A0A077Z9Q7_TRITR Loading...

BTB

AlphaFold DB , UniProt , Accession A0A077Z9Q7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 277 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
1M35.3Very low64.2Low228 Ų228116 Ų116100%1.12360%0.597SS**  099.10-139.7176.1-157.600106.7L3M1-L3 PolarHBondContact O-N 3.18Å
2F37.6Very low67Low216 Ų216106.3 Ų106.395%0.94755%0.547SS*.  trans-74.6104.8177.9-67-83.3000107.6N4F2-N4 PolarHBondContact O-N 3.24Å
3L41.6Very low69.3Low139 Ų13999.3 Ų99.373%0.72851%0.511SS*.  trans-67.3116.4168.7-68.5172.4000106.9M1 G5M1-L3 PolarHBondContact O-N 3.18Å; L3-G5 PolarHBondContact O-N 3.01Å; L3-G5 VanDerWaalsContact O-N 3.15Å
4N47Very low71.3Confident125 Ų12592.2 Ų92.267%0.66848%0.475SS*.  trans-45.6124.4168.1-101.2-12.4000107.9F2 Q6 D7F2-N4 PolarHBondContact O-N 3.24Å; N4-Q6 PolarHBondContact O-N 3.15Å; N4-D7 PolarHBondContact O-N 2.81Å
5G58.5Low73Confident47 Ų4788.6 Ų88.649%0.48547%0.469SS..G310 helixtrans-54.8-17.2-171.400000114.2L3 R23L3-G5 PolarHBondContact O-N 3.01Å; L3-G5 VanDerWaalsContact O-N 3.15Å; G5-R23 VanDerWaalsContact O-CD 3.32Å; G5-R23 WeakPolarHBondContact O-CD 3.32Å; G5-R23 PolarHBondContact O-NH1 2.68Å
6Q54.7Low74.4Confident132 Ų13286.2 Ų86.262%0.61747%0.472SS*.G310 helixtrans-71.2-32178-66.5-178.8-9.500113.9N4 A8 N24N4-Q6 PolarHBondContact O-N 3.15Å; Q6-A8 VanDerWaalsContact C-N 3.34Å; Q6-A8 PolarHBondContact O-N 3.34Å; Q6-N24 PolarHBondContact O-ND2 2.91Å; Q6-N24 PolarHBondContact O-OD1 3.37Å; Q6-N24 VanDerWaalsContact O-OD1 3.05Å
7D61.9Low75.8Confident105 Ų10584.8 Ų84.856%0.56147%0.467SS*.G310 helixtrans-95.713.9-178.3-64-37.1000113.4N4 I9 N24N4-D7 PolarHBondContact O-N 2.81Å; D7-I9 PolarHBondContact O-N 3.49Å; D7-N24 PolarHBondContact OD1-ND2 2.6Å
8A84.7Confident77Confident24 Ų2486.1 Ų86.120%0.19847%0.469CS..  trans-64.8131.4179.500000111.2Q6 R23Q6-A8 VanDerWaalsContact C-N 3.34Å; Q6-A8 PolarHBondContact O-N 3.34Å; A8-R23 PolarHBondContact O-N 3.31Å
9I93.5Very high78.1Confident126 Ų12682.9 Ų82.965%0.64645%0.45SS*.EExtended strand (participates in β ladder)trans-72.1128.4169-61.5176.5000108.4D7 T20D7-I9 PolarHBondContact O-N 3.49Å; I9-T20 HydrophobicContact CG2-CG2 3.38Å
10I95Very high79Confident16 Ų1682.8 Ų82.88%0.08245%0.452CS..EExtended strand (participates in β ladder)trans-109.7128176.7-54.5-58.4000108.6L12 T21 R23 L26 L38 I52I10-L12 HydrophobicContact CG2-CD2 3.78Å; I10-L12 HydrophobicContact CG2-CG 4.23Å; I10-T21 HydrophobicContact CB-CG2 4.48Å; I10-T21 PolarHBondContact N-O 3Å; I10-T21 PolarHBondContact O-N 3.45Å; I10-R23 HydrophobicContact CG1-CB 4.25Å; I10-L26 HydrophobicContact CB-CD1 4.19Å; I10-L26 HydrophobicContact CG1-CD1 4.42Å; I10-L26 HydrophobicContact CG2-CD1 3.94Å; I10-L38 HydrophobicContact CD1-CD2 4.01Å; I10-L38 HydrophobicContact CG1-CD2 4.25Å; I10-L38 HydrophobicContact CG2-CD2 4.19Å; I10-I52 HydrophobicContact CG2-CD1 4.3Å
11K96.3Very high79.8Confident118 Ų11879.3 Ų79.351%0.51343%0.434SS..EExtended strand (participates in β ladder)trans-101.6129.3172.6-61.2-177.5-178-178.70109.3A51 I52K11-A51 HydrophobicContact CB-CB 3.83Å; K11-I52 PolarHBondContact O-N 3.48Å
12L97.4Very high82.6Confident0 Ų070.3 Ų70.30%039%0.393CS..EExtended strand (participates in β ladder)trans-121.5143178.4-55174.9000109I10 V14 H18 F19 L26 I52 I54 F61I10-L12 HydrophobicContact CG2-CD2 3.78Å; I10-L12 HydrophobicContact CG2-CG 4.23Å; L12-V14 HydrophobicContact CB-CG2 4.16Å; L12-H18 CarbonylContact O-C 3.44Å; L12-H18 VanDerWaalsContact O-CA 3.31Å; L12-H18 WeakPolarHBondContact O-CA 3.35Å; L12-F19 HydrophobicContact CB-CB 4.34Å; L12-F19 PolarHBondContact N-O 3.05Å; L12-F19 PolarHBondContact O-N 2.97Å; L12-L26 HydrophobicContact CD1-CD1 4.2Å; L12-L26 HydrophobicContact CD1-CD2 4.49Å; L12-I52 CarbonylContact C-O 3.56Å; L12-I52 WeakPolarHBondContact CA-O 3.25Å; L12-I52 HydrophobicContact CD2-CB 3.99Å; L12-I52 HydrophobicContact CD2-CD1 4.41Å; L12-I54 HydrophobicContact CD1-CD1 4.41Å; L12-I54 HydrophobicContact CD2-CD1 4.22Å; L12-F61 HydrophobicContact CD1-CE1 4.06Å; L12-F61 HydrophobicContact CD1-CE2 4.45Å; L12-F61 HydrophobicContact CD1-CZ 3.49Å; L12-F61 VanDerWaalsContact CD1-CZ 3.49Å
13N97.6Very high85.3Confident15 Ų1563.4 Ų63.48%0.0836%0.361CS..EExtended strand (participates in β ladder)trans-114.2104166.9177.9-16.8000107.1G16 D47 A51 I52 F53 I54N13-G16 WeakPolarHBondContact OD1-CA 3.18Å; N13-G16 PolarHBondContact OD1-N 3.26Å; N13-D47 WeakPolarHBondContact CB-OD2 3.45Å; N13-D47 PolarHBondContact ND2-OD2 3.14Å; N13-A51 HydrophobicContact CB-CB 4.18Å; N13-I52 PolarHBondContact N-O 3.06Å; N13-F53 HydrophobicContact CB-CD2 4.25Å; N13-F53 CarbonylContact O-C 3.55Å; N13-F53 VanDerWaalsContact O-CA 3.32Å; N13-F53 WeakPolarHBondContact O-CA 3.39Å; N13-F53 WeakPolarHBondContact O-CD2 3.32Å; N13-I54 PolarHBondContact O-N 2.97Å
14V97.5Very high87.6Confident0 Ų059.9 Ų59.90%034%0.343CS..EExtended strand (participates in β ladder)trans-105.5110.3-177.7-1720000108.5L12 G16 T17 F19 I54 R56 P58 F61L12-V14 HydrophobicContact CB-CG2 4.16Å; V14-G16 PolarHBondContact O-N 3.29Å; V14-G16 VanDerWaalsContact O-N 3.1Å; V14-T17 PolarHBondContact N-O 3.36Å; V14-T17 PolarHBondContact O-N 3.39Å; V14-F19 HydrophobicContact CB-CD2 3.98Å; V14-F19 HydrophobicContact CB-CE2 3.85Å; V14-F19 HydrophobicContact CG2-CD2 3.78Å; V14-F19 HydrophobicContact CG2-CE2 4.13Å; V14-I54 CarbonylContact C-O 3.54Å; V14-I54 VanDerWaalsContact CA-O 3.31Å; V14-I54 WeakPolarHBondContact CA-O 3.47Å; V14-I54 HydrophobicContact CG1-CB 4.43Å; V14-I54 HydrophobicContact CG1-CG2 4.41Å; V14-I54 HydrophobicContact CG2-CB 4.2Å; V14-I54 HydrophobicContact CG2-CD1 4.26Å; V14-R56 HydrophobicContact CG1-CB 4.13Å; V14-P58 WeakPolarHBondContact O-CB 3.47Å; V14-F61 HydrophobicContact CB-CD1 4.22Å; V14-F61 HydrophobicContact CB-CG 4.31Å; V14-F61 HydrophobicContact CG1-CB 3.87Å; V14-F61 HydrophobicContact CG1-CD1 4.36Å; V14-F61 HydrophobicContact CG1-CD2 4.37Å; V14-F61 HydrophobicContact CG1-CG 3.94Å; V14-F61 HydrophobicContact CG2-CD1 3.67Å; V14-F61 HydrophobicContact CG2-CD2 4.24Å; V14-F61 HydrophobicContact CG2-CE1 3.73Å; V14-F61 HydrophobicContact CG2-CE2 4.28Å; V14-F61 HydrophobicContact CG2-CG 3.94Å; V14-F61 HydrophobicContact CG2-CZ 4.06Å
15G96.1Very high89.8Confident38 Ų3855 Ų5539%0.39232%0.318SS..THydrogen-bonded Turntrans54.330.7-179.600000114.3I54 R56G15-I54 PolarHBondContact N-O 2.94Å; G15-R56 WeakPolarHBondContact CA-O 3.25Å; G15-R56 PolarHBondContact N-O 3.32Å
16G95.5Very high91.4Very high50 Ų5052.8 Ų52.852%0.51530%0.295SS..THydrogen-bonded Turntrans93.3-6.2-176.900000115.3N13 V14N13-G16 WeakPolarHBondContact OD1-CA 3.18Å; N13-G16 PolarHBondContact OD1-N 3.26Å; V14-G16 PolarHBondContact O-N 3.29Å; V14-G16 VanDerWaalsContact O-N 3.1Å
17T97.9Very high93.1Very high63 Ų6348.9 Ų48.939%0.38728%0.28SS..EExtended strand (participates in β ladder)trans-101.6128.5177.6-55.50000111.2V14 F19 P58V14-T17 PolarHBondContact N-O 3.36Å; V14-T17 PolarHBondContact O-N 3.39Å; T17-F19 HydrophobicContact CG2-CD2 4.36Å; T17-F19 HydrophobicContact CG2-CE2 3.65Å; T17-F19 HydrophobicContact CG2-CZ 3.86Å; T17-F19 VanDerWaalsContact O-CD2 3.25Å; T17-F19 WeakPolarHBondContact O-CD2 3.38Å; T17-F19 WeakPolarHBondContact O-CE2 3.27Å; T17-P58 HydrophobicContact CG2-CB 4.24Å; T17-P58 WeakPolarHBondContact OG1-CB 3.44Å
18H97.4Very high94.1Very high108 Ų10849 Ų4950%0.527%0.272SS..EExtended strand (participates in β ladder)trans-82.1128.2179.6-65.680.1000112.6L12 D47L12-H18 CarbonylContact O-C 3.44Å; L12-H18 VanDerWaalsContact O-CA 3.31Å; L12-H18 WeakPolarHBondContact O-CA 3.35Å; H18-D47 IonicContact CD2-OD2 3.69Å; H18-D47 IonicContact CE1-OD2 2.93Å; H18-D47 IonicContact NE2-OD2 2.82Å; H18-D47 PolarHBondContact NE2-OD2 3.34Å
19F97.9Very high93.8Very high25 Ų2548.9 Ų48.911%0.1127%0.268CS..EExtended strand (participates in β ladder)trans-118.7143.3172.3-63.7-95000109.9L12 V14 T17 P58 F61 H62 L65L12-F19 HydrophobicContact CB-CB 4.34Å; L12-F19 PolarHBondContact N-O 3.05Å; L12-F19 PolarHBondContact O-N 2.97Å; V14-F19 HydrophobicContact CB-CD2 3.98Å; V14-F19 HydrophobicContact CB-CE2 3.85Å; V14-F19 HydrophobicContact CG2-CD2 3.78Å; V14-F19 HydrophobicContact CG2-CE2 4.13Å; T17-F19 HydrophobicContact CG2-CD2 4.36Å; T17-F19 HydrophobicContact CG2-CE2 3.65Å; T17-F19 HydrophobicContact CG2-CZ 3.86Å; T17-F19 VanDerWaalsContact O-CD2 3.25Å; T17-F19 WeakPolarHBondContact O-CD2 3.38Å; T17-F19 WeakPolarHBondContact O-CE2 3.27Å; F19-P58 HydrophobicContact CE2-CB 3.95Å; F19-P58 HydrophobicContact CZ-CB 4.07Å; F19-P58 WeakPolarHBondContact CZ-O 3.4Å; F19-F61 HydrophobicContact CB-CE1 3.98Å; F19-F61 AromaticContact CD1-CD1 3.93Å; F19-F61 HydrophobicContact CD1-CD1 3.93Å; F19-F61 AromaticContact CD1-CE1 3.98Å; F19-F61 HydrophobicContact CD1-CE1 3.98Å; F19-F61 AromaticContact CD2-CD1 3.71Å; F19-F61 HydrophobicContact CD2-CD1 3.71Å; F19-F61 AromaticContact CD2-CE1 3.85Å; F19-F61 HydrophobicContact CD2-CE1 3.85Å; F19-F61 AromaticContact CE1-CD1 3.93Å; F19-F61 HydrophobicContact CE1-CD1 3.93Å; F19-F61 HydrophobicContact CE1-CE1 4.45Å; F19-F61 AromaticContact CE2-CD1 3.72Å; F19-F61 HydrophobicContact CE2-CD1 3.72Å; F19-F61 HydrophobicContact CE2-CE1 4.34Å; F19-F61 AromaticContact CG-CD1 3.82Å; F19-F61 HydrophobicContact CG-CD1 3.82Å; F19-F61 AromaticContact CG-CE1 3.66Å; F19-F61 HydrophobicContact CG-CE1 3.66Å; F19-F61 AromaticContact CZ-CD1 3.84Å; F19-F61 HydrophobicContact CZ-CD1 3.84Å; F19-H62 HydrophobicContact CE1-CB 4.2Å; F19-L65 HydrophobicContact CB-CD2 4.3Å; F19-L65 HydrophobicContact CD1-CD2 3.89Å; F19-L65 HydrophobicContact CG-CD2 4.45Å
20T96.7Very high93.3Very high80 Ų8047.2 Ų47.249%0.49127%0.266SS..EExtended strand (participates in β ladder)trans-122.4132.7173.4-590000109.5I9 R69I9-T20 HydrophobicContact CG2-CG2 3.38Å; T20-R69 PolarHBondContact O-NH2 2.77Å
21T95.9Very high92.7Very high11 Ų1152.9 Ų52.97%0.06730%0.296CS..EExtended strand (participates in β ladder)trans-153.8176-179.2-165.40000111.3I10 T25 L26 L65I10-T21 HydrophobicContact CB-CG2 4.48Å; I10-T21 PolarHBondContact N-O 3Å; I10-T21 PolarHBondContact O-N 3.45Å; T21-T25 WeakPolarHBondContact OG1-CB 3.4Å; T21-L26 HydrophobicContact CG2-CD1 3.64Å; T21-L26 HydrophobicContact CG2-CD2 3.92Å; T21-L26 HydrophobicContact CG2-CG 3.6Å; T21-L65 HydrophobicContact CG2-CD1 4.17Å
22S93.9Very high92.4Very high39 Ų3947.5 Ų47.527%0.27327%0.273SS..EExtended strand (participates in β ladder)trans-93.4152.6174.764.70000111.8N24 T25 L26S22-N24 PolarHBondContact O-N 3.18Å; S22-T25 WeakPolarHBondContact O-CB 3.28Å; S22-T25 PolarHBondContact O-N 2.96Å; S22-T25 VanDerWaalsContact O-N 3.12Å; S22-T25 PolarHBondContact OG-N 3.11Å; S22-T25 PolarHBondContact OG-OG1 3.41Å; S22-L26 PolarHBondContact O-N 2.69Å
