21Å; D177-H211 IonicContact OD1-ND1 3.33Å; D177-H211 PolarHBondContact OD1-ND1 2.82Å; D177-H211 IonicContact OD2-CE1 2.65Å; D177-H211 IonicContact OD2-CG 2.73Å; D177-H211 IonicContact OD2-ND1 3.32Å; D177-H211 PolarHBondContact OD2-ND1 2.97Å
178P96.8Very high98Very high93 Ų9339.6 Ų39.660%0.60421%0.205SC*.SBendtrans-84.8-14-178.935.6-34.6000112.9M176M176-P178 WeakPolarHBondContact O-CD 3.34Å
179M95.8Very high98Very high94 Ų9439.2 Ų39.246%0.46320%0.201SC..SBendtrans-92.1-51.8-175-61.5-57.7-67.500110.6L81 D177 H211L81-M179 HydrophobicContact CD1-CE 3.95Å; D177-M179 WeakPolarHBondContact OD1-CA 3.28Å; D177-M179 PolarHBondContact OD1-N 3.37Å; M179-H211 HydrophobicContact CB-CB 4.09Å; M179-H211 HydrophobicContact CG-CB 3.81Å
180I96.6Very high97.9Very high4 Ų445.4 Ų45.42%0.02123%0.23CC..SBendtrans-118.693.8174.3-51.5-61.9000106.5L81 W148 H173 D177 V182 F184L81-I180 HydrophobicContact CD2-CD1 3.85Å; W148-I180 HydrophobicContact CE3-CD1 3.81Å; W148-I180 HydrophobicContact CE3-CG1 4.37Å; W148-I180 HydrophobicContact CZ3-CD1 3.71Å; W148-I180 HydrophobicContact CZ3-CG1 4.37Å; H173-I180 PolarHBondContact NE2-O 2.9Å; D177-I180 WeakPolarHBondContact CB-O 3.49Å; D177-I180 PolarHBondContact OD1-N 2.92Å; I180-V182 PolarHBondContact O-N 3.38Å; I180-F184 HydrophobicContact CG2-CB 4.22Å; I180-F184 HydrophobicContact CG2-CD2 4.44Å
181P96.9Very high97.9Very high50 Ų5048 Ų4833%0.32524%0.242SC..  trans-49.9136.7179.8-29.734.4000112R183 F184P181-R183 PolarHBondContact O-N 2.94Å; P181-F184 HydrophobicContact CB-CE2 4.47Å; P181-F184 HydrophobicContact CG-CD2 4.32Å; P181-F184 HydrophobicContact CG-CE2 3.93Å; P181-F184 HydrophobicContact CG-CZ 4.17Å; P181-F184 WeakPolarHBondContact O-CB 3.43Å; P181-F184 PolarHBondContact O-N 2.92Å
182V98.1Very high97.9Very high44 Ų4448 Ų4827%0.26724%0.242SC..Hα-helixtrans-52.6-28.5-17965.80000113.2H173 I180 F184 G185 A186 F203 T205H173-V182 HydrophobicContact CB-CG2 4.23Å; I180-V182 PolarHBondContact O-N 3.38Å; V182-F184 VanDerWaalsContact C-N 3.26Å; V182-F184 PolarHBondContact O-N 3.13Å; V182-G185 CarbonylContact O-C 3.56Å; V182-G185 WeakPolarHBondContact O-CA 3.37Å; V182-G185 PolarHBondContact O-N 3.06Å; V182-G185 VanDerWaalsContact O-N 3.1Å; V182-A186 PolarHBondContact O-N 3.49Å; V182-F203 HydrophobicContact CG2-CZ 4.34Å; V182-T205 HydrophobicContact CG2-CG2 3.87Å
183R97.3Very high97.9Very high187 Ų18752.4 Ų52.471%0.70626%0.261SS*.Hα-helixtrans-57.7-35.5172.8-174.7176.9179-173.1-0.4112.7P181 A186 L187P181-R183 PolarHBondContact O-N 2.94Å; R183-A186 PolarHBondContact O-N 3.23Å; R183-L187 HydrophobicContact CG-CD1 4.49Å; R183-L187 WeakPolarHBondContact O-CG 3.33Å; R183-L187 PolarHBondContact O-N 3.01Å
184F95.6Very high97.8Very high40 Ų4055.8 Ų55.818%0.17528%0.284CS..Hα-helixtrans-72.5-35.1176.3-60.5-9.7000111.6L81 P83 I180 P181 V182 A186 L187 T188L81-F184 WeakPolarHBondContact O-CE2 3.4Å; P83-F184 HydrophobicContact CG-CD1 3.55Å; P83-F184 HydrophobicContact CG-CD2 4.36Å; P83-F184 HydrophobicContact CG-CE1 3.21Å; P83-F184 HydrophobicContact CG-CE2 4.08Å; P83-F184 HydrophobicContact CG-CG 4.15Å; P83-F184 HydrophobicContact CG-CZ 3.54Å; I180-F184 HydrophobicContact CG2-CB 4.22Å; I180-F184 HydrophobicContact CG2-CD2 4.44Å; P181-F184 HydrophobicContact CB-CE2 4.47Å; P181-F184 HydrophobicContact CG-CD2 4.32Å; P181-F184 HydrophobicContact CG-CE2 3.93Å; P181-F184 HydrophobicContact CG-CZ 4.17Å; P181-F184 WeakPolarHBondContact O-CB 3.43Å; P181-F184 PolarHBondContact O-N 2.92Å; V182-F184 VanDerWaalsContact C-N 3.26Å; V182-F184 PolarHBondContact O-N 3.13Å; F184-A186 VanDerWaalsContact C-N 3.35Å; F184-L187 HydrophobicContact CD1-CD1 4.37Å; F184-T188 VanDerWaalsContact O-CB 3.31Å; F184-T188 WeakPolarHBondContact O-CB 3.45Å; F184-T188 PolarHBondContact O-N 2.86Å; F184-T188 PolarHBondContact O-OG1 3.16Å
185G97.9Very high97.7Very high0 Ų056.9 Ų56.90%029%0.291CS..Hα-helixtrans-57.8-47.5167.200000111.4Q171 V182 T188 A189Q171-G185 PolarHBondContact NE2-O 2.94Å; V182-G185 CarbonylContact O-C 3.56Å; V182-G185 WeakPolarHBondContact O-CA 3.37Å; V182-G185 PolarHBondContact O-N 3.06Å; V182-G185 VanDerWaalsContact O-N 3.1Å; G185-T188 WeakPolarHBondContact O-CB 3.4Å; G185-T188 PolarHBondContact O-N 3.36Å; G185-A189 PolarHBondContact O-N 3.04Å