23R93.3Very high92.1Very high71 Ų7149.2 Ų49.227%0.26828%0.281SS..Hα-helixtrans-52.5-46.4169.5173.8172.4-79.4109.6-1.5110.6G5 A8 I10 T25 L26 T27 L38G5-R23 VanDerWaalsContact O-CD 3.32Å; G5-R23 WeakPolarHBondContact O-CD 3.32Å; G5-R23 PolarHBondContact O-NH1 2.68Å; A8-R23 PolarHBondContact O-N 3.31Å; I10-R23 HydrophobicContact CG1-CB 4.25Å; R23-T25 VanDerWaalsContact C-N 3.25Å; R23-T25 PolarHBondContact O-N 3.03Å; R23-L26 PolarHBondContact O-N 2.94Å; R23-T27 HydrophobicContact CG-CG2 3.88Å; R23-T27 PolarHBondContact O-N 3.13Å; R23-T27 PolarHBondContact O-OG1 3.22Å; R23-L38 HydrophobicContact CG-CD1 4.21Å
24N91.6Very high91.9Very high65 Ų6548.5 Ų48.535%0.34828%0.277SS..Hα-helixtrans-53.5-38.4177.7-70-19.8000113.8Q6 D7 S22 W28Q6-N24 PolarHBondContact O-ND2 2.91Å; Q6-N24 PolarHBondContact O-OD1 3.37Å; Q6-N24 VanDerWaalsContact O-OD1 3.05Å; D7-N24 PolarHBondContact OD1-ND2 2.6Å; S22-N24 PolarHBondContact O-N 3.18Å; N24-W28 WeakPolarHBondContact O-CB 3.42Å; N24-W28 PolarHBondContact O-N 3.47Å; N24-W28 VanDerWaalsContact O-N 3.13Å
25T92.1Very high91.6Very high22 Ų2249.5 Ų49.514%0.13528%0.283CS..Hα-helixtrans-64.2-45.9176.7-59.70000111.1T21 S22 R23 L65 M68 R69T21-T25 WeakPolarHBondContact OG1-CB 3.4Å; S22-T25 WeakPolarHBondContact O-CB 3.28Å; S22-T25 PolarHBondContact O-N 2.96Å; S22-T25 VanDerWaalsContact O-N 3.12Å; S22-T25 PolarHBondContact OG-N 3.11Å; S22-T25 PolarHBondContact OG-OG1 3.41Å; R23-T25 VanDerWaalsContact C-N 3.25Å; R23-T25 PolarHBondContact O-N 3.03Å; T25-L65 HydrophobicContact CG2-CD1 4.11Å; T25-M68 HydrophobicContact CG2-CB 3.81Å; T25-R69 HydrophobicContact CG2-CG 3.61Å
26L93.1Very high91.3Very high1 Ų149 Ų491%0.00527%0.273CS..Hα-helixtrans-75.8-26.2-176.3-67.2-178.2000113.4I10 L12 T21 S22 R23 F34 L38 L65 M68I10-L26 HydrophobicContact CB-CD1 4.19Å; I10-L26 HydrophobicContact CG1-CD1 4.42Å; I10-L26 HydrophobicContact CG2-CD1 3.94Å; L12-L26 HydrophobicContact CD1-CD1 4.2Å; L12-L26 HydrophobicContact CD1-CD2 4.49Å; T21-L26 HydrophobicContact CG2-CD1 3.64Å; T21-L26 HydrophobicContact CG2-CD2 3.92Å; T21-L26 HydrophobicContact CG2-CG 3.6Å; S22-L26 PolarHBondContact O-N 2.69Å; R23-L26 PolarHBondContact O-N 2.94Å; L26-F34 HydrophobicContact CB-CB 3.95Å; L26-F34 HydrophobicContact CB-CG 4.33Å; L26-F34 HydrophobicContact CD2-CB 4.5Å; L26-F34 HydrophobicContact CD2-CD1 3.92Å; L26-F34 HydrophobicContact CD2-CD2 4.3Å; L26-F34 HydrophobicContact CD2-CE1 4.24Å; L26-F34 HydrophobicContact CD2-CG 3.97Å; L26-F34 WeakPolarHBondContact O-CB 3.29Å; L26-L38 HydrophobicContact CB-CD1 3.8Å; L26-L38 HydrophobicContact CD1-CD1 4Å; L26-L65 HydrophobicContact CD2-CD1 4.3Å; L26-M68 HydrophobicContact CD2-CE 3.49Å; L26-M68 VanDerWaalsContact CD2-CE 3.49Å; L26-M68 HydrophobicContact CD2-SD 4.18Å
27T89.1Confident91.1Very high49 Ų4947.1 Ų47.130%0.30125%0.251SS..Hα-helixtrans-103.72.5-176.861.80000114.1R23 I29 T35 L38R23-T27 HydrophobicContact CG-CG2 3.88Å; R23-T27 PolarHBondContact O-N 3.13Å; R23-T27 PolarHBondContact O-OG1 3.22Å; T27-I29 VanDerWaalsContact C-N 3.3Å; T27-I29 PolarHBondContact O-N 3.14Å; T27-T35 HydrophobicContact CG2-CG2 4.35Å; T27-L38 HydrophobicContact CG2-CD1 3.75Å
28W83.2Confident90.8Very high107 Ų10745.5 Ų45.541%0.40524%0.24SC..SBendtrans-61.1-38.4179.2153.667.6000112.4N24 Y67 K71N24-W28 WeakPolarHBondContact O-CB 3.42Å; N24-W28 PolarHBondContact O-N 3.47Å; N24-W28 VanDerWaalsContact O-N 3.13Å; W28-Y67 HydrophobicContact CH2-CE1 4.31Å; W28-Y67 HydrophobicContact CZ3-CE1 4.14Å; W28-K71 HydrophobicContact CD2-CD 4.02Å; W28-K71 VanDerWaalsContact CD2-CE 3.46Å; W28-K71 HydrophobicContact CE3-CD 3.9Å; W28-K71 HydrophobicContact CH2-CD 3.46Å; W28-K71 VanDerWaalsContact CH2-CD 3.46Å; W28-K71 HydrophobicContact CZ2-CD 3.54Å; W28-K71 HydrophobicContact CZ3-CD 3.58Å
29I79.7Confident90.4Very high23 Ų2343.4 Ų43.412%0.11824%0.238CC..SBendtrans-89.4118.7171.1-47.9-177.3000107.7T27 T32 T35 Y67 I92T27-I29 VanDerWaalsContact C-N 3.3Å; T27-I29 PolarHBondContact O-N 3.14Å; I29-T32 HydrophobicContact CB-CG2 3.6Å; I29-T32 HydrophobicContact CG2-CG2 3.55Å; I29-T32 WeakPolarHBondContact O-CG2 3.41Å; I29-T32 PolarHBondContact O-OG1 3.07Å; I29-T35 VanDerWaalsContact O-CG2 3.27Å; I29-T35 WeakPolarHBondContact O-CG2 3.32Å; I29-Y67 HydrophobicContact CD1-CE1 3.98Å; I29-I92 HydrophobicContact CD1-CG2 3.84Å
30P81.6Confident89.9Confident91 Ų9145.1 Ų45.159%0.59126%0.262SS*.THydrogen-bonded Turntrans-66.2159175.229.4-34.6000111.2T32P30-T32 PolarHBondContact O-N 3.01Å; P30-T32 VanDerWaalsContact O-N 3.14Å
31D83.8Confident89.4Confident135 Ų13550 Ų5072%0.72227%0.272SS*.THydrogen-bonded Turntrans56.930.3171.7-52.9-42.4000115.5T35D31-T35 PolarHBondContact N-OG1 3.13Å
32T88.5Confident88.9Confident4 Ų452.5 Ų52.53%0.02528%0.284CS..SBendtrans-92.7168.4172.260.10000112.4I29 P30 F34 T35 S36 Y90 I92I29-T32 HydrophobicContact CB-CG2 3.6Å; I29-T32 HydrophobicContact CG2-CG2 3.55Å; I29-T32 WeakPolarHBondContact O-CG2 3.41Å; I29-T32 PolarHBondContact O-OG1 3.07Å; P30-T32 PolarHBondContact O-N 3.01Å; P30-T32 VanDerWaalsContact O-N 3.14Å; T32-F34 PolarHBondContact O-N 2.99Å; T32-T35 PolarHBondContact N-OG1 2.8Å; T32-T35 PolarHBondContact O-N 2.89Å; T32-T35 PolarHBondContact O-OG1 3.48Å; T32-T35 PolarHBondContact OG1-N 3.47Å; T32-S36 PolarHBondContact O-N 3.43Å; T32-S36 VanDerWaalsContact O-N 3.14Å; T32-S36 PolarHBondContact O-OG 3.01Å; T32-Y90 WeakPolarHBondContact CB-O 3.44Å; T32-I92 HydrophobicContact CG2-CG1 4.45Å
33F92.8Very high88.4Confident37 Ų3756.6 Ų56.616%0.16231%0.31CS..Hα-helixtrans-47.3-46.9167.7172-96.4000111.3T35 S36 L37 I42 I54 F89 Y90F33-T35 PolarHBondContact O-N 3.34Å; F33-S36 PolarHBondContact O-N 2.84Å; F33-L37 HydrophobicContact CE1-CB 4.47Å; F33-L37 HydrophobicContact CE1-CD1 4.05Å; F33-L37 HydrophobicContact CE1-CD2 3.89Å; F33-L37 HydrophobicContact CE1-CG 4.39Å; F33-L37 HydrophobicContact CE2-CD1 4.48Å; F33-L37 HydrophobicContact CZ-CD1 3.79Å; F33-L37 HydrophobicContact CZ-CD2 4.46Å; F33-L37 VanDerWaalsContact O-CB 3.29Å; F33-L37 WeakPolarHBondContact O-CB 3.31Å; F33-L37 PolarHBondContact O-N 3.37Å; F33-I42 HydrophobicContact CD2-CD1 4.33Å; F33-I54 HydrophobicContact CE1-CD1 3.98Å; F33-I54 HydrophobicContact CE1-CG1 4.34Å; F33-F89 HydrophobicContact CD2-CE1 4.35Å; F33-F89 HydrophobicContact CD2-CZ 4.48Å; F33-F89 HydrophobicContact CE2-CE1 4.16Å; F33-F89 HydrophobicContact CE2-CZ 4.06Å; F33-F89 HydrophobicContact CZ-CE1 4.25Å; F33-F89 HydrophobicContact CZ-CZ 4.36Å; F33-Y90 HydrophobicContact CB-CD1 4.39Å; F33-Y90 VanDerWaalsContact CB-O 3.28Å; F33-Y90 WeakPolarHBondContact CB-O 3.36Å; F33-Y90 AromaticContact CD1-CD1 3.75Å; F33-Y90 HydrophobicContact CD1-CD1 3.75Å; F33-Y90 HydrophobicContact CD1-CE1 4.28Å; F33-Y90 HydrophobicContact CE1-CD1 4.31Å; F33-Y90 HydrophobicContact CE1-CE1 4.39Å; F33-Y90 HydrophobicContact CG-CD1 4.2Å; F33-Y90 PolarHBondContact N-O 3.2Å
34F93.4Very high88.1Confident0 Ų056.1 Ų56.10%032%0.315CS..Hα-helixtrans-68.6-36-176.8-54.5-69.1000113.4L26 T32 S36 L37 L38 I54 F61 M68 Y90 I92L26-F34 HydrophobicContact CB-CB 3.95Å; L26-F34 HydrophobicContact CB-CG 4.33Å; L26-F34 HydrophobicContact CD2-CB 4.5Å; L26-F34 HydrophobicContact CD2-CD1 3.92Å; L26-F34 HydrophobicContact CD2-CD2 4.3Å; L26-F34 HydrophobicContact CD2-CE1 4.24Å; L26-F34 HydrophobicContact CD2-CG 3.97Å; L26-F34 WeakPolarHBondContact O-CB 3.29Å; T32-F34 PolarHBondContact O-N 2.99Å; F34-S36 VanDerWaalsContact C-N 3.29Å; F34-S36 PolarHBondContact O-N 3.21Å; F34-L37 HydrophobicContact CD1-CD2 4.46Å; F34-L37 PolarHBondContact O-N 2.86Å; F34-L38 VanDerWaalsContact O-CB 3.32Å; F34-L38 WeakPolarHBondContact O-CB 3.42Å; F34-L38 VanDerWaalsContact O-CG 3.28Å; F34-L38 WeakPolarHBondContact O-CG 3.48Å; F34-L38 PolarHBondContact O-N 2.94Å; F34-I54 HydrophobicContact CE1-CD1 4.22Å; F34-F61 AromaticContact CE1-CE2 3.82Å; F34-F61 HydrophobicContact CE1-CE2 3.82Å; F34-F61 HydrophobicContact CE1-CZ 4.37Å; F34-F61 AromaticContact CZ-CE2 3.63Å; F34-F61 HydrophobicContact CZ-CE2 3.63Å; F34-F61 HydrophobicContact CZ-CZ 4.44Å; F34-M68 HydrophobicContact CD2-CE 4.05Å; F34-M68 HydrophobicContact CD2-SD 3.71Å; F34-M68 HydrophobicContact CE2-CE 3.57Å; F34-M68 HydrophobicContact CE2-SD 3.65Å; F34-M68 HydrophobicContact CZ-CE 3.98Å; F34-Y90 AromaticContact CE1-CD1 3.86Å; F34-Y90 HydrophobicContact CE1-CD1 3.86Å; F34-Y90 HydrophobicContact CE1-CE1 4.08Å; F34-Y90 AromaticContact CE2-CD1 3.85Å; F34-Y90 HydrophobicContact CE2-CD1 3.85Å; F34-Y90 AromaticContact CE2-CG 3.96Å; F34-Y90 HydrophobicContact CE2-CG 3.96Å; F34-Y90 AromaticContact CZ-CD1 3.24Å; F34-Y90 HydrophobicContact CZ-CD1 3.24Å; F34-Y90 HydrophobicContact CZ-CD2 4.5Å; F34-Y90 AromaticContact CZ-CE1 3.71Å; F34-Y90 HydrophobicContact CZ-CE1 3.71Å; F34-Y90 AromaticContact CZ-CG 3.71Å; F34-Y90 HydrophobicContact CZ-CG 3.71Å; F34-I92 HydrophobicContact CE2-CD1 4.27Å
35T89.5Confident88.1Confident21 Ų2159 Ų5913%0.12933%0.329CS..Hα-helixtrans-64.3-37.7174.360.60000111.5T27 I29 D31 T32 F33 S39T27-T35 HydrophobicContact CG2-CG2 4.35Å; I29-T35 VanDerWaalsContact O-CG2 3.27Å; I29-T35 WeakPolarHBondContact O-CG2 3.32Å; D31-T35 PolarHBondContact N-OG1 3.13Å; T32-T35 PolarHBondContact N-OG1 2.8Å; T32-T35 PolarHBondContact O-N 2.89Å; T32-T35 PolarHBondContact O-OG1 3.48Å; T32-T35 PolarHBondContact OG1-N 3.47Å; F33-T35 PolarHBondContact O-N 3.34Å; T35-S39 VanDerWaalsContact O-CB 3.25Å; T35-S39 WeakPolarHBondContact O-CB 3.43Å; T35-S39 PolarHBondContact O-N 3.37Å; T35-S39 PolarHBondContact O-OG 2.96Å
36S90Very high88.2Confident27 Ų2764.6 Ų64.619%0.18935%0.352CS..Hα-helixtrans-71.9-38.6175.7-61.20000112.2T32 F33 F34 S39 G40 R41 I42T32-S36 PolarHBondContact O-N 3.43Å; T32-S36 VanDerWaalsContact O-N 3.14Å; T32-S36 PolarHBondContact O-OG 3.01Å; F33-S36 PolarHBondContact O-N 2.84Å; F34-S36 VanDerWaalsContact C-N 3.29Å; F34-S36 PolarHBondContact O-N 3.21Å; S36-S39 WeakPolarHBondContact CA-OG 3.28Å; S36-S39 PolarHBondContact O-OG 2.85Å; S36-S39 VanDerWaalsContact O-OG 3.13Å; S36-G40 PolarHBondContact O-N 2.82Å; S36-R41 PolarHBondContact O-N 2.8Å; S36-I42 VanDerWaalsContact CB-CD1 3.41Å; S36-I42 PolarHBondContact O-N 3.12Å
37L92.3Very high88.3Confident10 Ų1066.2 Ų66.25%0.05236%0.36CS..Hα-helixtrans-60.9-49.9174.6-166.779.4000111.5F33 F34 G40 T44 I52 I54F33-L37 HydrophobicContact CE1-CB 4.47Å; F33-L37 HydrophobicContact CE1-CD1 4.05Å; F33-L37 HydrophobicContact CE1-CD2 3.89Å; F33-L37 HydrophobicContact CE1-CG 4.39Å; F33-L37 HydrophobicContact CE2-CD1 4.48Å; F33-L37 HydrophobicContact CZ-CD1 3.79Å; F33-L37 HydrophobicContact CZ-CD2 4.46Å; F33-L37 VanDerWaalsContact O-CB 3.29Å; F33-L37 WeakPolarHBondContact O-CB 3.31Å; F33-L37 PolarHBondContact O-N 3.37Å; F34-L37 HydrophobicContact CD1-CD2 4.46Å; F34-L37 PolarHBondContact O-N 2.86Å; L37-G40 PolarHBondContact O-N 2.81Å; L37-T44 HydrophobicContact CD1-CG2 3.56Å; L37-T44 HydrophobicContact CG-CG2 3.92Å; L37-I52 HydrophobicContact CD1-CG2 4.29Å; L37-I52 HydrophobicContact CD2-CG2 3.99Å; L37-I52 HydrophobicContact CG-CG2 4.34Å; L37-I54 HydrophobicContact CD2-CD1 4.4Å
38L91.4Very high88.6Confident30 Ų3072.5 Ų72.516%0.15739%0.392CS..Hα-helixtrans-80-18-175.1-65.8177.8000113.9I10 R23 L26 T27 F34 G40 I52I10-L38 HydrophobicContact CD1-CD2 4.01Å; I10-L38 HydrophobicContact CG1-CD2 4.25Å; I10-L38 HydrophobicContact CG2-CD2 4.19Å; R23-L38 HydrophobicContact CG-CD1 4.21Å; L26-L38 HydrophobicContact CB-CD1 3.8Å; L26-L38 HydrophobicContact CD1-CD1 4Å; T27-L38 HydrophobicContact CG2-CD1 3.75Å; F34-L38 VanDerWaalsContact O-CB 3.32Å; F34-L38 WeakPolarHBondContact O-CB 3.42Å; F34-L38 VanDerWaalsContact O-CG 3.28Å; F34-L38 WeakPolarHBondContact O-CG 3.48Å; F34-L38 PolarHBondContact O-N 2.94Å; L38-G40 VanDerWaalsContact C-N 3.3Å; L38-I52 HydrophobicContact CD2-CD1 4.27Å
39S88.6Confident89.1Confident63 Ų6370.7 Ų70.744%0.44140%0.396SS..THydrogen-bonded Turntrans-84.8-3.9170.556.20000113.1T35 S36 R41T35-S39 VanDerWaalsContact O-CB 3.25Å; T35-S39 WeakPolarHBondContact O-CB 3.43Å; T35-S39 PolarHBondContact O-N 3.37Å; T35-S39 PolarHBondContact O-OG 2.96Å; S36-S39 WeakPolarHBondContact CA-OG 3.28Å; S36-S39 PolarHBondContact O-OG 2.85Å; S36-S39 VanDerWaalsContact O-OG 3.13Å; S39-R41 VanDerWaalsContact C-N 3.26Å; S39-R41 PolarHBondContact O-N 2.85Å; S39-R41 WeakPolarHBondContact OG-CG 3.46Å
40G86.9Confident89.7Confident61 Ų6171.5 Ų71.563%0.62941%0.41SS*.THydrogen-bonded Turntrans74.713.2-178.400000114.1S36 L37 L38 I42S36-G40 PolarHBondContact O-N 2.82Å; L37-G40 PolarHBondContact O-N 2.81Å; L38-G40 VanDerWaalsContact C-N 3.3Å; G40-I42 VanDerWaalsContact C-N 3.26Å; G40-I42 PolarHBondContact O-N 2.82Å
41R86.1Confident90.4Very high184 Ų18467.1 Ų67.169%0.69438%0.382SS*.SBendtrans-72-22.5176.2-67.5177.6-170.8164.51.7112.6S36 S39S36-R41 PolarHBondContact O-N 2.8Å; S39-R41 VanDerWaalsContact C-N 3.26Å; S39-R41 PolarHBondContact O-N 2.85Å; S39-R41 WeakPolarHBondContact OG-CG 3.46Å
42I85.8Confident90.9Very high63 Ų6361.7 Ų61.732%0.32335%0.353SS..SBendtrans-117.3134.9179.1-57.6173.3000108.3F33 S36 G40 T44F33-I42 HydrophobicContact CD2-CD1 4.33Å; S36-I42 VanDerWaalsContact CB-CD1 3.41Å; S36-I42 PolarHBondContact O-N 3.12Å; G40-I42 VanDerWaalsContact C-N 3.26Å; G40-I42 PolarHBondContact O-N 2.82Å; I42-T44 PolarHBondContact O-N 3.34Å
43P83.8Confident91.3Very high125 Ų12564.9 Ų64.981%0.81237%0.366SS*.  trans-56.3133.2174-23.833.3000111.9
44T86.8Confident91.5Very high61 Ų6163.4 Ų63.437%0.37436%0.36SS..  trans-112.3124.6177.158.20000110.6L37 I42 I52L37-T44 HydrophobicContact CD1-CG2 3.56Å; L37-T44 HydrophobicContact CG-CG2 3.92Å; I42-T44 PolarHBondContact O-N 3.34Å; T44-I52 HydrophobicContact CG2-CG2 3.98Å
45L92.5Very high91.6Very high125 Ų12569.7 Ų69.765%0.65439%0.393SS*.  trans-80.3148.5161.2-64.7175.9000109F53L45-F53 HydrophobicContact CB-CB 4.2Å; L45-F53 PolarHBondContact O-N 3.01Å
46K94.4Very high91.9Very high139 Ų13972 Ų7260%0.60440%0.4SS*.BIsolated β-bridgetrans-124.7145.2172.2-67.2-179179.5-179.70109.3A51K46-A51 CarbonylContact C-O 3.6Å; K46-A51 WeakPolarHBondContact CA-O 3.43Å
47D94.5Very high92.1Very high35 Ų3573.8 Ų73.819%0.18741%0.407CS..  trans-79.4178.3169.370.211.7000111.5N13 H18 S49 G50 A51N13-D47 WeakPolarHBondContact CB-OD2 3.45Å; N13-D47 PolarHBondContact ND2-OD2 3.14Å; H18-D47 IonicContact CD2-OD2 3.69Å; H18-D47 IonicContact CE1-OD2 2.93Å; H18-D47 IonicContact NE2-OD2 2.82Å; H18-D47 PolarHBondContact NE2-OD2 3.34Å; D47-S49 PolarHBondContact O-N 2.75Å; D47-S49 VanDerWaalsContact O-N 3.11Å; D47-S49 WeakPolarHBondContact OD1-CA 3.41Å; D47-S49 WeakPolarHBondContact OD1-CB 3.34Å; D47-S49 PolarHBondContact OD1-N 2.97Å; D47-S49 PolarHBondContact OD1-OG 3.25Å; D47-S49 PolarHBondContact OD2-OG 3.17Å; D47-G50 PolarHBondContact O-N 3.44Å; D47-G50 PolarHBondContact OD1-N 2.73Å; D47-A51 PolarHBondContact N-O 2.84Å; D47-A51 WeakPolarHBondContact OD1-CB 3.31Å; D47-A51 PolarHBondContact OD1-N 2.92Å
48D94.2Very high92.3Very high181 Ų18174.7 Ų74.797%0.96841%0.414SS*.THydrogen-bonded Turntrans-61-20.8-179.5-59.1-29.3000113.3G50D48-G50 VanDerWaalsContact C-N 3.3Å
49S93.9Very high92.4Very high69 Ų6981.4 Ų81.448%0.48344%0.441SS..THydrogen-bonded Turntrans-84.2-6176.183.20000113.3D47 A51D47-S49 PolarHBondContact O-N 2.75Å; D47-S49 VanDerWaalsContact O-N 3.11Å; D47-S49 WeakPolarHBondContact OD1-CA 3.41Å; D47-S49 WeakPolarHBondContact OD1-CB 3.34Å; D47-S49 PolarHBondContact OD1-N 2.97Å; D47-S49 PolarHBondContact OD1-OG 3.25Å; D47-S49 PolarHBondContact OD2-OG 3.17Å; S49-A51 VanDerWaalsContact C-N 3.35Å
50G93.1Very high92.5Very high40 Ų4079.3 Ų79.341%0.41243%0.425SS..SBendtrans80.69.9-174.100000114.3D47 D48D47-G50 PolarHBondContact O-N 3.44Å; D47-G50 PolarHBondContact OD1-N 2.73Å; D48-G50 VanDerWaalsContact C-N 3.3Å
51A95.5Very high92.9Very high0 Ų076.4 Ų76.40%040%0.395CS..PPolyproline II helixtrans-77.7141.5176.700000110.7K11 N13 K46 D47 S49 F53K11-A51 HydrophobicContact CB-CB 3.83Å; N13-A51 HydrophobicContact CB-CB 4.18Å; K46-A51 CarbonylContact C-O 3.6Å; K46-A51 WeakPolarHBondContact CA-O 3.43Å; D47-A51 PolarHBondContact N-O 2.84Å; D47-A51 WeakPolarHBondContact OD1-CB 3.31Å; D47-A51 PolarHBondContact OD1-N 2.92Å; S49-A51 VanDerWaalsContact C-N 3.35Å; A51-F53 PolarHBondContact O-N 3.34Å
52I95.6Very high93.2Very high21 Ų2171.9 Ų71.911%0.10838%0.382CS..EExtended strand (participates in β ladder)trans-71.7120.8-179.9-58.3167.4000109I10 K11 L12 N13 L37 L38 T44I10-I52 HydrophobicContact CG2-CD1 4.3Å; K11-I52 PolarHBondContact O-N 3.48Å; L12-I52 CarbonylContact C-O 3.56Å; L12-I52 WeakPolarHBondContact CA-O 3.25Å; L12-I52 HydrophobicContact CD2-CB 3.99Å; L12-I52 HydrophobicContact CD2-CD1 4.41Å; N13-I52 PolarHBondContact N-O 3.06Å; L37-I52 HydrophobicContact CD1-CG2 4.29Å; L37-I52 HydrophobicContact CD2-CG2 3.99Å; L37-I52 HydrophobicContact CG-CG2 4.34Å; L38-I52 HydrophobicContact CD2-CD1 4.27Å; T44-I52 HydrophobicContact CG2-CG2 3.98Å
53F96.8Very high93.3Very high71 Ų7170.3 Ų70.331%0.31137%0.374SS..EExtended strand (participates in β ladder)trans-81135-179-178.5-108.9000111.8N13 L45 A51 D55N13-F53 HydrophobicContact CB-CD2 4.25Å; N13-F53 CarbonylContact O-C 3.55Å; N13-F53 VanDerWaalsContact O-CA 3.32Å; N13-F53 WeakPolarHBondContact O-CA 3.39Å; N13-F53 WeakPolarHBondContact O-CD2 3.32Å; L45-F53 HydrophobicContact CB-CB 4.2Å; L45-F53 PolarHBondContact O-N 3.01Å; A51-F53 PolarHBondContact O-N 3.34Å; F53-D55 HydrophobicContact CE1-CB 3.8Å; F53-D55 HydrophobicContact CZ-CB 4.05Å
54I95.9Very high93.5Very high6 Ų664.4 Ų64.43%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-133.5116.1176.6-58.2174.6000107.7L12 N13 V14 G15 F33 F34 L37 R56 F89 Y90L12-I54 HydrophobicContact CD1-CD1 4.41Å; L12-I54 HydrophobicContact CD2-CD1 4.22Å; N13-I54 PolarHBondContact O-N 2.97Å; V14-I54 CarbonylContact C-O 3.54Å; V14-I54 VanDerWaalsContact CA-O 3.31Å; V14-I54 WeakPolarHBondContact CA-O 3.47Å; V14-I54 HydrophobicContact CG1-CB 4.43Å; V14-I54 HydrophobicContact CG1-CG2 4.41Å; V14-I54 HydrophobicContact CG2-CB 4.2Å; V14-I54 HydrophobicContact CG2-CD1 4.26Å; G15-I54 PolarHBondContact N-O 2.94Å; F33-I54 HydrophobicContact CE1-CD1 3.98Å; F33-I54 HydrophobicContact CE1-CG1 4.34Å; F34-I54 HydrophobicContact CE1-CD1 4.22Å; L37-I54 HydrophobicContact CD2-CD1 4.4Å; I54-R56 VanDerWaalsContact C-N 3.31Å; I54-R56 HydrophobicContact CG2-CB 4.06Å; I54-R56 HydrophobicContact CG2-CG 3.69Å; I54-R56 PolarHBondContact O-N 2.8Å; I54-F89 HydrophobicContact CG2-CE1 4.33Å; I54-Y90 HydrophobicContact CG2-CE1 4.16Å
55D95.4Very high93.8Very high131 Ų13161.5 Ų61.570%0.70132%0.317SS*.  trans-82.170.9-177.7-170.123.8000111.9F53F53-D55 HydrophobicContact CE1-CB 3.8Å; F53-D55 HydrophobicContact CZ-CB 4.05Å
56R95.7Very high93.6Very high71 Ų7158.1 Ų58.127%0.26830%0.3SS..SBendtrans-144171.1-176.8-62.5-60-67.7-177.8-1.6111.8V14 G15 I54 P58 E86 F89 Y90V14-R56 HydrophobicContact CG1-CB 4.13Å; G15-R56 WeakPolarHBondContact CA-O 3.25Å; G15-R56 PolarHBondContact N-O 3.32Å; I54-R56 VanDerWaalsContact C-N 3.31Å; I54-R56 HydrophobicContact CG2-CB 4.06Å; I54-R56 HydrophobicContact CG2-CG 3.69Å; I54-R56 PolarHBondContact O-N 2.8Å; R56-P58 WeakPolarHBondContact O-CD 3.07Å; R56-E86 IonicContact CZ-OE1 3.17Å; R56-E86 IonicContact CZ-OE2 3Å; R56-E86 IonicContact NE-OE1 2.8Å; R56-E86 PolarHBondContact NE-OE1 2.86Å; R56-E86 VanDerWaalsContact NE-OE1 3.17Å; R56-E86 IonicContact NE-OE2 3.75Å; R56-E86 PolarHBondContact NE-OE2 2.91Å; R56-E86 IonicContact NH2-OE1 3.56Å; R56-E86 PolarHBondContact NH2-OE1 3.1Å; R56-E86 IonicContact NH2-OE2 3.21Å; R56-F89 HydrophobicContact CG-CD1 3.83Å; R56-F89 HydrophobicContact CG-CE1 3.49Å; R56-F89 VanDerWaalsContact CG-CE1 3.49Å; R56-F89 HydrophobicContact CG-CG 4.48Å; R56-F89 HydrophobicContact CG-CZ 3.87Å; R56-Y90 WeakPolarHBondContact CB-OH 3.4Å; R56-Y90 WeakPolarHBondContact CG-OH 3.38Å
57D94.5Very high93Very high64 Ų6452.9 Ų52.934%0.34228%0.277SS..  trans-70117.3-179.3-173.3-27.5000111.9K59 L60 F61D57-K59 VanDerWaalsContact C-N 3.33Å; D57-K59 PolarHBondContact O-N 2.98Å; D57-K59 WeakPolarHBondContact OD1-CA 3.35Å; D57-K59 VanDerWaalsContact OD1-CB 3.31Å; D57-K59 WeakPolarHBondContact OD1-CB 3.19Å; D57-K59 PolarHBondContact OD1-N 3.36Å; D57-L60 HydrophobicContact CB-CB 4.42Å; D57-L60 HydrophobicContact CB-CD1 4.24Å; D57-L60 HydrophobicContact CB-CG 4.46Å; D57-F61 WeakPolarHBondContact O-CB 3.46Å; D57-F61 PolarHBondContact O-N 2.94Å
58P96.6Very high92.5Very high29 Ų2951.3 Ų51.319%0.18827%0.269CS..Hα-helixtrans-65.9-30.1179.324.9-33000114.3V14 T17 F19 R56 F61 H62V14-P58 WeakPolarHBondContact O-CB 3.47Å; T17-P58 HydrophobicContact CG2-CB 4.24Å; T17-P58 WeakPolarHBondContact OG1-CB 3.44Å; F19-P58 HydrophobicContact CE2-CB 3.95Å; F19-P58 HydrophobicContact CZ-CB 4.07Å; F19-P58 WeakPolarHBondContact CZ-O 3.4Å; R56-P58 WeakPolarHBondContact O-CD 3.07Å; P58-F61 PolarHBondContact O-N 3.3Å; P58-H62 PolarHBondContact O-N 2.92Å
59K93.4Very high92.2Very high170 Ų17048.3 Ų48.374%0.73924%0.243SC*.Hα-helixtrans-68.1-44.2-178.5-64.4-178.9178.9178.30110.9D57 H62D57-K59 VanDerWaalsContact C-N 3.33Å; D57-K59 PolarHBondContact O-N 2.98Å; D57-K59 WeakPolarHBondContact OD1-CA 3.35Å; D57-K59 VanDerWaalsContact OD1-CB 3.31Å; D57-K59 WeakPolarHBondContact OD1-CB 3.19Å; D57-K59 PolarHBondContact OD1-N 3.36Å; K59-H62 WeakPolarHBondContact O-CB 3.41Å
60L91Very high91.3Very high19 Ų1947.9 Ų47.910%0.09924%0.24CC..Hα-helixtrans-74.9-34.3176.9-63172.6000111.4D57 H62 I63 I64 V78 A82 L83 E86D57-L60 HydrophobicContact CB-CB 4.42Å; D57-L60 HydrophobicContact CB-CD1 4.24Å; D57-L60 HydrophobicContact CB-CG 4.46Å; L60-H62 VanDerWaalsContact C-N 3.26Å; L60-H62 PolarHBondContact O-N 3.1Å; L60-I63 HydrophobicContact CD2-CD1 4.17Å; L60-I63 WeakPolarHBondContact O-CB 3.48Å; L60-I63 PolarHBondContact O-N 3.22Å; L60-I63 VanDerWaalsContact O-N 3.08Å; L60-I64 PolarHBondContact O-N 3.08Å; L60-I64 VanDerWaalsContact O-N 3.12Å; L60-V78 HydrophobicContact CD2-CG1 4.38Å; L60-A82 HydrophobicContact CD1-CB 3.59Å; L60-A82 HydrophobicContact CD2-CB 4.46Å; L60-L83 HydrophobicContact CD2-CB 4.49Å; L60-E86 HydrophobicContact CB-CG 3.6Å; L60-E86 HydrophobicContact CD1-CG 3.68Å; L60-E86 HydrophobicContact CG-CG 4.3Å