186A98.5Very high97.6Very high32 Ų3253.3 Ų53.326%0.26428%0.275SS..Hα-helixtrans-63.2-45.6178.200000113V182 R183 F184 T188 A189 E190 F203V182-A186 PolarHBondContact O-N 3.49Å; R183-A186 PolarHBondContact O-N 3.23Å; F184-A186 VanDerWaalsContact C-N 3.35Å; A186-T188 VanDerWaalsContact C-N 3.26Å; A186-T188 PolarHBondContact O-N 2.87Å; A186-A189 WeakPolarHBondContact O-CB 3.38Å; A186-A189 PolarHBondContact O-N 3.07Å; A186-A189 VanDerWaalsContact O-N 3.13Å; A186-E190 PolarHBondContact O-N 3.39Å; A186-F203 HydrophobicContact CB-CE1 3.99Å; A186-F203 HydrophobicContact CB-CZ 4.32Å
187L98Very high97.6Very high77 Ų7750.8 Ų50.840%0.40327%0.265SS..Hα-helixtrans-60.5-38.6174.5-71.9171.7000111.6R183 F184 K191R183-L187 HydrophobicContact CG-CD1 4.49Å; R183-L187 WeakPolarHBondContact O-CG 3.33Å; R183-L187 PolarHBondContact O-N 3.01Å; F184-L187 HydrophobicContact CD1-CD1 4.37Å; L187-K191 WeakPolarHBondContact O-CB 3.5Å; L187-K191 PolarHBondContact O-N 3.25Å
188T98.5Very high97.5Very high10 Ų1054 Ų546%0.06129%0.286CS..Hα-helixtrans-62.4-48173-66.50000110.7L129 W148 L149 F184 G185 A186 E190 K191 L192L129-T188 HydrophobicContact CD1-CG2 3.95Å; W148-T188 WeakPolarHBondContact CA-OG1 3.34Å; L149-T188 HydrophobicContact CB-CG2 3.85Å; L149-T188 PolarHBondContact N-OG1 2.86Å; L149-T188 VanDerWaalsContact N-OG1 3.14Å; F184-T188 VanDerWaalsContact O-CB 3.31Å; F184-T188 WeakPolarHBondContact O-CB 3.45Å; F184-T188 PolarHBondContact O-N 2.86Å; F184-T188 PolarHBondContact O-OG1 3.16Å; G185-T188 WeakPolarHBondContact O-CB 3.4Å; G185-T188 PolarHBondContact O-N 3.36Å; A186-T188 VanDerWaalsContact C-N 3.26Å; A186-T188 PolarHBondContact O-N 2.87Å; T188-E190 VanDerWaalsContact C-N 3.34Å; T188-E190 PolarHBondContact O-N 3.2Å; T188-K191 WeakPolarHBondContact O-CB 3.19Å; T188-K191 PolarHBondContact O-N 3.32Å; T188-K191 VanDerWaalsContact O-N 3.11Å; T188-L192 HydrophobicContact CG2-CD1 3.87Å; T188-L192 HydrophobicContact CG2-CG 4.21Å; T188-L192 VanDerWaalsContact O-CG 3.23Å; T188-L192 WeakPolarHBondContact O-CG 3.33Å; T188-L192 PolarHBondContact O-N 3.33Å
189A98.8Very high97.6Very high2 Ų255.5 Ų55.52%0.01729%0.294CS..Hα-helixtrans-59.6-43178.800000112.3Q171 G185 A186 L192 K193 F203Q171-A189 VanDerWaalsContact OE1-CA 3.29Å; Q171-A189 VanDerWaalsContact OE1-CB 3.29Å; G185-A189 PolarHBondContact O-N 3.04Å; A186-A189 WeakPolarHBondContact O-CB 3.38Å; A186-A189 PolarHBondContact O-N 3.07Å; A186-A189 VanDerWaalsContact O-N 3.13Å; A189-L192 PolarHBondContact O-N 3.36Å; A189-K193 WeakPolarHBondContact O-CG 3.39Å; A189-K193 PolarHBondContact O-N 2.97Å; A189-F203 HydrophobicContact CB-CB 3.87Å; A189-F203 HydrophobicContact CB-CD1 4.23Å; A189-F203 HydrophobicContact CB-CD2 4.1Å; A189-F203 HydrophobicContact CB-CG 3.81Å
190E98.4Very high97.7Very high130 Ų13055.3 Ų55.361%0.60729%0.291SS*.Hα-helixtrans-61.3-45.1174-73-179.7175.600111.4A186 T188 L192 K193 S194A186-E190 PolarHBondContact O-N 3.39Å; T188-E190 VanDerWaalsContact C-N 3.34Å; T188-E190 PolarHBondContact O-N 3.2Å; E190-L192 VanDerWaalsContact C-N 3.34Å; E190-L192 PolarHBondContact O-N 3.32Å; E190-K193 PolarHBondContact O-N 2.89Å; E190-S194 PolarHBondContact O-N 3.12Å
191K98.3Very high97.8Very high56 Ų5655.8 Ų55.824%0.24329%0.293CS..Hα-helixtrans-62.1-43.6176.9-171.161.9177.8-1770111.4L149 H152 F155 L187 T188 K193 S194 V195L149-K191 HydrophobicContact CD2-CB 4.42Å; L149-K191 HydrophobicContact CD2-CG 3.75Å; H152-K191 WeakPolarHBondContact O-CE 3.31Å; F155-K191 WeakPolarHBondContact O-CE 3.34Å; F155-K191 PolarHBondContact O-NZ 2.96Å; L187-K191 WeakPolarHBondContact O-CB 3.5Å; L187-K191 PolarHBondContact O-N 3.25Å; T188-K191 WeakPolarHBondContact O-CB 3.19Å; T188-K191 PolarHBondContact O-N 3.32Å; T188-K191 VanDerWaalsContact O-N 3.11Å; K191-K193 VanDerWaalsContact C-N 3.34Å; K191-K193 PolarHBondContact O-N 3.41Å; K191-S194 WeakPolarHBondContact O-CA 3.16Å; K191-S194 WeakPolarHBondContact O-CB 3.38Å; K191-S194 PolarHBondContact O-N 3.21Å; K191-S194 PolarHBondContact O-OG 2.78Å; K191-V195 WeakPolarHBondContact O-CG2 3.46Å; K191-V195 PolarHBondContact O-N 2.7Å