61F94.9Very high90.4Very high0 Ų050.2 Ų50.20%024%0.239CC..Hα-helixtrans-59.7-36.6174-178.5-100.6000112.7L12 V14 F19 F34 D57 P58 I63 I64 L65 Y90L12-F61 HydrophobicContact CD1-CE1 4.06Å; L12-F61 HydrophobicContact CD1-CE2 4.45Å; L12-F61 HydrophobicContact CD1-CZ 3.49Å; L12-F61 VanDerWaalsContact CD1-CZ 3.49Å; V14-F61 HydrophobicContact CB-CD1 4.22Å; V14-F61 HydrophobicContact CB-CG 4.31Å; V14-F61 HydrophobicContact CG1-CB 3.87Å; V14-F61 HydrophobicContact CG1-CD1 4.36Å; V14-F61 HydrophobicContact CG1-CD2 4.37Å; V14-F61 HydrophobicContact CG1-CG 3.94Å; V14-F61 HydrophobicContact CG2-CD1 3.67Å; V14-F61 HydrophobicContact CG2-CD2 4.24Å; V14-F61 HydrophobicContact CG2-CE1 3.73Å; V14-F61 HydrophobicContact CG2-CE2 4.28Å; V14-F61 HydrophobicContact CG2-CG 3.94Å; V14-F61 HydrophobicContact CG2-CZ 4.06Å; F19-F61 HydrophobicContact CB-CE1 3.98Å; F19-F61 AromaticContact CD1-CD1 3.93Å; F19-F61 HydrophobicContact CD1-CD1 3.93Å; F19-F61 AromaticContact CD1-CE1 3.98Å; F19-F61 HydrophobicContact CD1-CE1 3.98Å; F19-F61 AromaticContact CD2-CD1 3.71Å; F19-F61 HydrophobicContact CD2-CD1 3.71Å; F19-F61 AromaticContact CD2-CE1 3.85Å; F19-F61 HydrophobicContact CD2-CE1 3.85Å; F19-F61 AromaticContact CE1-CD1 3.93Å; F19-F61 HydrophobicContact CE1-CD1 3.93Å; F19-F61 HydrophobicContact CE1-CE1 4.45Å; F19-F61 AromaticContact CE2-CD1 3.72Å; F19-F61 HydrophobicContact CE2-CD1 3.72Å; F19-F61 HydrophobicContact CE2-CE1 4.34Å; F19-F61 AromaticContact CG-CD1 3.82Å; F19-F61 HydrophobicContact CG-CD1 3.82Å; F19-F61 AromaticContact CG-CE1 3.66Å; F19-F61 HydrophobicContact CG-CE1 3.66Å; F19-F61 AromaticContact CZ-CD1 3.84Å; F19-F61 HydrophobicContact CZ-CD1 3.84Å; F34-F61 AromaticContact CE1-CE2 3.82Å; F34-F61 HydrophobicContact CE1-CE2 3.82Å; F34-F61 HydrophobicContact CE1-CZ 4.37Å; F34-F61 AromaticContact CZ-CE2 3.63Å; F34-F61 HydrophobicContact CZ-CE2 3.63Å; F34-F61 HydrophobicContact CZ-CZ 4.44Å; D57-F61 WeakPolarHBondContact O-CB 3.46Å; D57-F61 PolarHBondContact O-N 2.94Å; P58-F61 PolarHBondContact O-N 3.3Å; F61-I63 PolarHBondContact O-N 3.41Å; F61-I64 WeakPolarHBondContact O-CB 3.3Å; F61-I64 PolarHBondContact O-N 3.26Å; F61-L65 HydrophobicContact CE1-CB 4.18Å; F61-L65 HydrophobicContact CE1-CD2 4.01Å; F61-L65 HydrophobicContact CZ-CB 4.44Å; F61-L65 WeakPolarHBondContact O-CB 2.98Å; F61-L65 PolarHBondContact O-N 2.87Å; F61-Y90 HydrophobicContact CD2-CE1 4.18Å; F61-Y90 HydrophobicContact CD2-CE2 4.05Å; F61-Y90 AromaticContact CD2-CZ 3.65Å; F61-Y90 WeakPolarHBondContact CD2-OH 3.38Å; F61-Y90 HydrophobicContact CE2-CE1 4.3Å
62H92.4Very high88.7Confident90 Ų9055 Ų5542%0.41726%0.262SS..Hα-helixtrans-54-42.5173.4177.979000112.2F19 P58 K59 L60 L65 N66F19-H62 HydrophobicContact CE1-CB 4.2Å; P58-H62 PolarHBondContact O-N 2.92Å; K59-H62 WeakPolarHBondContact O-CB 3.41Å; L60-H62 VanDerWaalsContact C-N 3.26Å; L60-H62 PolarHBondContact O-N 3.1Å; H62-L65 PolarHBondContact O-N 3.11Å; H62-N66 PolarHBondContact CD2-ND2 3.18Å; H62-N66 PolarHBondContact CE1-ND2 3.03Å; H62-N66 PolarHBondContact NE2-ND2 2.91Å; H62-N66 WeakPolarHBondContact O-CB 3.43Å; H62-N66 VanDerWaalsContact O-CG 3.28Å; H62-N66 PolarHBondContact O-N 3.02Å; H62-N66 PolarHBondContact O-ND2 3.26Å
63I87.9Confident87.3Confident30 Ų3055.5 Ų55.515%0.15427%0.266CS..Hα-helixtrans-67.4-45.6178.7-56.4166.3000110.4L60 F61 L65 N66 Y67 V73 V78 L83L60-I63 HydrophobicContact CD2-CD1 4.17Å; L60-I63 WeakPolarHBondContact O-CB 3.48Å; L60-I63 PolarHBondContact O-N 3.22Å; L60-I63 VanDerWaalsContact O-N 3.08Å; F61-I63 PolarHBondContact O-N 3.41Å; I63-L65 VanDerWaalsContact C-N 3.32Å; I63-L65 PolarHBondContact O-N 2.93Å; I63-N66 PolarHBondContact O-N 3.4Å; I63-Y67 PolarHBondContact O-N 3.5Å; I63-V73 HydrophobicContact CG2-CG2 3.56Å; I63-V78 HydrophobicContact CD1-CB 4.2Å; I63-V78 HydrophobicContact CD1-CG1 3.57Å; I63-V78 HydrophobicContact CD1-CG2 3.52Å; I63-V78 HydrophobicContact CG1-CG2 4.47Å; I63-L83 HydrophobicContact CB-CD1 4Å; I63-L83 HydrophobicContact CD1-CD1 4.45Å; I63-L83 HydrophobicContact CG2-CD1 3.79Å; I63-L83 HydrophobicContact CG2-CD2 4.08Å
64I89.7Confident85.7Confident0 Ų056 Ų560%027%0.271CS..Hα-helixtrans-58.3-45.1175.7-65.9-62.4000111.2L60 F61 Y67 M68 L83 E86 A87 Y90 I92 L95L60-I64 PolarHBondContact O-N 3.08Å; L60-I64 VanDerWaalsContact O-N 3.12Å; F61-I64 WeakPolarHBondContact O-CB 3.3Å; F61-I64 PolarHBondContact O-N 3.26Å; I64-Y67 WeakPolarHBondContact O-CB 3.37Å; I64-Y67 PolarHBondContact O-N 3.35Å; I64-M68 HydrophobicContact CG2-CE 4.11Å; I64-M68 WeakPolarHBondContact O-CG 3.35Å; I64-M68 PolarHBondContact O-N 3Å; I64-L83 HydrophobicContact CD1-CD1 3.74Å; I64-L83 HydrophobicContact CG1-CD1 4.08Å; I64-E86 HydrophobicContact CG1-CB 4.3Å; I64-A87 HydrophobicContact CD1-CB 4.18Å; I64-Y90 HydrophobicContact CG1-CD2 4.15Å; I64-Y90 HydrophobicContact CG1-CE2 4.3Å; I64-Y90 HydrophobicContact CG2-CD2 3.95Å; I64-Y90 HydrophobicContact CG2-CE2 4.45Å; I64-Y90 HydrophobicContact CG2-CG 4.49Å; I64-I92 HydrophobicContact CD1-CD1 4.35Å; I64-I92 HydrophobicContact CG2-CD1 3.3Å; I64-L95 HydrophobicContact CD1-CD1 3.84Å
65L93.1Very high84.2Confident0 Ų057.4 Ų57.40%028%0.279CS..Hα-helixtrans-66.2-42.5179.2-177.659.3000111.9F19 T21 T25 L26 F61 H62 I63 Y67 M68 R69F19-L65 HydrophobicContact CB-CD2 4.3Å; F19-L65 HydrophobicContact CD1-CD2 3.89Å; F19-L65 HydrophobicContact CG-CD2 4.45Å; T21-L65 HydrophobicContact CG2-CD1 4.17Å; T25-L65 HydrophobicContact CG2-CD1 4.11Å; L26-L65 HydrophobicContact CD2-CD1 4.3Å; F61-L65 HydrophobicContact CE1-CB 4.18Å; F61-L65 HydrophobicContact CE1-CD2 4.01Å; F61-L65 HydrophobicContact CZ-CB 4.44Å; F61-L65 WeakPolarHBondContact O-CB 2.98Å; F61-L65 PolarHBondContact O-N 2.87Å; H62-L65 PolarHBondContact O-N 3.11Å; I63-L65 VanDerWaalsContact C-N 3.32Å; I63-L65 PolarHBondContact O-N 2.93Å; L65-Y67 VanDerWaalsContact C-N 3.33Å; L65-Y67 PolarHBondContact O-N 3.17Å; L65-M68 HydrophobicContact CD1-CE 3.92Å; L65-M68 PolarHBondContact O-N 3.32Å; L65-R69 WeakPolarHBondContact O-CG 3.45Å; L65-R69 PolarHBondContact O-N 3.44Å
66N86.5Confident82.2Confident55 Ų5559.6 Ų59.629%0.29428%0.277SS..Hα-helixtrans-63.2-40.7175.3-74.7-15000111.6H62 I63 M68 R69 S70H62-N66 PolarHBondContact CD2-ND2 3.18Å; H62-N66 PolarHBondContact CE1-ND2 3.03Å; H62-N66 PolarHBondContact NE2-ND2 2.91Å; H62-N66 WeakPolarHBondContact O-CB 3.43Å; H62-N66 VanDerWaalsContact O-CG 3.28Å; H62-N66 PolarHBondContact O-N 3.02Å; H62-N66 PolarHBondContact O-ND2 3.26Å; I63-N66 PolarHBondContact O-N 3.4Å; N66-M68 VanDerWaalsContact C-N 3.31Å; N66-M68 PolarHBondContact O-N 2.93Å; N66-R69 PolarHBondContact O-N 3.44Å; N66-S70 PolarHBondContact O-N 3.18Å; N66-S70 PolarHBondContact O-OG 3.12Å
67Y82Confident80.5Confident29 Ų2965.4 Ų65.411%0.11431%0.308CS..Hα-helixtrans-57.2-44.3171.9171.9-104.7000111.8W28 I29 I63 I64 L65 R69 K71 Q72 V73 I92 P94 L95W28-Y67 HydrophobicContact CH2-CE1 4.31Å; W28-Y67 HydrophobicContact CZ3-CE1 4.14Å; I29-Y67 HydrophobicContact CD1-CE1 3.98Å; I63-Y67 PolarHBondContact O-N 3.5Å; I64-Y67 WeakPolarHBondContact O-CB 3.37Å; I64-Y67 PolarHBondContact O-N 3.35Å; L65-Y67 VanDerWaalsContact C-N 3.33Å; L65-Y67 PolarHBondContact O-N 3.17Å; Y67-R69 VanDerWaalsContact C-N 3.27Å; Y67-R69 PolarHBondContact O-N 2.8Å; Y67-K71 WeakPolarHBondContact O-CA 3.37Å; Y67-K71 PolarHBondContact O-N 3.08Å; Y67-Q72 WeakPolarHBondContact CA-O 3.47Å; Y67-V73 HydrophobicContact CD2-CB 4.4Å; Y67-I92 HydrophobicContact CD1-CG2 4.16Å; Y67-I92 HydrophobicContact CE1-CG2 3.71Å; Y67-P94 WeakPolarHBondContact OH-CB 3.15Å; Y67-L95 HydrophobicContact CD1-CD1 3.73Å; Y67-L95 HydrophobicContact CD1-CG 4.47Å; Y67-L95 HydrophobicContact CE1-CD1 4.08Å; Y67-L95 HydrophobicContact CE1-CG 4.35Å; Y67-L95 HydrophobicContact CG-CD1 4Å
68M85.2Confident79Confident2 Ų263.7 Ų63.71%0.0130%0.299CS..Hα-helixtrans-64.2-29.8176-69.4-170.9-67.100113.2T25 L26 F34 I64 L65 N66 K71 I92T25-M68 HydrophobicContact CG2-CB 3.81Å; L26-M68 HydrophobicContact CD2-CE 3.49Å; L26-M68 VanDerWaalsContact CD2-CE 3.49Å; L26-M68 HydrophobicContact CD2-SD 4.18Å; F34-M68 HydrophobicContact CD2-CE 4.05Å; F34-M68 HydrophobicContact CD2-SD 3.71Å; F34-M68 HydrophobicContact CE2-CE 3.57Å; F34-M68 HydrophobicContact CE2-SD 3.65Å; F34-M68 HydrophobicContact CZ-CE 3.98Å; I64-M68 HydrophobicContact CG2-CE 4.11Å; I64-M68 WeakPolarHBondContact O-CG 3.35Å; I64-M68 PolarHBondContact O-N 3Å; L65-M68 HydrophobicContact CD1-CE 3.92Å; L65-M68 PolarHBondContact O-N 3.32Å; N66-M68 VanDerWaalsContact C-N 3.31Å; N66-M68 PolarHBondContact O-N 2.93Å; M68-K71 PolarHBondContact O-NZ 3.49Å; M68-I92 HydrophobicContact CG-CD1 4.49Å; M68-I92 HydrophobicContact SD-CD1 4.35Å
69R86.3Confident77.9Confident117 Ų11767.7 Ų67.744%0.44232%0.316SS..Hα-helixtrans-78.2-54.2176.6-69.9173.3177.4154-6.8113.1T20 T25 L65 N66 Y67T20-R69 PolarHBondContact O-NH2 2.77Å; T25-R69 HydrophobicContact CG2-CG 3.61Å; L65-R69 WeakPolarHBondContact O-CG 3.45Å; L65-R69 PolarHBondContact O-N 3.44Å; N66-R69 PolarHBondContact O-N 3.44Å; Y67-R69 VanDerWaalsContact C-N 3.27Å; Y67-R69 PolarHBondContact O-N 2.8Å
70S76.3Confident76.6Confident60 Ų6061.7 Ų61.742%0.4229%0.293SS..Hα-helixtrans-97.6-13.2-168.7690000114.4N66 Q72N66-S70 PolarHBondContact O-N 3.18Å; N66-S70 PolarHBondContact O-OG 3.12Å; S70-Q72 PolarHBondContact O-N 3.34Å; S70-Q72 PolarHBondContact OG-N 3.05Å; S70-Q72 VanDerWaalsContact OG-N 3.08Å; S70-Q72 PolarHBondContact OG-O 3.29Å; S70-Q72 VanDerWaalsContact OG-O 3.11Å
71K73.8Confident75.7Confident89 Ų8963.3 Ų63.339%0.38730%0.303SS..SBendtrans63.214.8-169.2-39-50.6-175.2-1570113.3W28 Y67 M68W28-K71 HydrophobicContact CD2-CD 4.02Å; W28-K71 VanDerWaalsContact CD2-CE 3.46Å; W28-K71 HydrophobicContact CE3-CD 3.9Å; W28-K71 HydrophobicContact CH2-CD 3.46Å; W28-K71 VanDerWaalsContact CH2-CD 3.46Å; W28-K71 HydrophobicContact CZ2-CD 3.54Å; W28-K71 HydrophobicContact CZ3-CD 3.58Å; Y67-K71 WeakPolarHBondContact O-CA 3.37Å; Y67-K71 PolarHBondContact O-N 3.08Å; M68-K71 PolarHBondContact O-NZ 3.49Å
72Q60.7Low74.9Confident101 Ų10164.4 Ų64.447%0.47231%0.312SS..  trans-127149.8-178.2-61.9-178.93900109.9Y67 S70Y67-Q72 WeakPolarHBondContact CA-O 3.47Å; S70-Q72 PolarHBondContact O-N 3.34Å; S70-Q72 PolarHBondContact OG-N 3.05Å; S70-Q72 VanDerWaalsContact OG-N 3.08Å; S70-Q72 PolarHBondContact OG-O 3.29Å; S70-Q72 VanDerWaalsContact OG-O 3.11Å