192L98.5Very high97.9Very high0 Ų057 Ų570%030%0.295CS..Hα-helixtrans-59.8-43.2177.3-68171.6000111.6L129 L133 L149 I169 T188 A189 E190 S194 V195 V196 V201L129-L192 HydrophobicContact CD2-CD1 3.87Å; L129-L192 HydrophobicContact CD2-CD2 4Å; L133-L192 HydrophobicContact CD1-CD2 3.68Å; L149-L192 HydrophobicContact CD2-CD2 4.41Å; I169-L192 HydrophobicContact CD1-CB 4.42Å; I169-L192 HydrophobicContact CD1-CD1 4.26Å; I169-L192 HydrophobicContact CD1-CD2 4.06Å; I169-L192 HydrophobicContact CD1-CG 4.48Å; I169-L192 HydrophobicContact CG2-CD1 4.24Å; T188-L192 HydrophobicContact CG2-CD1 3.87Å; T188-L192 HydrophobicContact CG2-CG 4.21Å; T188-L192 VanDerWaalsContact O-CG 3.23Å; T188-L192 WeakPolarHBondContact O-CG 3.33Å; T188-L192 PolarHBondContact O-N 3.33Å; A189-L192 PolarHBondContact O-N 3.36Å; E190-L192 VanDerWaalsContact C-N 3.34Å; E190-L192 PolarHBondContact O-N 3.32Å; L192-S194 PolarHBondContact O-N 3.16Å; L192-S194 VanDerWaalsContact O-N 3.16Å; L192-V195 PolarHBondContact O-N 3.48Å; L192-V196 WeakPolarHBondContact O-CG2 3.35Å; L192-V196 PolarHBondContact O-N 3.29Å; L192-V201 HydrophobicContact CB-CG1 4.26Å; L192-V201 HydrophobicContact CB-CG2 4.23Å
193K98.1Very high98Very high92 Ų9257.8 Ų57.840%0.430%0.295SS..Hα-helixtrans-61.6-21.2174.6-70.1169.9-175.5174.90113.6A189 E190 K191 P198 V201A189-K193 WeakPolarHBondContact O-CG 3.39Å; A189-K193 PolarHBondContact O-N 2.97Å; E190-K193 PolarHBondContact O-N 2.89Å; K191-K193 VanDerWaalsContact C-N 3.34Å; K191-K193 PolarHBondContact O-N 3.41Å; K193-P198 HydrophobicContact CB-CB 4.21Å; K193-P198 HydrophobicContact CG-CB 4.31Å; K193-P198 WeakPolarHBondContact O-CG 3.29Å; K193-V201 HydrophobicContact CG-CB 3.92Å; K193-V201 HydrophobicContact CG-CG1 4.23Å; K193-V201 HydrophobicContact CG-CG2 4.11Å
194S96.8Very high98Very high71 Ų7152.1 Ų52.150%0.49728%0.275SS..Hα-helixtrans-85.7-14.5172.278.60000114.1E190 K191 L192E190-S194 PolarHBondContact O-N 3.12Å; K191-S194 WeakPolarHBondContact O-CA 3.16Å; K191-S194 WeakPolarHBondContact O-CB 3.38Å; K191-S194 PolarHBondContact O-N 3.21Å; K191-S194 PolarHBondContact O-OG 2.78Å; L192-S194 PolarHBondContact O-N 3.16Å; L192-S194 VanDerWaalsContact O-N 3.16Å
195V96.8Very high98.2Very high22 Ų2252.8 Ų52.813%0.13328%0.282CS..Hα-helixtrans-102-40.1-175.8176.90000111.7L133 F155 P156 A159 K191 L192L133-V195 HydrophobicContact CD2-CG1 4.05Å; F155-V195 HydrophobicContact CB-CG2 3.79Å; F155-V195 HydrophobicContact CD1-CG1 4.09Å; F155-V195 HydrophobicContact CD1-CG2 4.13Å; F155-V195 HydrophobicContact CG-CG2 4.33Å; P156-V195 HydrophobicContact CB-CG2 4.14Å; A159-V195 HydrophobicContact CB-CG1 3.66Å; K191-V195 WeakPolarHBondContact O-CG2 3.46Å; K191-V195 PolarHBondContact O-N 2.7Å; L192-V195 PolarHBondContact O-N 3.48Å
196V97.4Very high98.2Very high10 Ų1054 Ų546%0.06129%0.287CS..SBendtrans-118.7170.2-179.5-560000110.3L133 K165 I167 I169 L192 P198 V201L133-V196 HydrophobicContact CD2-CG1 3.6Å; K165-V196 CarbonylContact O-C 3.52Å; K165-V196 WeakPolarHBondContact O-CA 3.43Å; K165-V196 WeakPolarHBondContact O-CB 3.18Å; I167-V196 HydrophobicContact CG2-CG1 3.87Å; I169-V196 HydrophobicContact CD1-CG2 3.93Å; L192-V196 WeakPolarHBondContact O-CG2 3.35Å; L192-V196 PolarHBondContact O-N 3.29Å; V196-P198 VanDerWaalsContact O-CD 3.3Å; V196-P198 WeakPolarHBondContact O-CD 3.43Å; V196-P198 VanDerWaalsContact O-N 3.11Å; V196-V201 HydrophobicContact CG2-CG2 3.44Å; V196-V201 VanDerWaalsContact CG2-CG2 3.44Å
197T97.3Very high98.2Very high45 Ų4557.1 Ų57.128%0.27631%0.305SS..  trans-54.4116.5176.2-65.20000110.5K165 D166 T199 K200K165-T197 PolarHBondContact O-N 3.36Å; K165-T197 PolarHBondContact O-OG1 3.19Å; D166-T197 WeakPolarHBondContact OD1-CB 3.47Å; D166-T197 PolarHBondContact OD1-OG1 3.43Å; T197-T199 WeakPolarHBondContact CG2-OG1 3.47Å; T197-T199 PolarHBondContact O-N 3.49Å; T197-T199 VanDerWaalsContact O-N 3.08Å; T197-K200 HydrophobicContact CG2-CG 4.05Å; T197-K200 VanDerWaalsContact O-CB 3.29Å; T197-K200 WeakPolarHBondContact O-CB 3.21Å; T197-K200 PolarHBondContact O-N 3.37Å