73V66Low74.2Confident31 Ų3160.4 Ų60.419%0.18829%0.294CS..  trans-131.2129.1176.364.70000108.9I63 Y67 L75 L83I63-V73 HydrophobicContact CG2-CG2 3.56Å; Y67-V73 HydrophobicContact CD2-CB 4.4Å; V73-L75 HydrophobicContact CG1-CD1 4.44Å; V73-L75 HydrophobicContact CG1-CD2 4.17Å; V73-L75 HydrophobicContact CG1-CG 4.13Å; V73-L75 HydrophobicContact CG2-CD2 3.68Å; V73-L75 HydrophobicContact CG2-CG 4.29Å; V73-L83 HydrophobicContact CG2-CD2 4.25Å
74D62.2Low73.6Confident81 Ų8161.2 Ų61.243%0.43330%0.295SS..  trans-90.7122.8168.7-171.8-5.7000108.6R76 V78D74-R76 WeakPolarHBondContact OD1-CB 3.36Å; D74-R76 WeakPolarHBondContact OD1-CG 3.37Å; D74-R76 PolarHBondContact OD1-N 3.41Å; D74-R76 IonicContact OD1-NE 3.1Å; D74-R76 PolarHBondContact OD1-NE 3.02Å; D74-R76 IonicContact OD2-CZ 3.73Å; D74-R76 IonicContact OD2-NE 3.6Å; D74-R76 PolarHBondContact OD2-NE 2.91Å; D74-R76 IonicContact OD2-NH2 2.65Å; D74-R76 PolarHBondContact OD2-NH2 3.4Å; D74-V78 WeakPolarHBondContact O-CG2 3.47Å
75L65Low73.2Confident36 Ų3665.3 Ų65.319%0.18831%0.314CS..  trans-108.26.8-176.9-61.1176.5000112.7V73 E77 V78 L83V73-L75 HydrophobicContact CG1-CD1 4.44Å; V73-L75 HydrophobicContact CG1-CD2 4.17Å; V73-L75 HydrophobicContact CG1-CG 4.13Å; V73-L75 HydrophobicContact CG2-CD2 3.68Å; V73-L75 HydrophobicContact CG2-CG 4.29Å; L75-E77 VanDerWaalsContact C-N 3.3Å; L75-E77 PolarHBondContact O-N 3.46Å; L75-V78 PolarHBondContact O-N 3.4Å; L75-L83 HydrophobicContact CD2-CD2 3.62Å
76R53.4Low72.8Confident178 Ų17865.9 Ų65.967%0.67232%0.317SS*.THydrogen-bonded Turntrans-59.2-37.1-172.5-74.8179-66.2168.33.5113.9D74D74-R76 WeakPolarHBondContact OD1-CB 3.36Å; D74-R76 WeakPolarHBondContact OD1-CG 3.37Å; D74-R76 PolarHBondContact OD1-N 3.41Å; D74-R76 IonicContact OD1-NE 3.1Å; D74-R76 PolarHBondContact OD1-NE 3.02Å; D74-R76 IonicContact OD2-CZ 3.73Å; D74-R76 IonicContact OD2-NE 3.6Å; D74-R76 PolarHBondContact OD2-NE 2.91Å; D74-R76 IonicContact OD2-NH2 2.65Å; D74-R76 PolarHBondContact OD2-NH2 3.4Å
77E59.5Low72.7Confident193 Ų19363.3 Ų63.390%0.90230%0.303SS*.THydrogen-bonded Turntrans-123.121.1-174.4-61.3-176.6173.400112.5L75L75-E77 VanDerWaalsContact C-N 3.3Å; L75-E77 PolarHBondContact O-N 3.46Å
78V62.7Low72.7Confident27 Ų2766.1 Ų66.116%0.16432%0.317CS..  trans-108.7131.1-171.2-1740000111.1L60 I63 D74 L75 V80 L83L60-V78 HydrophobicContact CD2-CG1 4.38Å; I63-V78 HydrophobicContact CD1-CB 4.2Å; I63-V78 HydrophobicContact CD1-CG1 3.57Å; I63-V78 HydrophobicContact CD1-CG2 3.52Å; I63-V78 HydrophobicContact CG1-CG2 4.47Å; D74-V78 WeakPolarHBondContact O-CG2 3.47Å; L75-V78 PolarHBondContact O-N 3.4Å; V78-V80 PolarHBondContact O-N 3.43Å; V78-L83 HydrophobicContact CG1-CB 3.9Å; V78-L83 HydrophobicContact CG1-CD2 4.04Å; V78-L83 HydrophobicContact CG1-CG 4.42Å
79E73.2Confident72.9Confident114 Ų11470 Ų7053%0.53333%0.334SS..  trans-69.997.4169.2-154.7-85.191.100109.1V81 A82 L83E79-V81 PolarHBondContact O-N 3.32Å; E79-V81 WeakPolarHBondContact OE1-CA 3.12Å; E79-V81 WeakPolarHBondContact OE1-CB 3.2Å; E79-V81 PolarHBondContact OE1-N 3.19Å; E79-A82 HydrophobicContact CB-CB 4.4Å; E79-A82 PolarHBondContact O-N 3.41Å; E79-A82 PolarHBondContact OE1-N 2.76Å; E79-A82 WeakPolarHBondContact OE2-CB 2.83Å; E79-A82 PolarHBondContact OE2-N 3.36Å; E79-L83 PolarHBondContact O-N 2.77Å
80V67.6Low73.1Confident44 Ų4464.4 Ų64.427%0.26731%0.313SS..Hα-helixtrans-60.6-30.3-169.5179.40000112.6V78 R84V78-V80 PolarHBondContact O-N 3.43Å; V80-R84 VanDerWaalsContact O-CB 3.28Å; V80-R84 WeakPolarHBondContact O-CB 3.4Å; V80-R84 PolarHBondContact O-N 3.13Å; V80-R84 VanDerWaalsContact O-N 3.13Å
81V71.9Confident73.5Confident52 Ų5263.3 Ų63.332%0.31531%0.312SS..Hα-helixtrans-74-41.3180-176.40000110.4E79 R84 H85E79-V81 PolarHBondContact O-N 3.32Å; E79-V81 WeakPolarHBondContact OE1-CA 3.12Å; E79-V81 WeakPolarHBondContact OE1-CB 3.2Å; E79-V81 PolarHBondContact OE1-N 3.19Å; V81-R84 WeakPolarHBondContact O-CB 3.4Å; V81-R84 PolarHBondContact O-N 3.31Å; V81-H85 PolarHBondContact O-N 3.21Å; V81-H85 PolarHBondContact O-ND1 3.21Å
82A76.6Confident73.7Confident23 Ų2359.1 Ų59.119%0.1929%0.293CS..Hα-helixtrans-64.9-45.4172.900000112.6L60 E79 R84 H85 E86L60-A82 HydrophobicContact CD1-CB 3.59Å; L60-A82 HydrophobicContact CD2-CB 4.46Å; E79-A82 HydrophobicContact CB-CB 4.4Å; E79-A82 PolarHBondContact O-N 3.41Å; E79-A82 PolarHBondContact OE1-N 2.76Å; E79-A82 WeakPolarHBondContact OE2-CB 2.83Å; E79-A82 PolarHBondContact OE2-N 3.36Å; A82-R84 PolarHBondContact O-N 3.1Å; A82-H85 PolarHBondContact O-N 3.24Å; A82-E86 PolarHBondContact O-N 2.86Å; A82-E86 VanDerWaalsContact O-N 3.11Å
83L79.5Confident73.6Confident7 Ų756 Ų564%0.03729%0.288CS..Hα-helixtrans-57.2-37.1177.3-17965.8000111.9L60 I63 I64 V73 L75 V78 E79 E86 A87L60-L83 HydrophobicContact CD2-CB 4.49Å; I63-L83 HydrophobicContact CB-CD1 4Å; I63-L83 HydrophobicContact CD1-CD1 4.45Å; I63-L83 HydrophobicContact CG2-CD1 3.79Å; I63-L83 HydrophobicContact CG2-CD2 4.08Å; I64-L83 HydrophobicContact CD1-CD1 3.74Å; I64-L83 HydrophobicContact CG1-CD1 4.08Å; V73-L83 HydrophobicContact CG2-CD2 4.25Å; L75-L83 HydrophobicContact CD2-CD2 3.62Å; V78-L83 HydrophobicContact CG1-CB 3.9Å; V78-L83 HydrophobicContact CG1-CD2 4.04Å; V78-L83 HydrophobicContact CG1-CG 4.42Å; E79-L83 PolarHBondContact O-N 2.77Å; L83-E86 PolarHBondContact O-N 2.81Å; L83-A87 WeakPolarHBondContact O-CB 3.3Å; L83-A87 PolarHBondContact O-N 2.96Å
84R74.3Confident73Confident47 Ų4756.8 Ų56.818%0.17729%0.294CS..Hα-helixtrans-64.3-42.8176.4175-173.292.31511.4112.8V80 V81 A82 E86 A87 Q88 F98V80-R84 VanDerWaalsContact O-CB 3.28Å; V80-R84 WeakPolarHBondContact O-CB 3.4Å; V80-R84 PolarHBondContact O-N 3.13Å; V80-R84 VanDerWaalsContact O-N 3.13Å; V81-R84 WeakPolarHBondContact O-CB 3.4Å; V81-R84 PolarHBondContact O-N 3.31Å; A82-R84 PolarHBondContact O-N 3.1Å; R84-E86 VanDerWaalsContact C-N 3.31Å; R84-A87 PolarHBondContact O-N 3.3Å; R84-Q88 VanDerWaalsContact O-CG 3.31Å; R84-Q88 WeakPolarHBondContact O-CG 3.42Å; R84-Q88 PolarHBondContact O-N 3.48Å; R84-F98 HydrophobicContact CB-CD2 4.28Å; R84-F98 HydrophobicContact CB-CE2 4.39Å; R84-F98 VanDerWaalsContact CD-CB 3.48Å; R84-F98 VanDerWaalsContact CD-CD2 3.49Å; R84-F98 VanDerWaalsContact CD-CG 3.48Å; R84-F98 HydrophobicContact CG-CB 4.1Å; R84-F98 HydrophobicContact CG-CD2 3.48Å; R84-F98 VanDerWaalsContact CG-CD2 3.48Å; R84-F98 HydrophobicContact CG-CE2 4.06Å; R84-F98 HydrophobicContact CG-CG 4Å
85H80.5Confident72.3Confident86 Ų8653.5 Ų53.540%0.39828%0.276SS..Hα-helixtrans-64.5-38.1176.7-64.4144.9000111.3V81 A82 Q88 F89V81-H85 PolarHBondContact O-N 3.21Å; V81-H85 PolarHBondContact O-ND1 3.21Å; A82-H85 PolarHBondContact O-N 3.24Å; H85-Q88 PolarHBondContact O-N 3.05Å; H85-F89 PolarHBondContact O-N 3.01Å
86E86.5Confident71.2Confident12 Ų1252.2 Ų52.26%0.05627%0.272CS..Hα-helixtrans-63-48.1171.7-69.6-51.112400112.1R56 L60 I64 A82 L83 R84 Q88 F89 Y90R56-E86 IonicContact CZ-OE1 3.17Å; R56-E86 IonicContact CZ-OE2 3Å; R56-E86 IonicContact NE-OE1 2.8Å; R56-E86 PolarHBondContact NE-OE1 2.86Å; R56-E86 VanDerWaalsContact NE-OE1 3.17Å; R56-E86 IonicContact NE-OE2 3.75Å; R56-E86 PolarHBondContact NE-OE2 2.91Å; R56-E86 IonicContact NH2-OE1 3.56Å; R56-E86 PolarHBondContact NH2-OE1 3.1Å; R56-E86 IonicContact NH2-OE2 3.21Å; L60-E86 HydrophobicContact CB-CG 3.6Å; L60-E86 HydrophobicContact CD1-CG 3.68Å; L60-E86 HydrophobicContact CG-CG 4.3Å; I64-E86 HydrophobicContact CG1-CB 4.3Å; A82-E86 PolarHBondContact O-N 2.86Å; A82-E86 VanDerWaalsContact O-N 3.11Å; L83-E86 PolarHBondContact O-N 2.81Å; R84-E86 VanDerWaalsContact C-N 3.31Å; E86-Q88 VanDerWaalsContact C-N 3.27Å; E86-Q88 PolarHBondContact O-N 3.09Å; E86-F89 WeakPolarHBondContact O-CB 3.34Å; E86-F89 PolarHBondContact O-N 3.4Å; E86-F89 VanDerWaalsContact O-N 3.09Å; E86-Y90 HydrophobicContact CB-CD2 4.3Å; E86-Y90 HydrophobicContact CB-CE2 4.01Å; E86-Y90 WeakPolarHBondContact O-CD2 3.45Å; E86-Y90 PolarHBondContact O-N 2.9Å; E86-Y90 VanDerWaalsContact OE2-CE2 3.3Å; E86-Y90 WeakPolarHBondContact OE2-CE2 3.24Å; E86-Y90 PolarHBondContact OE2-OH 3.39Å
87A82.5Confident70.3Confident0 Ų047.2 Ų47.20%026%0.261CS..Hα-helixtrans-58.8-38.4178.500000113.7I64 L83 R84 G91 I92 L95I64-A87 HydrophobicContact CD1-CB 4.18Å; L83-A87 WeakPolarHBondContact O-CB 3.3Å; L83-A87 PolarHBondContact O-N 2.96Å; R84-A87 PolarHBondContact O-N 3.3Å; A87-G91 PolarHBondContact O-N 3.11Å; A87-I92 PolarHBondContact O-N 3.46Å; A87-L95 VanDerWaalsContact CB-C 3.42Å; A87-L95 HydrophobicContact CB-CB 3.16Å; A87-L95 HydrophobicContact CB-CD1 4.39Å; A87-L95 HydrophobicContact CB-CG 4.4Å
88Q82.6Confident69.1Low88 Ų8839.7 Ų39.741%0.41123%0.225SC..Hα-helixtrans-62-48.2172.6-76.4174-14.200111.2R84 H85 E86 Y90 G91 G96R84-Q88 VanDerWaalsContact O-CG 3.31Å; R84-Q88 WeakPolarHBondContact O-CG 3.42Å; R84-Q88 PolarHBondContact O-N 3.48Å; H85-Q88 PolarHBondContact O-N 3.05Å; E86-Q88 VanDerWaalsContact C-N 3.27Å; E86-Q88 PolarHBondContact O-N 3.09Å; Q88-Y90 VanDerWaalsContact C-N 3.33Å; Q88-Y90 PolarHBondContact O-N 3.34Å; Q88-G91 PolarHBondContact O-N 2.65Å; Q88-G91 VanDerWaalsContact O-N 3.1Å; Q88-G96 WeakPolarHBondContact CG-O 3.34Å; Q88-G96 PolarHBondContact NE2-O 2.89Å
89F89.5Confident67.7Low83 Ų8343.2 Ų43.236%0.36425%0.252SS..Hα-helixtrans-56.9-46.1177.8174.9-92.4000111.8F33 I54 R56 H85 E86 G91F33-F89 HydrophobicContact CD2-CE1 4.35Å; F33-F89 HydrophobicContact CD2-CZ 4.48Å; F33-F89 HydrophobicContact CE2-CE1 4.16Å; F33-F89 HydrophobicContact CE2-CZ 4.06Å; F33-F89 HydrophobicContact CZ-CE1 4.25Å; F33-F89 HydrophobicContact CZ-CZ 4.36Å; I54-F89 HydrophobicContact CG2-CE1 4.33Å; R56-F89 HydrophobicContact CG-CD1 3.83Å; R56-F89 HydrophobicContact CG-CE1 3.49Å; R56-F89 VanDerWaalsContact CG-CE1 3.49Å; R56-F89 HydrophobicContact CG-CG 4.48Å; R56-F89 HydrophobicContact CG-CZ 3.87Å; H85-F89 PolarHBondContact O-N 3.01Å; E86-F89 WeakPolarHBondContact O-CB 3.34Å; E86-F89 PolarHBondContact O-N 3.4Å; E86-F89 VanDerWaalsContact O-N 3.09Å; F89-G91 PolarHBondContact O-N 3.03Å