198P98.1Very high98.2Very high75 Ų7555.9 Ų55.949%0.48731%0.311SS..G310 helixtrans-56.3-34.8-169.3-26.729.6000114.7K193 V196 K200 V201K193-P198 HydrophobicContact CB-CB 4.21Å; K193-P198 HydrophobicContact CG-CB 4.31Å; K193-P198 WeakPolarHBondContact O-CG 3.29Å; V196-P198 VanDerWaalsContact O-CD 3.3Å; V196-P198 WeakPolarHBondContact O-CD 3.43Å; V196-P198 VanDerWaalsContact O-N 3.11Å; P198-K200 PolarHBondContact O-N 3.12Å; P198-V201 PolarHBondContact O-N 2.9Å
199T98.1Very high98.2Very high125 Ų12556.3 Ų56.377%0.76731%0.313SS*.G310 helixtrans-70.7-10.6-179.757.80000113.5T197T197-T199 WeakPolarHBondContact CG2-OG1 3.47Å; T197-T199 PolarHBondContact O-N 3.49Å; T197-T199 VanDerWaalsContact O-N 3.08Å
200K98.3Very high98.2Very high90 Ų9061.2 Ų61.239%0.39134%0.337SS..G310 helixtrans-89.4-9.4175.8-61.6-66.8-171.2172.50113.1I167 I169 T197 P198I167-K200 WeakPolarHBondContact O-CB 3.5Å; I169-K200 PolarHBondContact N-O 2.93Å; T197-K200 HydrophobicContact CG2-CG 4.05Å; T197-K200 VanDerWaalsContact O-CB 3.29Å; T197-K200 WeakPolarHBondContact O-CB 3.21Å; T197-K200 PolarHBondContact O-N 3.37Å; P198-K200 PolarHBondContact O-N 3.12Å
201V98.8Very high98.2Very high13 Ų1357.4 Ų57.48%0.07932%0.319CS..EExtended strand (participates in β ladder)trans-99114.1-179.4-173.90000110.3I169 L192 K193 V196 P198I169-V201 HydrophobicContact CD1-CG2 4.34Å; L192-V201 HydrophobicContact CB-CG1 4.26Å; L192-V201 HydrophobicContact CB-CG2 4.23Å; K193-V201 HydrophobicContact CG-CB 3.92Å; K193-V201 HydrophobicContact CG-CG1 4.23Å; K193-V201 HydrophobicContact CG-CG2 4.11Å; V196-V201 HydrophobicContact CG2-CG2 3.44Å; V196-V201 VanDerWaalsContact CG2-CG2 3.44Å; P198-V201 PolarHBondContact O-N 2.9Å
202Q98.8Very high98.2Very high76 Ų7657.4 Ų57.436%0.35533%0.327SS..EExtended strand (participates in β ladder)trans-102.7125170.7-64174.856.800108.8I169 L170 Q171I169-Q202 PolarHBondContact O-N 2.66Å; L170-Q202 HydrophobicContact CD1-CB 4.13Å; Q171-Q202 PolarHBondContact N-O 2.9Å
203F98.8Very high98Very high61 Ų6159.6 Ų59.627%0.26834%0.342SS..EExtended strand (participates in β ladder)trans-115.1113.6172-179-125000108.6Q171 H173 V182 A186 A189 T205Q171-F203 HydrophobicContact CB-CD2 4.01Å; Q171-F203 HydrophobicContact CG-CD2 3.79Å; Q171-F203 HydrophobicContact CG-CE2 4.14Å; Q171-F203 CarbonylContact O-C 3.4Å; Q171-F203 WeakPolarHBondContact O-CA 3.27Å; H173-F203 HydrophobicContact CB-CE2 3.92Å; H173-F203 HydrophobicContact CB-CZ 4.19Å; V182-F203 HydrophobicContact CG2-CZ 4.34Å; A186-F203 HydrophobicContact CB-CE1 3.99Å; A186-F203 HydrophobicContact CB-CZ 4.32Å; A189-F203 HydrophobicContact CB-CB 3.87Å; A189-F203 HydrophobicContact CB-CD1 4.23Å; A189-F203 HydrophobicContact CB-CD2 4.1Å; A189-F203 HydrophobicContact CB-CG 3.81Å; F203-T205 HydrophobicContact CD1-CG2 4.34Å; F203-T205 HydrophobicContact CE1-CG2 3.63Å; F203-T205 HydrophobicContact CE2-CG2 4.4Å; F203-T205 HydrophobicContact CZ-CG2 3.67Å
204K98.9Very high98Very high67 Ų6756 Ų5629%0.29133%0.328SS..EExtended strand (participates in β ladder)trans-112.3129.7179.8-63.6-172-179.9-177.10109.5L170 Q171 C172 H173 Y206 A220L170-K204 HydrophobicContact CD1-CD 4.04Å; L170-K204 HydrophobicContact CD1-CG 4.28Å; Q171-K204 PolarHBondContact O-N 3.17Å; C172-K204 CarbonylContact C-O 3.22Å; C172-K204 VanDerWaalsContact CA-O 3.28Å; C172-K204 WeakPolarHBondContact CA-O 3.39Å; H173-K204 PolarHBondContact N-O 3.41Å; K204-Y206 HydrophobicContact CB-CE2 3.98Å; K204-A220 HydrophobicContact CD-CB 4Å
205T98.8Very high98.1Very high54 Ų5457.6 Ų57.633%0.33134%0.337SS..EExtended strand (participates in β ladder)trans-108.9149.8173.461.20000110.7H173 E175 V182 F203H173-T205 CarbonylContact O-C 3.55Å; H173-T205 VanDerWaalsContact O-CA 3.26Å; H173-T205 WeakPolarHBondContact O-CA 3.4Å; E175-T205 WeakPolarHBondContact OE1-CB 3.07Å; E175-T205 PolarHBondContact OE1-OG1 3.29Å; V182-T205 HydrophobicContact CG2-CG2 3.87Å; F203-T205 HydrophobicContact CD1-CG2 4.34Å; F203-T205 HydrophobicContact CE1-CG2 3.63Å; F203-T205 HydrophobicContact CE2-CG2 4.4Å; F203-T205 HydrophobicContact CZ-CG2 3.67Å