90Y90.5Very high65.6Low0 Ų042.2 Ų42.20%026%0.263CS..THydrogen-bonded Turntrans-76.9-0.3-179.7-62.1-62000114.3T32 F33 F34 I54 R56 F61 I64 E86 Q88 I92T32-Y90 WeakPolarHBondContact CB-O 3.44Å; F33-Y90 HydrophobicContact CB-CD1 4.39Å; F33-Y90 VanDerWaalsContact CB-O 3.28Å; F33-Y90 WeakPolarHBondContact CB-O 3.36Å; F33-Y90 AromaticContact CD1-CD1 3.75Å; F33-Y90 HydrophobicContact CD1-CD1 3.75Å; F33-Y90 HydrophobicContact CD1-CE1 4.28Å; F33-Y90 HydrophobicContact CE1-CD1 4.31Å; F33-Y90 HydrophobicContact CE1-CE1 4.39Å; F33-Y90 HydrophobicContact CG-CD1 4.2Å; F33-Y90 PolarHBondContact N-O 3.2Å; F34-Y90 AromaticContact CE1-CD1 3.86Å; F34-Y90 HydrophobicContact CE1-CD1 3.86Å; F34-Y90 HydrophobicContact CE1-CE1 4.08Å; F34-Y90 AromaticContact CE2-CD1 3.85Å; F34-Y90 HydrophobicContact CE2-CD1 3.85Å; F34-Y90 AromaticContact CE2-CG 3.96Å; F34-Y90 HydrophobicContact CE2-CG 3.96Å; F34-Y90 AromaticContact CZ-CD1 3.24Å; F34-Y90 HydrophobicContact CZ-CD1 3.24Å; F34-Y90 HydrophobicContact CZ-CD2 4.5Å; F34-Y90 AromaticContact CZ-CE1 3.71Å; F34-Y90 HydrophobicContact CZ-CE1 3.71Å; F34-Y90 AromaticContact CZ-CG 3.71Å; F34-Y90 HydrophobicContact CZ-CG 3.71Å; I54-Y90 HydrophobicContact CG2-CE1 4.16Å; R56-Y90 WeakPolarHBondContact CB-OH 3.4Å; R56-Y90 WeakPolarHBondContact CG-OH 3.38Å; F61-Y90 HydrophobicContact CD2-CE1 4.18Å; F61-Y90 HydrophobicContact CD2-CE2 4.05Å; F61-Y90 AromaticContact CD2-CZ 3.65Å; F61-Y90 WeakPolarHBondContact CD2-OH 3.38Å; F61-Y90 HydrophobicContact CE2-CE1 4.3Å; I64-Y90 HydrophobicContact CG1-CD2 4.15Å; I64-Y90 HydrophobicContact CG1-CE2 4.3Å; I64-Y90 HydrophobicContact CG2-CD2 3.95Å; I64-Y90 HydrophobicContact CG2-CE2 4.45Å; I64-Y90 HydrophobicContact CG2-CG 4.49Å; E86-Y90 HydrophobicContact CB-CD2 4.3Å; E86-Y90 HydrophobicContact CB-CE2 4.01Å; E86-Y90 WeakPolarHBondContact O-CD2 3.45Å; E86-Y90 PolarHBondContact O-N 2.9Å; E86-Y90 VanDerWaalsContact OE2-CE2 3.3Å; E86-Y90 WeakPolarHBondContact OE2-CE2 3.24Å; E86-Y90 PolarHBondContact OE2-OH 3.39Å; Q88-Y90 VanDerWaalsContact C-N 3.33Å; Q88-Y90 PolarHBondContact O-N 3.34Å; Y90-I92 PolarHBondContact O-N 3.21Å
91G84.2Confident63.8Low38 Ų3848.4 Ų48.439%0.39229%0.286SS..THydrogen-bonded Turntrans64.922.9-17600000113.2A87 Q88 F89 G93A87-G91 PolarHBondContact O-N 3.11Å; Q88-G91 PolarHBondContact O-N 2.65Å; Q88-G91 VanDerWaalsContact O-N 3.1Å; F89-G91 PolarHBondContact O-N 3.03Å; G91-G93 PolarHBondContact O-N 3.13Å
92I78.1Confident61.8Low0 Ų054.5 Ų54.50%031%0.311CS..  trans-82.280.6178.4-59.9172.8000106.9I29 T32 F34 I64 Y67 M68 A87 Y90 P94 L95 G96I29-I92 HydrophobicContact CD1-CG2 3.84Å; T32-I92 HydrophobicContact CG2-CG1 4.45Å; F34-I92 HydrophobicContact CE2-CD1 4.27Å; I64-I92 HydrophobicContact CD1-CD1 4.35Å; I64-I92 HydrophobicContact CG2-CD1 3.3Å; Y67-I92 HydrophobicContact CD1-CG2 4.16Å; Y67-I92 HydrophobicContact CE1-CG2 3.71Å; M68-I92 HydrophobicContact CG-CD1 4.49Å; M68-I92 HydrophobicContact SD-CD1 4.35Å; A87-I92 PolarHBondContact O-N 3.46Å; Y90-I92 PolarHBondContact O-N 3.21Å; I92-P94 VanDerWaalsContact C-N 3.28Å; I92-P94 VanDerWaalsContact O-N 3.16Å; I92-L95 HydrophobicContact CG2-CB 4.12Å; I92-L95 HydrophobicContact CG2-CD1 3.96Å; I92-L95 HydrophobicContact CG2-CG 4.05Å; I92-L95 CarbonylContact O-C 3.49Å; I92-L95 WeakPolarHBondContact O-CA 3.29Å; I92-L95 PolarHBondContact O-N 3.31Å; I92-G96 PolarHBondContact O-N 2.77Å
93G59.3Low59.7Low35 Ų3558.7 Ų58.736%0.36134%0.338SS..Hα-helixtrans-45.3-42-178.100000115.2G91 L95 G96 T97G91-G93 PolarHBondContact O-N 3.13Å; G93-L95 PolarHBondContact O-N 3.35Å; G93-L95 VanDerWaalsContact O-N 3.1Å; G93-G96 PolarHBondContact O-N 3.07Å; G93-T97 PolarHBondContact O-N 2.93Å; G93-T97 PolarHBondContact O-OG1 3.04Å
94P53.6Low57.4Low49 Ų4965.1 Ų65.132%0.31837%0.372SS..Hα-helixtrans-57.2-24.2174.9-27.135.8000114.3Y67 I92 I115Y67-P94 WeakPolarHBondContact OH-CB 3.15Å; I92-P94 VanDerWaalsContact C-N 3.28Å; I92-P94 VanDerWaalsContact O-N 3.16Å; P94-I115 WeakPolarHBondContact O-CA 3.31Å; P94-I115 VanDerWaalsContact O-CG2 3.3Å; P94-I115 WeakPolarHBondContact O-CG2 3.5Å
95L48.1Very low55.6Low11 Ų1173.8 Ų73.86%0.05841%0.405CS..Hα-helixtrans-110.9-20.1179.8-63.9176.5000113I64 Y67 A87 I92 G93 F98 I115I64-L95 HydrophobicContact CD1-CD1 3.84Å; Y67-L95 HydrophobicContact CD1-CD1 3.73Å; Y67-L95 HydrophobicContact CD1-CG 4.47Å; Y67-L95 HydrophobicContact CE1-CD1 4.08Å; Y67-L95 HydrophobicContact CE1-CG 4.35Å; Y67-L95 HydrophobicContact CG-CD1 4Å; A87-L95 VanDerWaalsContact CB-C 3.42Å; A87-L95 HydrophobicContact CB-CB 3.16Å; A87-L95 HydrophobicContact CB-CD1 4.39Å; A87-L95 HydrophobicContact CB-CG 4.4Å; I92-L95 HydrophobicContact CG2-CB 4.12Å; I92-L95 HydrophobicContact CG2-CD1 3.96Å; I92-L95 HydrophobicContact CG2-CG 4.05Å; I92-L95 CarbonylContact O-C 3.49Å; I92-L95 WeakPolarHBondContact O-CA 3.29Å; I92-L95 PolarHBondContact O-N 3.31Å; G93-L95 PolarHBondContact O-N 3.35Å; G93-L95 VanDerWaalsContact O-N 3.1Å; L95-F98 WeakPolarHBondContact O-CD2 3.06Å; L95-F98 WeakPolarHBondContact O-CE2 3.38Å; L95-I115 HydrophobicContact CD2-CG2 4.18Å
96G40.2Very low53.8Low9 Ų974.1 Ų74.19%0.09341%0.406CS..Hα-helixtrans-96.7-16.6-171.800000116.8Q88 I92 G93 F98Q88-G96 WeakPolarHBondContact CG-O 3.34Å; Q88-G96 PolarHBondContact NE2-O 2.89Å; I92-G96 PolarHBondContact O-N 2.77Å; G93-G96 PolarHBondContact O-N 3.07Å; G96-F98 PolarHBondContact O-N 2.74Å
97T35.4Very low51.8Low73 Ų7376 Ų7645%0.44842%0.419SS..  trans-8871.5-173.6-20.80000112.6G93G93-T97 PolarHBondContact O-N 2.93Å; G93-T97 PolarHBondContact O-OG1 3.04Å
98F34.5Very low50Low35 Ų3577.3 Ų77.315%0.15443%0.428CS..  trans-11394.5174.8-82.5-91.1000110.6R84 L95 G96 R111 I115R84-F98 HydrophobicContact CB-CD2 4.28Å; R84-F98 HydrophobicContact CB-CE2 4.39Å; R84-F98 VanDerWaalsContact CD-CB 3.48Å; R84-F98 VanDerWaalsContact CD-CD2 3.49Å; R84-F98 VanDerWaalsContact CD-CG 3.48Å; R84-F98 HydrophobicContact CG-CB 4.1Å; R84-F98 HydrophobicContact CG-CD2 3.48Å; R84-F98 VanDerWaalsContact CG-CD2 3.48Å; R84-F98 HydrophobicContact CG-CE2 4.06Å; R84-F98 HydrophobicContact CG-CG 4Å; L95-F98 WeakPolarHBondContact O-CD2 3.06Å; L95-F98 WeakPolarHBondContact O-CE2 3.38Å; G96-F98 PolarHBondContact O-N 2.74Å; F98-R111 HydrophobicContact CD1-CG 4.28Å; F98-R111 HydrophobicContact CE1-CG 3.65Å; F98-R111 WeakPolarHBondContact CE1-O 3.4Å; F98-I115 HydrophobicContact CE1-CG1 4.34Å; F98-I115 HydrophobicContact CE2-CD1 4.44Å; F98-I115 HydrophobicContact CE2-CG1 4.06Å; F98-I115 HydrophobicContact CZ-CD1 3.71Å; F98-I115 HydrophobicContact CZ-CG1 3.58Å
99S33.2Very low48.4Very low102 Ų10273.1 Ų73.171%0.71341%0.408SS*.  trans-89.3112.5167.4-1750000109.8K101S99-K101 VanDerWaalsContact C-N 3.28Å; S99-K101 PolarHBondContact O-N 3.03Å
100A29.6Very low46.2Very low93 Ų9374.2 Ų74.277%0.76941%0.411SS*.  trans-77.367.3-178.800000112.2
101K28.7Very low43.8Very low173 Ų17379.7 Ų79.775%0.75243%0.431SS*.  trans-113.96.7179.6-83.1-165.9178.1-176.80116.8S99S99-K101 VanDerWaalsContact C-N 3.28Å; S99-K101 PolarHBondContact O-N 3.03Å
102H31Very low41.8Very low181 Ų18179.1 Ų79.184%0.83842%0.417SS*.SBendtrans-129.2124.6177.7-88.4-86.4000115.2
103S31.6Very low40.4Very low110 Ų11079.7 Ų79.777%0.76942%0.42SS*.  trans-51.4146.4-176.2-173.20000115.4R105S103-R105 PolarHBondContact O-N 2.69Å
104L31.1Very low39.5Very low142 Ų14279.9 Ų79.974%0.74342%0.418SS*.THydrogen-bonded Turntrans-69.674.4-171.6-66.3155.3000113.3T107L104-T107 HydrophobicContact CD2-CG2 4.37Å
105R37.8Very low38.9Very low230 Ų23079.1 Ų79.187%0.86841%0.411SS*.THydrogen-bonded Turntrans-140.4-8.5160.9-72.1-164.4177.4-178.6-1.1115.7S103S103-R105 PolarHBondContact O-N 2.69Å
106H41.4Very low38.6Very low92 Ų9279.5 Ų79.543%0.42641%0.414SS..SBendtrans-137.524-178.3-75.8-113.6000112.6C108 Y110 R136H106-C108 PolarHBondContact O-N 2.64Å; H106-Y110 HydrophobicContact CB-CD2 3.79Å; H106-Y110 HydrophobicContact CB-CE2 3.71Å; H106-Y110 VanDerWaalsContact O-CD2 3.3Å; H106-Y110 WeakPolarHBondContact O-CD2 3.25Å; H106-R136 PolarHBondContact CE1-NH1 2.8Å
107T44.2Very low38.9Very low52 Ų5287 Ų8732%0.31944%0.44SS..Hα-helixtrans-76.4-29.8-146.13.80000115.8L104 I109 R111L104-T107 HydrophobicContact CD2-CG2 4.37Å; T107-I109 PolarHBondContact O-N 3.18Å; T107-R111 WeakPolarHBondContact O-CB 3.06Å; T107-R111 PolarHBondContact O-N 3.46Å
108C46.5Very low39.3Very low27 Ų2784.8 Ų84.818%0.18243%0.426CS..Hα-helixtrans-61.6-46.7-173.2540000112.6H106 W112 C180 L182H106-C108 PolarHBondContact O-N 2.64Å; C108-W112 PolarHBondContact O-N 3.32Å; C108-C180 HydrophobicContact CB-CB 3.68Å; C108-C180 WeakPolarHBondContact CB-SG 3.48Å; C108-C180 WeakPolarHBondContact SG-CB 3.43Å; C108-C180 CovalentContact SG-SG 2.05Å; C108-C180 PolarHBondContact SG-SG 2.96Å; C108-L182 HydrophobicContact CB-CD1 4Å
109I48Very low39.8Very low1 Ų188.9 Ų88.91%0.00545%0.454CS..Hα-helixtrans-78.1-43-176-165.6157.4000113.2T107 R111 W112 L113 I126 Y128 I138 L182T107-I109 PolarHBondContact O-N 3.18Å; I109-R111 PolarHBondContact O-N 3.44Å; I109-W112 CarbonylContact O-C 3.57Å; I109-W112 PolarHBondContact O-N 3.4Å; I109-W112 VanDerWaalsContact O-N 3.08Å; I109-L113 HydrophobicContact CG1-CD1 4.15Å; I109-L113 HydrophobicContact CG1-CG 4.21Å; I109-L113 WeakPolarHBondContact O-CB 3.33Å; I109-L113 VanDerWaalsContact O-CG 3.28Å; I109-L113 WeakPolarHBondContact O-CG 3.17Å; I109-L113 PolarHBondContact O-N 2.85Å; I109-I126 HydrophobicContact CD1-CG2 3.86Å; I109-Y128 HydrophobicContact CD1-CD1 3.02Å; I109-Y128 HydrophobicContact CD1-CD2 4.09Å; I109-Y128 HydrophobicContact CD1-CE1 3.39Å; I109-Y128 HydrophobicContact CD1-CE2 4.37Å; I109-Y128 HydrophobicContact CD1-CG 3.38Å; I109-Y128 HydrophobicContact CG1-CD1 4.4Å; I109-Y128 HydrophobicContact CG2-CE1 4.23Å; I109-Y128 HydrophobicContact CG2-CE2 4.11Å; I109-I138 HydrophobicContact CD1-CD1 3.79Å; I109-I138 HydrophobicContact CG1-CD1 4.1Å; I109-I138 HydrophobicContact CG2-CD1 4.19Å; I109-L182 HydrophobicContact CB-CD1 4.45Å; I109-L182 HydrophobicContact CB-CD2 4.1Å; I109-L182 HydrophobicContact CD1-CD2 3.82Å; I109-L182 HydrophobicContact CG1-CD2 3.75Å
110Y43.5Very low40.5Very low106 Ų10689.1 Ų89.142%0.41646%0.456SS..Hα-helixtrans-65.9-32177.8-69.4-69.9000111.4H106 W112 L113 A114H106-Y110 HydrophobicContact CB-CD2 3.79Å; H106-Y110 HydrophobicContact CB-CE2 3.71Å; H106-Y110 VanDerWaalsContact O-CD2 3.3Å; H106-Y110 WeakPolarHBondContact O-CD2 3.25Å; Y110-W112 VanDerWaalsContact C-N 3.34Å; Y110-L113 HydrophobicContact CD1-CD1 4.04Å; Y110-L113 HydrophobicContact CE1-CD1 4.45Å; Y110-A114 PolarHBondContact O-N 3.02Å
111R40.1Very low41.7Very low115 Ų11587.2 Ų87.243%0.43445%0.446SS..Hα-helixtrans-67.6-32.1172.9-171.5171.2-174.8178.30.7112.3F98 T107 I109F98-R111 HydrophobicContact CD1-CG 4.28Å; F98-R111 HydrophobicContact CE1-CG 3.65Å; F98-R111 WeakPolarHBondContact CE1-O 3.4Å; T107-R111 WeakPolarHBondContact O-CB 3.06Å; T107-R111 PolarHBondContact O-N 3.46Å; I109-R111 PolarHBondContact O-N 3.44Å