206Y98.8Very high98.2Very high26 Ų2662.6 Ų62.610%0.10236%0.359CS..EExtended strand (participates in β ladder)trans-122.6107.8-176.2-63-86.9000110.3C172 H173 E175 K204 V209 Q216 E217 A220C172-Y206 HydrophobicContact CB-CE2 3.77Å; H173-Y206 PolarHBondContact O-N 3.13Å; E175-Y206 PolarHBondContact N-O 3.36Å; K204-Y206 HydrophobicContact CB-CE2 3.98Å; Y206-V209 PolarHBondContact O-N 3.1Å; Y206-Q216 HydrophobicContact CD1-CB 4.1Å; Y206-Q216 HydrophobicContact CE1-CB 3.82Å; Y206-E217 HydrophobicContact CD2-CB 4.26Å; Y206-E217 HydrophobicContact CD2-CG 4.47Å; Y206-E217 HydrophobicContact CE1-CB 4.09Å; Y206-E217 HydrophobicContact CE2-CB 3.84Å; Y206-E217 HydrophobicContact CE2-CG 3.87Å; Y206-E217 VanDerWaalsContact CZ-CA 3.49Å; Y206-E217 WeakPolarHBondContact OH-CA 3.02Å; Y206-A220 WeakPolarHBondContact OH-CB 3.48Å
207P98.4Very high98.2Very high98 Ų9862.2 Ų62.264%0.63636%0.356SS*.THydrogen-bonded Turntrans-58.4137.7178.8-25.833.7000112.5E175 V209E175-P207 WeakPolarHBondContact OE2-CA 3.43Å; P207-V209 PolarHBondContact O-N 3.2Å; P207-V209 VanDerWaalsContact O-N 3.17Å
208G97.9Very high98.3Very high51 Ų5160.8 Ų60.853%0.52635%0.347SS..THydrogen-bonded Turntrans73.7-4.3178.500000115.4M176M176-G208 WeakPolarHBondContact CE-O 3.14Å
209V98.5Very high98.3Very high19 Ų1961.1 Ų61.112%0.11534%0.342CS..  trans-85.6134.4175.7-177.80000109.5G174 E175 M176 Y206 P207 S212 C214G174-V209 CarbonylContact C-O 3.56Å; G174-V209 VanDerWaalsContact CA-O 3.23Å; G174-V209 WeakPolarHBondContact CA-O 3.49Å; E175-V209 PolarHBondContact N-O 2.84Å; M176-V209 WeakPolarHBondContact CA-O 3.31Å; M176-V209 PolarHBondContact N-O 2.95Å; Y206-V209 PolarHBondContact O-N 3.1Å; P207-V209 PolarHBondContact O-N 3.2Å; P207-V209 VanDerWaalsContact O-N 3.17Å; V209-S212 WeakPolarHBondContact CG1-O 3.41Å; V209-C214 HydrophobicContact CG2-CB 3.9Å
210M98.6Very high98.4Very high104 Ų10455.4 Ų55.451%0.51231%0.308SS..  trans-96-144.5177.8-63.1-177.8176.800110.4M176 S212M176-M210 HydrophobicContact CB-CG 4.1Å; M176-M210 HydrophobicContact CE-CE 3.6Å; M176-M210 HydrophobicContact CE-CG 4.03Å; M210-S212 PolarHBondContact O-N 3.1Å
211H98.3Very high98.4Very high50 Ų5051.2 Ų51.223%0.23129%0.29CS..SBendtrans-78.963.5174.5-159.258000111.7F121 S122 D177 M179F121-H211 AromaticContact CE1-CD2 3.96Å; F121-H211 AromaticContact CE1-NE2 3.6Å; F121-H211 AromaticContact CZ-CD2 3.8Å; F121-H211 AromaticContact CZ-CE1 3.77Å; F121-H211 AromaticContact CZ-ND1 3.98Å; F121-H211 AromaticContact CZ-NE2 3.68Å; S122-H211 WeakPolarHBondContact CB-NE2 3.33Å; S122-H211 PolarHBondContact OG-CE1 3.37Å; S122-H211 PolarHBondContact OG-NE2 2.94Å; S122-H211 VanDerWaalsContact OG-NE2 3.12Å; D177-H211 VanDerWaalsContact CG-ND1 3.34Å; D177-H211 WeakPolarHBondContact OD1-CB 3.49Å; D177-H211 IonicContact OD1-CG 3.21Å; D177-H211 IonicContact OD1-ND1 3.33Å; D177-H211 PolarHBondContact OD1-ND1 2.82Å; D177-H211 IonicContact OD2-CE1 2.65Å; D177-H211 IonicContact OD2-CG 2.73Å; D177-H211 IonicContact OD2-ND1 3.32Å; D177-H211 PolarHBondContact OD2-ND1 2.97Å; M179-H211 HydrophobicContact CB-CB 4.09Å; M179-H211 HydrophobicContact CG-CB 3.81Å
212S97.4Very high98.4Very high57 Ų5753.7 Ų53.740%0.39930%0.3SS..SBendtrans-151.5173.4-179.5690000110.1V209 M210V209-S212 WeakPolarHBondContact CG1-O 3.41Å; M210-S212 PolarHBondContact O-N 3.1Å
213S96.1Very high98.4Very high46 Ų4655.2 Ų55.232%0.32231%0.307SS..  trans-88.7172.5165.163.60000111.7E217S213-E217 WeakPolarHBondContact CA-OE2 3.28Å; S213-E217 WeakPolarHBondContact CB-OE2 3.42Å
214C98.1Very high98.4Very high17 Ų1752.8 Ų52.812%0.11530%0.296CS..  trans-144.9163.717274.50000111.7V209 Q216 E217 M218V209-C214 HydrophobicContact CG2-CB 3.9Å; C214-Q216 VanDerWaalsContact C-N 3.3Å; C214-Q216 PolarHBondContact O-N 2.77Å; C214-E217 WeakPolarHBondContact O-CB 3.42Å; C214-E217 PolarHBondContact O-N 3.32Å; C214-E217 VanDerWaalsContact O-N 3.08Å; C214-E217 PolarHBondContact SG-N 2.96Å; C214-E217 VanDerWaalsContact SG-N 3.37Å; C214-M218 WeakPolarHBondContact O-CG 3.23Å; C214-M218 PolarHBondContact O-N 2.76Å
215P97.9Very high98.4Very high104 Ų10449.6 Ų49.668%0.67528%0.282SS*.Hα-helixtrans-57-39.2-178.9-27.636.2000114.2E217 M218 M219P215-E217 VanDerWaalsContact C-N 3.33Å; P215-M218 PolarHBondContact O-N 3Å; P215-M219 PolarHBondContact O-N 3.11Å
216Q98.4Very high98.4Very high127 Ų12751.7 Ų51.759%0.59329%0.288SS*.Hα-helixtrans-67-35.9178.1-63.486.1-23.900111.7Y206 C214 A220Y206-Q216 HydrophobicContact CD1-CB 4.1Å; Y206-Q216 HydrophobicContact CE1-CB 3.82Å; C214-Q216 VanDerWaalsContact C-N 3.3Å; C214-Q216 PolarHBondContact O-N 2.77Å; Q216-A220 PolarHBondContact O-N 3.37Å; Q216-A220 VanDerWaalsContact O-N 3.11Å
217E98.6Very high98.3Very high1 Ų158.4 Ų58.41%0.00532%0.318CS..Hα-helixtrans-65.6-48.9172.8-174.8-175.4-117.500110.9L145 C172 Y206 S213 C214 P215 M219 A220 V221L145-E217 HydrophobicContact CD2-CG 4.27Å; C172-E217 HydrophobicContact CB-CG 3.74Å; C172-E217 WeakPolarHBondContact CB-OE1 3.34Å; Y206-E217 HydrophobicContact CD2-CB 4.26Å; Y206-E217 HydrophobicContact CD2-CG 4.47Å; Y206-E217 HydrophobicContact CE1-CB 4.09Å; Y206-E217 HydrophobicContact CE2-CB 3.84Å; Y206-E217 HydrophobicContact CE2-CG 3.87Å; Y206-E217 VanDerWaalsContact CZ-CA 3.49Å; Y206-E217 WeakPolarHBondContact OH-CA 3.02Å; S213-E217 WeakPolarHBondContact CA-OE2 3.28Å; S213-E217 WeakPolarHBondContact CB-OE2 3.42Å; C214-E217 WeakPolarHBondContact O-CB 3.42Å; C214-E217 PolarHBondContact O-N 3.32Å; C214-E217 VanDerWaalsContact O-N 3.08Å; C214-E217 PolarHBondContact SG-N 2.96Å; C214-E217 VanDerWaalsContact SG-N 3.37Å; P215-E217 VanDerWaalsContact C-N 3.33Å; E217-M219 PolarHBondContact O-N 3.25Å; E217-A220 WeakPolarHBondContact O-CB 3.36Å; E217-A220 PolarHBondContact O-N 3.34Å; E217-A220 VanDerWaalsContact O-N 3.07Å; E217-V221 WeakPolarHBondContact O-CG2 3.49Å; E217-V221 PolarHBondContact O-N 2.9Å
218M98.6Very high98.3Very high16 Ų1656 Ų568%0.07930%0.3CS..Hα-helixtrans-61.5-32.6178.5-64.3-52.1-63.400112.3W40 A43 L44 I47 C214 P215 V221 K222W40-M218 HydrophobicContact CZ3-SD 4.28Å; A43-M218 HydrophobicContact CB-CE 4.29Å; L44-M218 HydrophobicContact CD2-CE 4.31Å; I47-M218 HydrophobicContact CD1-CE 3.71Å; I47-M218 HydrophobicContact CG1-CE 4.12Å; I47-M218 HydrophobicContact CG2-CB 4.26Å; C214-M218 WeakPolarHBondContact O-CG 3.23Å; C214-M218 PolarHBondContact O-N 2.76Å; P215-M218 PolarHBondContact O-N 3Å; M218-V221 PolarHBondContact O-N 3.07Å; M218-K222 WeakPolarHBondContact O-CB 3.36Å; M218-K222 PolarHBondContact O-N 3.16Å
219M98.6Very high98.4Very high81 Ų8153.6 Ų53.640%0.39928%0.275SS..Hα-helixtrans-68.9-42.2173.2-163.651.73900112.8P215 E217 V221 K222 E223P215-M219 PolarHBondContact O-N 3.11Å; E217-M219 PolarHBondContact O-N 3.25Å; M219-V221 VanDerWaalsContact C-N 3.26Å; M219-V221 PolarHBondContact O-N 2.75Å; M219-K222 HydrophobicContact CE-CD 4.02Å; M219-K222 WeakPolarHBondContact O-CB 3.42Å; M219-K222 PolarHBondContact O-N 2.87Å; M219-K222 HydrophobicContact SD-CB 4.26Å; M219-K222 HydrophobicContact SD-CD 3.89Å; M219-E223 WeakPolarHBondContact O-CG 3.31Å; M219-E223 PolarHBondContact O-N 2.95Å
220A98.8Very high98.3Very high5 Ų555.9 Ų55.94%0.04129%0.29CS..Hα-helixtrans-60.4-38.3172.900000112L170 K204 Y206 Q216 E217 F224L170-A220 HydrophobicContact CD2-CB 4.4Å; L170-A220 WeakPolarHBondContact CD2-O 3.02Å; K204-A220 HydrophobicContact CD-CB 4Å; Y206-A220 WeakPolarHBondContact OH-CB 3.48Å; Q216-A220 PolarHBondContact O-N 3.37Å; Q216-A220 VanDerWaalsContact O-N 3.11Å; E217-A220 WeakPolarHBondContact O-CB 3.36Å; E217-A220 PolarHBondContact O-N 3.34Å; E217-A220 VanDerWaalsContact O-N 3.07Å; A220-F224 VanDerWaalsContact O-CB 3.28Å; A220-F224 WeakPolarHBondContact O-CB 3.41Å; A220-F224 PolarHBondContact O-N 2.84Å
221V98.9Very high98.2Very high2 Ų258.5 Ų58.51%0.01229%0.294CS..Hα-helixtrans-63.3-46.9173.8173.60000110.7I47 V143 L145 L170 E217 M218 M219 F224 I225I47-V221 HydrophobicContact CD1-CB 4.17Å; I47-V221 HydrophobicContact CD1-CG1 3.75Å; V143-V221 HydrophobicContact CG1-CG1 4.09Å; V143-V221 HydrophobicContact CG1-CG2 3.77Å; V143-V221 HydrophobicContact CG2-CG1 4.44Å; L145-V221 HydrophobicContact CD2-CG2 4Å; L170-V221 HydrophobicContact CD2-CG2 4.04Å; E217-V221 WeakPolarHBondContact O-CG2 3.49Å; E217-V221 PolarHBondContact O-N 2.9Å; M218-V221 PolarHBondContact O-N 3.07Å; M219-V221 VanDerWaalsContact C-N 3.26Å; M219-V221 PolarHBondContact O-N 2.75Å; V221-F224 PolarHBondContact O-N 3.26Å; V221-I225 HydrophobicContact CG1-CD1 3.62Å; V221-I225 HydrophobicContact CG1-CG1 4.32Å; V221-I225 VanDerWaalsContact O-CG1 3.26Å; V221-I225 WeakPolarHBondContact O-CG1 3.23Å; V221-I225 PolarHBondContact O-N 2.99Å