112W43Very low42.9Very low26 Ų2682.9 Ų82.910%0.09843%0.431CS..Hα-helixtrans-83.7-35.4175.3-170.394.3000113.4C108 I109 Y110 A114 I115 V116 I126 I173 F184C108-W112 PolarHBondContact O-N 3.32Å; I109-W112 CarbonylContact O-C 3.57Å; I109-W112 PolarHBondContact O-N 3.4Å; I109-W112 VanDerWaalsContact O-N 3.08Å; Y110-W112 VanDerWaalsContact C-N 3.34Å; W112-A114 PolarHBondContact O-N 3.33Å; W112-I115 HydrophobicContact CG-CD1 4.43Å; W112-I115 WeakPolarHBondContact O-CA 2.76Å; W112-I115 WeakPolarHBondContact O-CB 3.18Å; W112-I115 PolarHBondContact O-N 2.85Å; W112-V116 HydrophobicContact CD2-CG2 4.07Å; W112-V116 HydrophobicContact CE3-CB 4.28Å; W112-V116 HydrophobicContact CE3-CG2 3.86Å; W112-V116 HydrophobicContact CH2-CB 4.07Å; W112-V116 HydrophobicContact CH2-CG1 4.35Å; W112-V116 HydrophobicContact CH2-CG2 3.31Å; W112-V116 HydrophobicContact CZ2-CG2 3.51Å; W112-V116 HydrophobicContact CZ3-CB 3.84Å; W112-V116 HydrophobicContact CZ3-CG1 4.33Å; W112-V116 HydrophobicContact CZ3-CG2 3.47Å; W112-V116 VanDerWaalsContact CZ3-CG2 3.47Å; W112-V116 PolarHBondContact O-N 3.26Å; W112-I126 HydrophobicContact CE3-CD1 4.32Å; W112-I126 HydrophobicContact CZ3-CD1 3.75Å; W112-I126 HydrophobicContact CZ3-CG1 4.48Å; W112-I173 HydrophobicContact CH2-CB 4.22Å; W112-I173 HydrophobicContact CH2-CG2 4.29Å; W112-I173 HydrophobicContact CZ2-CB 4.06Å; W112-I173 HydrophobicContact CZ2-CG2 3.64Å; W112-F184 HydrophobicContact CB-CE1 4.46Å; W112-F184 AromaticContact CD1-CE1 3.88Å; W112-F184 AromaticContact CD1-CZ 3.71Å; W112-F184 AromaticContact CD2-CD1 3.75Å; W112-F184 HydrophobicContact CD2-CD1 3.75Å; W112-F184 AromaticContact CD2-CE1 3.01Å; W112-F184 HydrophobicContact CD2-CE1 3.01Å; W112-F184 AromaticContact CD2-CZ 3.68Å; W112-F184 HydrophobicContact CD2-CZ 3.68Å; W112-F184 AromaticContact CE2-CD1 3.48Å; W112-F184 VanDerWaalsContact CE2-CD1 3.48Å; W112-F184 AromaticContact CE2-CE1 3Å; W112-F184 AromaticContact CE2-CZ 3.44Å; W112-F184 VanDerWaalsContact CE2-CZ 3.44Å; W112-F184 AromaticContact CE3-CD1 3.65Å; W112-F184 HydrophobicContact CE3-CD1 3.65Å; W112-F184 AromaticContact CE3-CE1 3.25Å; W112-F184 HydrophobicContact CE3-CE1 3.25Å; W112-F184 HydrophobicContact CE3-CZ 4.33Å; W112-F184 AromaticContact CG-CE1 3.59Å; W112-F184 HydrophobicContact CG-CE1 3.59Å; W112-F184 AromaticContact CG-CZ 3.82Å; W112-F184 HydrophobicContact CG-CZ 3.82Å; W112-F184 HydrophobicContact CH2-CB 4.2Å; W112-F184 AromaticContact CH2-CD1 2.96Å; W112-F184 HydrophobicContact CH2-CD1 2.96Å; W112-F184 AromaticContact CH2-CE1 3.42Å; W112-F184 HydrophobicContact CH2-CE1 3.42Å; W112-F184 VanDerWaalsContact CH2-CE1 3.42Å; W112-F184 AromaticContact CH2-CG 3.75Å; W112-F184 HydrophobicContact CH2-CG 3.75Å; W112-F184 HydrophobicContact CH2-CZ 4.48Å; W112-F184 HydrophobicContact CZ2-CB 4.4Å; W112-F184 AromaticContact CZ2-CD1 3.09Å; W112-F184 HydrophobicContact CZ2-CD1 3.09Å; W112-F184 HydrophobicContact CZ2-CD2 4.33Å; W112-F184 AromaticContact CZ2-CE1 3.21Å; W112-F184 HydrophobicContact CZ2-CE1 3.21Å; W112-F184 HydrophobicContact CZ2-CE2 4.45Å; W112-F184 AromaticContact CZ2-CG 3.65Å; W112-F184 HydrophobicContact CZ2-CG 3.65Å; W112-F184 AromaticContact CZ2-CZ 3.88Å; W112-F184 HydrophobicContact CZ2-CZ 3.88Å; W112-F184 AromaticContact CZ3-CD1 3.27Å; W112-F184 HydrophobicContact CZ3-CD1 3.27Å; W112-F184 AromaticContact CZ3-CE1 3.45Å; W112-F184 HydrophobicContact CZ3-CE1 3.45Å; W112-F184 VanDerWaalsContact CZ3-CE1 3.45Å; W112-F184 HydrophobicContact CZ3-CG 4.42Å; W112-F184 AromaticContact NE1-CE1 3.58Å; W112-F184 AromaticContact NE1-CZ 3.48Å
113L47.6Very low44.5Very low12 Ų1277.3 Ų77.36%0.06340%0.402CS..Hα-helixtrans-58-29173.4-79.6173.2000113I109 Y110 I115 V116 L124 I126 I138 P149I109-L113 HydrophobicContact CG1-CD1 4.15Å; I109-L113 HydrophobicContact CG1-CG 4.21Å; I109-L113 WeakPolarHBondContact O-CB 3.33Å; I109-L113 VanDerWaalsContact O-CG 3.28Å; I109-L113 WeakPolarHBondContact O-CG 3.17Å; I109-L113 PolarHBondContact O-N 2.85Å; Y110-L113 HydrophobicContact CD1-CD1 4.04Å; Y110-L113 HydrophobicContact CE1-CD1 4.45Å; L113-I115 PolarHBondContact O-N 2.9Å; L113-V116 PolarHBondContact O-N 3.21Å; L113-L124 HydrophobicContact CD2-CD2 4.37Å; L113-I126 HydrophobicContact CD2-CD1 3.19Å; L113-I126 HydrophobicContact CG-CD1 4.29Å; L113-I138 HydrophobicContact CD1-CD1 3.63Å; L113-I138 HydrophobicContact CD1-CG2 3.95Å; L113-I138 HydrophobicContact CD2-CG2 4.43Å; L113-P149 HydrophobicContact CD1-CB 4.45Å; L113-P149 HydrophobicContact CD2-CB 3.97Å; L113-P149 HydrophobicContact CD2-CG 3.84Å
114A40.6Very low46.2Very low39 Ų3972.5 Ų72.532%0.32237%0.368SS..THydrogen-bonded Turntrans-64.7-26.6172.200000113.2Y110 W112Y110-A114 PolarHBondContact O-N 3.02Å; W112-A114 PolarHBondContact O-N 3.33Å
115I41.8Very low48Very low32 Ų3265.9 Ų65.916%0.16433%0.333CS..THydrogen-bonded Turntrans-81.1-35.3-179.9-51.9174.5000110.6P94 L95 F98 W112 L113P94-I115 WeakPolarHBondContact O-CA 3.31Å; P94-I115 VanDerWaalsContact O-CG2 3.3Å; P94-I115 WeakPolarHBondContact O-CG2 3.5Å; L95-I115 HydrophobicContact CD2-CG2 4.18Å; F98-I115 HydrophobicContact CE1-CG1 4.34Å; F98-I115 HydrophobicContact CE2-CD1 4.44Å; F98-I115 HydrophobicContact CE2-CG1 4.06Å; F98-I115 HydrophobicContact CZ-CD1 3.71Å; F98-I115 HydrophobicContact CZ-CG1 3.58Å; W112-I115 HydrophobicContact CG-CD1 4.43Å; W112-I115 WeakPolarHBondContact O-CA 2.76Å; W112-I115 WeakPolarHBondContact O-CB 3.18Å; W112-I115 PolarHBondContact O-N 2.85Å; L113-I115 PolarHBondContact O-N 2.9Å
116V40.9Very low49.5Very low19 Ų1955 Ų5512%0.11529%0.293CS..  trans-103.487.5-175.6-176.80000110.2W112 L113 P118 L124 I173W112-V116 HydrophobicContact CD2-CG2 4.07Å; W112-V116 HydrophobicContact CE3-CB 4.28Å; W112-V116 HydrophobicContact CE3-CG2 3.86Å; W112-V116 HydrophobicContact CH2-CB 4.07Å; W112-V116 HydrophobicContact CH2-CG1 4.35Å; W112-V116 HydrophobicContact CH2-CG2 3.31Å; W112-V116 HydrophobicContact CZ2-CG2 3.51Å; W112-V116 HydrophobicContact CZ3-CB 3.84Å; W112-V116 HydrophobicContact CZ3-CG1 4.33Å; W112-V116 HydrophobicContact CZ3-CG2 3.47Å; W112-V116 VanDerWaalsContact CZ3-CG2 3.47Å; W112-V116 PolarHBondContact O-N 3.26Å; L113-V116 PolarHBondContact O-N 3.21Å; V116-P118 WeakPolarHBondContact O-CD 3.41Å; V116-L124 HydrophobicContact CG1-CD1 4.35Å; V116-I173 HydrophobicContact CB-CD1 4.47Å; V116-I173 HydrophobicContact CG1-CD1 3.76Å; V116-I173 HydrophobicContact CG2-CD1 3.82Å
117R47.5Very low51Low168 Ų16850.7 Ų50.763%0.63427%0.273SS*.  trans-86.3112.8159.7-66.2-169.2-173.9-168.52.4107.9T119R117-T119 PolarHBondContact O-N 2.87Å
118P43.6Very low52.4Low25 Ų2548.8 Ų48.816%0.16226%0.26CS..  trans-61.1125.9173.325.1-29.8000107.9V116 L124V116-P118 WeakPolarHBondContact O-CD 3.41Å; P118-L124 HydrophobicContact CB-CB 4.22Å; P118-L124 HydrophobicContact CG-CB 3.9Å; P118-L124 HydrophobicContact CG-CD2 4.13Å
119T44.8Very low53.5Low121 Ų12147.9 Ų47.974%0.74225%0.254SS*.  trans-61.7139.9168.348.30000108.1R117 G121R117-T119 PolarHBondContact O-N 2.87Å; T119-G121 PolarHBondContact O-N 3.13Å
120S46.9Very low54.9Low107 Ų10749 Ų4975%0.74826%0.261SS*.THydrogen-bonded Turntrans-41.2132.4-17352.90000113.3
121G54.4Low56.5Low54 Ų5448.2 Ų48.256%0.55727%0.272SS*.THydrogen-bonded Turntrans115.6-6165.700000117T119T119-G121 PolarHBondContact O-N 3.13Å
122N55.3Low58.3Low82 Ų8245.8 Ų45.844%0.43928%0.276SS..SBendtrans-126146.5175.8-72.3-67.8000112.1K187N122-K187 WeakPolarHBondContact OD1-CE 3.47Å; N122-K187 PolarHBondContact OD1-NZ 3.05Å
123W63.6Low59.9Low63 Ų6344.6 Ų44.624%0.23927%0.272CS..  trans-63.3135.6167.6-78.586.3000109.6Q140 H141 P142 M213W123-Q140 WeakPolarHBondContact CA-O 3.36Å; W123-H141 AromaticContact CE2-CD2 3.59Å; W123-H141 HydrophobicContact CH2-CB 4.31Å; W123-H141 AromaticContact CH2-CD2 3.34Å; W123-H141 WeakPolarHBondContact CH2-CD2 3.42Å; W123-H141 AromaticContact CZ2-CD2 3.06Å; W123-H141 WeakPolarHBondContact CZ2-CD2 3.09Å; W123-H141 AromaticContact CZ2-NE2 3.61Å; W123-H141 HydrophobicContact CZ3-CB 4.25Å; W123-P142 HydrophobicContact CG-CG 4.23Å; W123-M213 HydrophobicContact CE3-CG 4.49Å; W123-M213 HydrophobicContact CH2-CB 3.87Å; W123-M213 HydrophobicContact CH2-CG 3.82Å; W123-M213 HydrophobicContact CH2-SD 3.36Å; W123-M213 WeakPolarHBondContact CH2-SD 3.47Å; W123-M213 HydrophobicContact CZ2-CB 4.1Å; W123-M213 HydrophobicContact CZ2-SD 4.39Å; W123-M213 HydrophobicContact CZ3-CB 4.19Å; W123-M213 HydrophobicContact CZ3-CG 3.81Å; W123-M213 HydrophobicContact CZ3-SD 3.61Å
124L68.4Low61.5Low10 Ų1045 Ų455%0.05227%0.274CS..EExtended strand (participates in β ladder)trans-100.8129.1162.117370.2000107.3L113 V116 P118 I126 A139 Q140 P149 A186L113-L124 HydrophobicContact CD2-CD2 4.37Å; V116-L124 HydrophobicContact CG1-CD1 4.35Å; P118-L124 HydrophobicContact CB-CB 4.22Å; P118-L124 HydrophobicContact CG-CB 3.9Å; P118-L124 HydrophobicContact CG-CD2 4.13Å; L124-I126 HydrophobicContact CD1-CD1 3.97Å; L124-I126 HydrophobicContact CD1-CG1 3.94Å; L124-I126 HydrophobicContact CD2-CD1 4.08Å; L124-I126 HydrophobicContact CG-CD1 4.12Å; L124-I126 HydrophobicContact CG-CG1 4.27Å; L124-A139 CarbonylContact O-C 3.51Å; L124-A139 WeakPolarHBondContact O-CA 3.19Å; L124-Q140 HydrophobicContact CB-CB 4.15Å; L124-Q140 PolarHBondContact N-O 2.82Å; L124-Q140 PolarHBondContact O-N 3.08Å; L124-P149 HydrophobicContact CD2-CB 4.33Å; L124-P149 HydrophobicContact CD2-CG 3.71Å; L124-A186 HydrophobicContact CD1-CB 4.14Å
125E67.5Low63.3Low2 Ų243.1 Ų43.11%0.00926%0.259CS..EExtended strand (participates in β ladder)trans-131.2143.8168.7-67.4174.8147.100106.5I138 A139 L185 A186 R209 M213 I214E125-I138 CarbonylContact C-O 3.15Å; E125-I138 VanDerWaalsContact CA-O 3.26Å; E125-I138 WeakPolarHBondContact CA-O 3.49Å; E125-A139 HydrophobicContact CG-CB 4.11Å; E125-L185 CarbonylContact C-O 3.53Å; E125-L185 CarbonylContact O-C 3.51Å; E125-L185 VanDerWaalsContact O-C 3.26Å; E125-A186 WeakPolarHBondContact O-CA 2.97Å; E125-A186 PolarHBondContact O-N 3.4Å; E125-R209 IonicContact OE1-CZ 3.74Å; E125-R209 IonicContact OE1-NH1 3.17Å; E125-R209 PolarHBondContact OE1-NH1 3.48Å; E125-R209 IonicContact OE2-CZ 3.61Å; E125-R209 IonicContact OE2-NH1 3.06Å; E125-R209 PolarHBondContact OE2-NH1 2.93Å; E125-R209 IonicContact OE2-NH2 2.61Å; E125-R209 PolarHBondContact OE2-NH2 3.21Å; E125-M213 WeakPolarHBondContact OE1-CA 3.21Å; E125-I214 PolarHBondContact OE1-N 3.49Å; E125-I214 VanDerWaalsContact OE1-N 3.15Å
126I71.1Confident65Low3 Ų344.5 Ų44.52%0.01526%0.262CS..EExtended strand (participates in β ladder)trans-143.4123178.4-62161.1000107.6I109 W112 L113 L124 I137 I138I109-I126 HydrophobicContact CD1-CG2 3.86Å; W112-I126 HydrophobicContact CE3-CD1 4.32Å; W112-I126 HydrophobicContact CZ3-CD1 3.75Å; W112-I126 HydrophobicContact CZ3-CG1 4.48Å; L113-I126 HydrophobicContact CD2-CD1 3.19Å; L113-I126 HydrophobicContact CG-CD1 4.29Å; L124-I126 HydrophobicContact CD1-CD1 3.97Å; L124-I126 HydrophobicContact CD1-CG1 3.94Å; L124-I126 HydrophobicContact CD2-CD1 4.08Å; L124-I126 HydrophobicContact CG-CD1 4.12Å; L124-I126 HydrophobicContact CG-CG1 4.27Å; I126-I137 CarbonylContact O-C 3.57Å; I126-I137 VanDerWaalsContact O-CA 3.27Å; I126-I137 WeakPolarHBondContact O-CA 3.4Å; I126-I138 PolarHBondContact N-O 3.15Å; I126-I138 PolarHBondContact O-N 3.02Å
127A71.7Confident66.6Low1 Ų143.8 Ų43.81%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-103.2134.2172.400000110.5V135 R136 I137 I165 L167 S183A127-V135 HydrophobicContact CB-CG1 4.11Å; A127-R136 CarbonylContact C-O 3.41Å; A127-R136 VanDerWaalsContact CA-O 3.31Å; A127-R136 WeakPolarHBondContact CA-O 3.4Å; A127-I137 HydrophobicContact CB-CG1 4.28Å; A127-I165 HydrophobicContact CB-CG2 4.12Å; A127-L167 HydrophobicContact CB-CD1 3.86Å; A127-S183 PolarHBondContact O-OG 2.92Å