222K98.7Very high98Very high66 Ų6664 Ų6429%0.28732%0.324SS..Hα-helixtrans-56.6-53177.3-173.1-177.5173.7-175.60111.9I47 M218 M219 F224 I225 E226I47-K222 HydrophobicContact CB-CB 3.91Å; I47-K222 HydrophobicContact CB-CD 4.12Å; I47-K222 HydrophobicContact CB-CG 4.04Å; I47-K222 HydrophobicContact CD1-CB 4.21Å; I47-K222 HydrophobicContact CG2-CB 4.12Å; I47-K222 HydrophobicContact CG2-CD 4.29Å; M218-K222 WeakPolarHBondContact O-CB 3.36Å; M218-K222 PolarHBondContact O-N 3.16Å; M219-K222 HydrophobicContact CE-CD 4.02Å; M219-K222 WeakPolarHBondContact O-CB 3.42Å; M219-K222 PolarHBondContact O-N 2.87Å; M219-K222 HydrophobicContact SD-CB 4.26Å; M219-K222 HydrophobicContact SD-CD 3.89Å; K222-F224 VanDerWaalsContact C-N 3.26Å; K222-F224 PolarHBondContact O-N 2.74Å; K222-I225 PolarHBondContact O-N 3.5Å; K222-E226 WeakPolarHBondContact O-CB 3.26Å; K222-E226 PolarHBondContact O-N 3.36Å
223E98.8Very high98Very high108 Ų10864.4 Ų64.451%0.50532%0.32SS..Hα-helixtrans-59-39.4179.9-71.1171.7-18000111.8M219 K227M219-E223 WeakPolarHBondContact O-CG 3.31Å; M219-E223 PolarHBondContact O-N 2.95Å; E223-K227 VanDerWaalsContact O-CB 3.26Å; E223-K227 WeakPolarHBondContact O-CB 3.34Å; E223-K227 PolarHBondContact O-N 3.35Å
224F98.9Very high98.1Very high9 Ų965.3 Ų65.34%0.03932%0.32CS..Hα-helixtrans-66.4-46.2177.7-178.7-98.7000112.2I117 V143 A168 L170 A220 V221 K222 K227 L228I117-F224 HydrophobicContact CD1-CE1 4.5Å; V143-F224 HydrophobicContact CG2-CD1 3.68Å; V143-F224 HydrophobicContact CG2-CE1 3.81Å; A168-F224 HydrophobicContact CB-CE2 3.95Å; A168-F224 HydrophobicContact CB-CZ 3.83Å; L170-F224 HydrophobicContact CB-CB 4.44Å; L170-F224 HydrophobicContact CB-CD1 3.97Å; L170-F224 HydrophobicContact CB-CD2 3.74Å; L170-F224 HydrophobicContact CB-CE1 4.03Å; L170-F224 HydrophobicContact CB-CE2 3.8Å; L170-F224 HydrophobicContact CB-CG 3.8Å; L170-F224 HydrophobicContact CB-CZ 3.93Å; L170-F224 HydrophobicContact CD2-CB 3.78Å; L170-F224 HydrophobicContact CD2-CD1 4.44Å; L170-F224 HydrophobicContact CD2-CG 4.04Å; A220-F224 VanDerWaalsContact O-CB 3.28Å; A220-F224 WeakPolarHBondContact O-CB 3.41Å; A220-F224 PolarHBondContact O-N 2.84Å; V221-F224 PolarHBondContact O-N 3.26Å; K222-F224 VanDerWaalsContact C-N 3.26Å; K222-F224 PolarHBondContact O-N 2.74Å; F224-K227 PolarHBondContact O-N 3.22Å; F224-L228 HydrophobicContact CD1-CD1 3.94Å; F224-L228 HydrophobicContact CD2-CD1 4.24Å; F224-L228 HydrophobicContact CE1-CD1 3.4Å; F224-L228 HydrophobicContact CE2-CD1 3.75Å; F224-L228 HydrophobicContact CG-CD1 4.34Å; F224-L228 HydrophobicContact CZ-CD1 3.3Å; F224-L228 HydrophobicContact CZ-CG 4.49Å; F224-L228 WeakPolarHBondContact O-CG 3.45Å; F224-L228 PolarHBondContact O-N 3.33Å; F224-L228 VanDerWaalsContact O-N 3.12Å
225I98.8Very high98.1Very high1 Ų168 Ų681%0.00533%0.331CS..Hα-helixtrans-61.5-48.6176.2-67.3169.5000109.8V27 L49 Y54 I117 V221 K222 K227 L228 L229V27-I225 HydrophobicContact CG2-CD1 4.13Å; V27-I225 HydrophobicContact CG2-CG1 4.45Å; V27-I225 HydrophobicContact CG2-CG2 4.25Å; L49-I225 HydrophobicContact CD1-CG2 3.75Å; L49-I225 HydrophobicContact CG-CG2 4.48Å; Y54-I225 HydrophobicContact CE1-CD1 4.15Å; I117-I225 HydrophobicContact CD1-CB 4.34Å; I117-I225 HydrophobicContact CD1-CG1 3.99Å; I117-I225 HydrophobicContact CD1-CG2 4.49Å; V221-I225 HydrophobicContact CG1-CD1 3.62Å; V221-I225 HydrophobicContact CG1-CG1 4.32Å; V221-I225 VanDerWaalsContact O-CG1 3.26Å; V221-I225 WeakPolarHBondContact O-CG1 3.23Å; V221-I225 PolarHBondContact O-N 2.99Å; K222-I225 PolarHBondContact O-N 3.5Å; I225-K227 VanDerWaalsContact C-N 3.33Å; I225-K227 PolarHBondContact O-N 2.94Å; I225-L228 PolarHBondContact O-N 3.27Å; I225-L229 HydrophobicContact CG2-CD1 4.04Å; I225-L229 WeakPolarHBondContact O-CB 3.18Å; I225-L229 PolarHBondContact O-N 3.08Å
226E98.4Very high98.1Very high97 Ų9765.9 Ų65.945%0.45331%0.311SS..Hα-helixtrans-61.1-40.3-178.7-174.6169.2-161.800112.3L49 K222 L229L49-E226 HydrophobicContact CD1-CB 3.93Å; L49-E226 HydrophobicContact CD1-CG 4.41Å; L49-E226 HydrophobicContact CD2-CB 4.42Å; K222-E226 WeakPolarHBondContact O-CB 3.26Å; K222-E226 PolarHBondContact O-N 3.36Å; E226-L229 CarbonylContact O-C 3.35Å
227K98.6Very high98.1Very high167 Ų16762.1 Ų62.173%0.72629%0.293SS*.Hα-helixtrans-66.6-41.1177-178.9176.4179.6176.20113.1E223 F224 I225E223-K227 VanDerWaalsContact O-CB 3.26Å; E223-K227 WeakPolarHBondContact O-CB 3.34Å; E223-K227 PolarHBondContact O-N 3.35Å; F224-K227 PolarHBondContact O-N 3.22Å; I225-K227 VanDerWaalsContact C-N 3.33Å; I225-K227 PolarHBondContact O-N 2.94Å
228L98.5Very high98Very high48 Ų4866.1 Ų66.125%0.25131%0.312SS..Hα-helixtrans-85.1-26.8-176-68.4-178.8000113.3I117 A168 F224 I225 P230I117-L228 HydrophobicContact CD1-CB 4.2Å; I117-L228 HydrophobicContact CD1-CD1 4.21Å; A168-L228 HydrophobicContact CB-CD1 3.66Å; A168-L228 HydrophobicContact CB-CD2 3.89Å; A168-L228 HydrophobicContact CB-CG 4.41Å; F224-L228 HydrophobicContact CD1-CD1 3.94Å; F224-L228 HydrophobicContact CD2-CD1 4.24Å; F224-L228 HydrophobicContact CE1-CD1 3.4Å; F224-L228 HydrophobicContact CE2-CD1 3.75Å; F224-L228 HydrophobicContact CG-CD1 4.34Å; F224-L228 HydrophobicContact CZ-CD1 3.3Å; F224-L228 HydrophobicContact CZ-CG 4.49Å; F224-L228 WeakPolarHBondContact O-CG 3.45Å; F224-L228 PolarHBondContact O-N 3.33Å; F224-L228 VanDerWaalsContact O-N 3.12Å; I225-L228 PolarHBondContact O-N 3.27Å; L228-P230 VanDerWaalsContact O-CD 3.27Å; L228-P230 WeakPolarHBondContact O-CD 3.45Å
229L98.5Very high98Very high0 Ų069.7 Ų69.70%033%0.329CS..SBendtrans-118.666.8-179.9-56.6174.8000109A25 V27 Y51 V52 R115 I117 A140 I225 E226A25-L229 HydrophobicContact CB-CB 4.18Å; A25-L229 HydrophobicContact CB-CD1 3.89Å; A25-L229 HydrophobicContact CB-CD2 3.94Å; A25-L229 HydrophobicContact CB-CG 4.22Å; V27-L229 HydrophobicContact CG2-CD1 4.42Å; Y51-L229 WeakPolarHBondContact CE2-O 3.49Å; Y51-L229 PolarHBondContact OH-O 3.04Å; V52-L229 HydrophobicContact CG1-CD1 4.3Å; V52-L229 HydrophobicContact CG2-CB 4.46Å; V52-L229 HydrophobicContact CG2-CD1 4.39Å; R115-L229 HydrophobicContact CB-CD2 4.32Å; R115-L229 VanDerWaalsContact NH1-C 3.3Å; R115-L229 VanDerWaalsContact NH1-CA 3.33Å; R115-L229 WeakPolarHBondContact O-CD2 3.21Å; I117-L229 HydrophobicContact CD1-CD1 3.65Å; I117-L229 HydrophobicContact CD1-CG 3.9Å; I117-L229 HydrophobicContact CG1-CD1 3.93Å; I117-L229 HydrophobicContact CG1-CG 4.26Å; A140-L229 HydrophobicContact CB-CD2 3.88Å; I225-L229 HydrophobicContact CG2-CD1 4.04Å; I225-L229 WeakPolarHBondContact O-CB 3.18Å; I225-L229 PolarHBondContact O-N 3.08Å; E226-L229 CarbonylContact O-C 3.35Å
230P97.8Very high98Very high68 Ų6868.8 Ų68.844%0.44232%0.324SS..  trans-64.7160.4176.828.5-35.9000111.1R115 L228R115-P230 VanDerWaalsContact CZ-O 3.3Å; R115-P230 PolarHBondContact NH1-O 3.31Å; R115-P230 PolarHBondContact NH2-O 3.25Å; L228-P230 VanDerWaalsContact O-CD 3.27Å; L228-P230 WeakPolarHBondContact O-CD 3.45Å
231R96Very high97.9Very high158 Ų15874.2 Ų74.260%0.59635%0.347SS*.  trans-63.4136.8172.4-164172.4-172.71741.7110.2E21 Y51E21-R231 IonicContact OE1-CZ 2.74Å; E21-R231 IonicContact OE1-NH1 3.22Å; E21-R231 IonicContact OE1-NH2 3.87Å; E21-R231 PolarHBondContact OE1-NH2 2.91Å; E21-R231 IonicContact OE2-CZ 3.66Å; E21-R231 IonicContact OE2-NE 3.56Å; E21-R231 PolarHBondContact OE2-NE 2.87Å; E21-R231 IonicContact OE2-NH2 2.56Å; E21-R231 PolarHBondContact OE2-NH2 3.17Å; Y51-R231 HydrophobicContact CD1-CB 4.01Å; Y51-R231 HydrophobicContact CD1-CG 3.69Å; Y51-R231 HydrophobicContact CE1-CB 3.57Å; Y51-R231 HydrophobicContact CE1-CG 3.77Å; Y51-R231 HydrophobicContact CG-CG 4.36Å; Y51-R231 PolarHBondContact OH-N 2.94Å
232I92.9Very high97.8Very high166 Ų16680.7 Ų80.785%0.85138%0.378SS*.  trans-129.60176.863.8173.1000111.1T24T24-I232 HydrophobicContact CG2-CG1 4.14Å

Retrieved 232 of 232 residues in 108.5 ms (Link to these results)

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