128Y73Confident68Low12 Ų1235.8 Ų35.85%0.04723%0.228CC..EExtended strand (participates in β ladder)trans-142.3150.617770.3-77000112.3I109 T130 V135 R136 I138I109-Y128 HydrophobicContact CD1-CD1 3.02Å; I109-Y128 HydrophobicContact CD1-CD2 4.09Å; I109-Y128 HydrophobicContact CD1-CE1 3.39Å; I109-Y128 HydrophobicContact CD1-CE2 4.37Å; I109-Y128 HydrophobicContact CD1-CG 3.38Å; I109-Y128 HydrophobicContact CG1-CD1 4.4Å; I109-Y128 HydrophobicContact CG2-CE1 4.23Å; I109-Y128 HydrophobicContact CG2-CE2 4.11Å; Y128-T130 HydrophobicContact CE2-CG2 4.3Å; Y128-V135 CarbonylContact O-C 3.41Å; Y128-V135 VanDerWaalsContact O-CA 3.3Å; Y128-V135 WeakPolarHBondContact O-CA 3.27Å; Y128-R136 HydrophobicContact CD1-CB 3.77Å; Y128-R136 WeakPolarHBondContact CD1-O 3.49Å; Y128-R136 HydrophobicContact CE1-CB 3.21Å; Y128-R136 HydrophobicContact CE1-CG 4.32Å; Y128-R136 HydrophobicContact CE2-CB 4.1Å; Y128-R136 HydrophobicContact CG-CB 4.45Å; Y128-R136 VanDerWaalsContact CZ-CB 3.43Å; Y128-R136 PolarHBondContact N-O 2.89Å; Y128-R136 PolarHBondContact O-N 2.65Å; Y128-R136 WeakPolarHBondContact OH-CD 3.28Å; Y128-I138 HydrophobicContact CD1-CD1 4.44Å; Y128-I138 HydrophobicContact CE1-CD1 3.66Å; Y128-I138 HydrophobicContact CE1-CG1 3.94Å
129G71.5Confident69.5Low7 Ų735 Ų357%0.07222%0.223CC..EExtended strand (participates in β ladder)trans-87.7152.7-178.100000112T134 S181G129-T134 CarbonylContact C-O 3.53Å; G129-S181 PolarHBondContact N-O 3.19Å
130T75.4Confident70.7Confident24 Ų2429.6 Ų29.615%0.14719%0.19CC..  trans-119.1161.2173.663.60000110.8Y128 A132 G133 T134 R136 R161 V162Y128-T130 HydrophobicContact CE2-CG2 4.3Å; T130-A132 PolarHBondContact O-N 3.41Å; T130-G133 PolarHBondContact O-N 3.35Å; T130-T134 WeakPolarHBondContact CG2-OG1 3.47Å; T130-T134 PolarHBondContact N-O 3.21Å; T130-T134 WeakPolarHBondContact OG1-CA 3.31Å; T130-T134 WeakPolarHBondContact OG1-CB 3.32Å; T130-T134 PolarHBondContact OG1-N 3.02Å; T130-T134 PolarHBondContact OG1-O 3.24Å; T130-T134 PolarHBondContact OG1-OG1 3.21Å; T130-R136 HydrophobicContact CG2-CG 4.27Å; T130-R161 WeakPolarHBondContact O-CA 3.1Å; T130-V162 PolarHBondContact O-N 3.49Å
131S78Confident72Confident91 Ų9127.2 Ų27.264%0.63617%0.167SC*.THydrogen-bonded Turntrans-60.5-24.1172.550.40000113.7G133 R161S131-G133 VanDerWaalsContact C-N 3.3Å; S131-G133 PolarHBondContact O-N 2.73Å; S131-R161 WeakPolarHBondContact O-CA 3.3Å; S131-R161 PolarHBondContact O-N 2.84Å
132A78.5Confident72.7Confident64 Ų6426.1 Ų26.153%0.52915%0.15SC..THydrogen-bonded Turntrans-86.89.8179.100000114.1T130 T134T130-A132 PolarHBondContact O-N 3.41Å; A132-T134 VanDerWaalsContact C-N 3.26Å; A132-T134 PolarHBondContact O-N 3.03Å
133G77Confident73.7Confident0 Ų030.3 Ų30.30%017%0.167CC..SBendtrans75.413.9-17900000114.9T130 S131 V157 H158 S160T130-G133 PolarHBondContact O-N 3.35Å; S131-G133 VanDerWaalsContact C-N 3.3Å; S131-G133 PolarHBondContact O-N 2.73Å; G133-V157 WeakPolarHBondContact O-CG2 3.42Å; G133-V157 PolarHBondContact O-N 2.89Å; G133-H158 CarbonylContact C-O 3.59Å; G133-H158 WeakPolarHBondContact CA-O 3.36Å; G133-H158 PolarHBondContact O-N 3.21Å; G133-S160 WeakPolarHBondContact CA-O 3.05Å; G133-S160 PolarHBondContact N-O 3.06Å
134T80.3Confident74.1Confident20 Ų2029.5 Ų29.512%0.12317%0.169CC..EExtended strand (participates in β ladder)trans-94.6143.9173.6760000111.5G129 T130 A132 F155G129-T134 CarbonylContact C-O 3.53Å; T130-T134 WeakPolarHBondContact CG2-OG1 3.47Å; T130-T134 PolarHBondContact N-O 3.21Å; T130-T134 WeakPolarHBondContact OG1-CA 3.31Å; T130-T134 WeakPolarHBondContact OG1-CB 3.32Å; T130-T134 PolarHBondContact OG1-N 3.02Å; T130-T134 PolarHBondContact OG1-O 3.24Å; T130-T134 PolarHBondContact OG1-OG1 3.21Å; A132-T134 VanDerWaalsContact C-N 3.26Å; A132-T134 PolarHBondContact O-N 3.03Å; T134-F155 CarbonylContact C-O 3.57Å; T134-F155 WeakPolarHBondContact CA-O 3.09Å; T134-F155 WeakPolarHBondContact CB-O 3.28Å
135V77.7Confident73.8Confident1 Ų130.9 Ų30.91%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-103.5133.2163.6170.80000109.4A127 Y128 T154 F155 V157 V162 I165 F192 T194A127-V135 HydrophobicContact CB-CG1 4.11Å; Y128-V135 CarbonylContact O-C 3.41Å; Y128-V135 VanDerWaalsContact O-CA 3.3Å; Y128-V135 WeakPolarHBondContact O-CA 3.27Å; V135-T154 CarbonylContact O-C 3.52Å; V135-T154 WeakPolarHBondContact O-CA 3.01Å; V135-F155 PolarHBondContact N-O 3.22Å; V135-F155 PolarHBondContact O-N 3.36Å; V135-V157 HydrophobicContact CB-CG2 4.45Å; V135-V157 HydrophobicContact CG2-CG1 4.44Å; V135-V157 HydrophobicContact CG2-CG2 3.71Å; V135-V162 HydrophobicContact CG2-CG1 4.13Å; V135-V162 HydrophobicContact CG2-CG2 4.18Å; V135-I165 HydrophobicContact CB-CD1 4.22Å; V135-I165 HydrophobicContact CG1-CD1 3.83Å; V135-I165 HydrophobicContact CG2-CD1 3.42Å; V135-I165 VanDerWaalsContact CG2-CD1 3.42Å; V135-I165 HydrophobicContact CG2-CG1 3.94Å; V135-F192 HydrophobicContact CB-CE2 4.33Å; V135-F192 HydrophobicContact CB-CZ 3.73Å; V135-F192 HydrophobicContact CG1-CE2 3.91Å; V135-F192 HydrophobicContact CG1-CZ 3.72Å; V135-F192 HydrophobicContact CG2-CE2 3.99Å; V135-F192 HydrophobicContact CG2-CZ 3.51Å; V135-T194 HydrophobicContact CG2-CG2 4.02Å
136R78Confident73.4Confident60 Ų6033.3 Ų33.323%0.22621%0.207CC..EExtended strand (participates in β ladder)trans-115.8134.1179.6-70.7-177.6175.6-145.20.8108.6H106 A127 Y128 T130 L151 Q153 T154H106-R136 PolarHBondContact CE1-NH1 2.8Å; A127-R136 CarbonylContact C-O 3.41Å; A127-R136 VanDerWaalsContact CA-O 3.31Å; A127-R136 WeakPolarHBondContact CA-O 3.4Å; Y128-R136 HydrophobicContact CD1-CB 3.77Å; Y128-R136 WeakPolarHBondContact CD1-O 3.49Å; Y128-R136 HydrophobicContact CE1-CB 3.21Å; Y128-R136 HydrophobicContact CE1-CG 4.32Å; Y128-R136 HydrophobicContact CE2-CB 4.1Å; Y128-R136 HydrophobicContact CG-CB 4.45Å; Y128-R136 VanDerWaalsContact CZ-CB 3.43Å; Y128-R136 PolarHBondContact N-O 2.89Å; Y128-R136 PolarHBondContact O-N 2.65Å; Y128-R136 WeakPolarHBondContact OH-CD 3.28Å; T130-R136 HydrophobicContact CG2-CG 4.27Å; R136-L151 HydrophobicContact CB-CD1 3.87Å; R136-L151 HydrophobicContact CG-CD1 4.24Å; R136-Q153 WeakPolarHBondContact CA-O 3.32Å; R136-T154 HydrophobicContact CG-CG2 3.87Å
137I75.3Confident73.3Confident4 Ų437.8 Ų37.82%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-109.4124.1177.2-55.8-166.5000107.8I126 A127 F152 Q153 F155 I214I126-I137 CarbonylContact O-C 3.57Å; I126-I137 VanDerWaalsContact O-CA 3.27Å; I126-I137 WeakPolarHBondContact O-CA 3.4Å; A127-I137 HydrophobicContact CB-CG1 4.28Å; I137-F152 HydrophobicContact CG2-CB 4.43Å; I137-F152 HydrophobicContact CG2-CD1 4.25Å; I137-F152 WeakPolarHBondContact O-CA 3.26Å; I137-F152 WeakPolarHBondContact O-CB 3.34Å; I137-F152 PolarHBondContact O-N 2.79Å; I137-Q153 HydrophobicContact CB-CB 4.38Å; I137-Q153 PolarHBondContact N-O 3.19Å; I137-Q153 PolarHBondContact O-N 3.21Å; I137-Q153 VanDerWaalsContact O-N 3.11Å; I137-F155 HydrophobicContact CD1-CD2 4.3Å; I137-F155 HydrophobicContact CD1-CE2 3.5Å; I137-F155 HydrophobicContact CD1-CZ 4.35Å; I137-F155 HydrophobicContact CG1-CE2 4.06Å; I137-I214 HydrophobicContact CD1-CD1 3.51Å; I137-I214 HydrophobicContact CD1-CG2 4.34Å; I137-I214 HydrophobicContact CG2-CD1 4.43Å
138I76.3Confident73Confident0 Ų042.7 Ų42.70%026%0.26CS..EExtended strand (participates in β ladder)trans-107.4132.9172-63.9176.3000106.7I109 L113 E125 I126 Y128 P149 K150 L151I109-I138 HydrophobicContact CD1-CD1 3.79Å; I109-I138 HydrophobicContact CG1-CD1 4.1Å; I109-I138 HydrophobicContact CG2-CD1 4.19Å; L113-I138 HydrophobicContact CD1-CD1 3.63Å; L113-I138 HydrophobicContact CD1-CG2 3.95Å; L113-I138 HydrophobicContact CD2-CG2 4.43Å; E125-I138 CarbonylContact C-O 3.15Å; E125-I138 VanDerWaalsContact CA-O 3.26Å; E125-I138 WeakPolarHBondContact CA-O 3.49Å; I126-I138 PolarHBondContact N-O 3.15Å; I126-I138 PolarHBondContact O-N 3.02Å; Y128-I138 HydrophobicContact CD1-CD1 4.44Å; Y128-I138 HydrophobicContact CE1-CD1 3.66Å; Y128-I138 HydrophobicContact CE1-CG1 3.94Å; I138-P149 HydrophobicContact CG2-CB 3.37Å; I138-K150 CarbonylContact C-O 3.52Å; I138-K150 VanDerWaalsContact CA-O 3.26Å; I138-K150 WeakPolarHBondContact CA-O 3.24Å; I138-K150 WeakPolarHBondContact CG2-O 3.15Å; I138-L151 HydrophobicContact CG1-CD1 4.24Å
139A74.1Confident73Confident9 Ų942.9 Ų42.97%0.07426%0.263CS..EExtended strand (participates in β ladder)trans-131.1155.7179.400000112.2L124 E125 K150 F152L124-A139 CarbonylContact O-C 3.51Å; L124-A139 WeakPolarHBondContact O-CA 3.19Å; E125-A139 HydrophobicContact CG-CB 4.11Å; A139-K150 PolarHBondContact N-O 2.65Å; A139-K150 PolarHBondContact O-N 3.03Å; A139-F152 HydrophobicContact CB-CB 3.72Å; A139-F152 HydrophobicContact CB-CD2 4.39Å; A139-F152 HydrophobicContact CB-CG 4.01Å
140Q71.9Confident73.2Confident7 Ų749.1 Ų49.13%0.03329%0.288CS..EExtended strand (participates in β ladder)trans-140.6128170.8179.1175.929.100109.4W123 L124 T144 Q147 P149W123-Q140 WeakPolarHBondContact CA-O 3.36Å; L124-Q140 HydrophobicContact CB-CB 4.15Å; L124-Q140 PolarHBondContact N-O 2.82Å; L124-Q140 PolarHBondContact O-N 3.08Å; Q140-T144 PolarHBondContact NE2-O 2.98Å; Q140-Q147 PolarHBondContact NE2-O 2.77Å; Q140-P149 HydrophobicContact CB-CB 4.15Å; Q140-P149 HydrophobicContact CB-CG 4.15Å
141H73.2Confident73.4Confident58 Ų5851.5 Ų51.527%0.26930%0.299SS..  trans-71.9145.7174.8-166.5-89.9000109.9W123 E143 T144 A145W123-H141 AromaticContact CE2-CD2 3.59Å; W123-H141 HydrophobicContact CH2-CB 4.31Å; W123-H141 AromaticContact CH2-CD2 3.34Å; W123-H141 WeakPolarHBondContact CH2-CD2 3.42Å; W123-H141 AromaticContact CZ2-CD2 3.06Å; W123-H141 WeakPolarHBondContact CZ2-CD2 3.09Å; W123-H141 AromaticContact CZ2-NE2 3.61Å; W123-H141 HydrophobicContact CZ3-CB 4.25Å; H141-E143 VanDerWaalsContact CE1-CG 3.47Å; H141-E143 WeakPolarHBondContact CE1-CG 3.45Å; H141-E143 IonicContact CE1-OE1 3.34Å; H141-E143 IonicContact CE1-OE2 3.47Å; H141-E143 VanDerWaalsContact ND1-CB 3.29Å; H141-E143 WeakPolarHBondContact ND1-CB 3.34Å; H141-E143 WeakPolarHBondContact ND1-CG 3.06Å; H141-E143 PolarHBondContact ND1-N 2.92Å; H141-E143 IonicContact ND1-OE2 3.38Å; H141-E143 PolarHBondContact O-N 2.78Å; H141-T144 HydrophobicContact CB-CG2 4.42Å; H141-T144 PolarHBondContact N-OG1 2.96Å; H141-T144 CarbonylContact O-C 3.58Å; H141-T144 PolarHBondContact O-N 2.85Å; H141-T144 PolarHBondContact O-OG1 2.76Å; H141-T144 VanDerWaalsContact O-OG1 3.07Å; H141-A145 PolarHBondContact O-N 2.8Å
142P68.7Low73.4Confident31 Ų3150.4 Ų50.420%0.20128%0.283CS..G310 helixtrans-50.3-41.3172.7-24.827.7000113.8W123 T144 A145W123-P142 HydrophobicContact CG-CG 4.23Å; P142-T144 PolarHBondContact O-N 3.35Å; P142-A145 WeakPolarHBondContact O-CB 3.36Å; P142-A145 PolarHBondContact O-N 3.19Å; P142-A145 VanDerWaalsContact O-N 3.13Å
143E75.9Confident73.4Confident170 Ų17049.4 Ų49.479%0.79427%0.267SS*.G310 helixtrans-68.9-17.9179-62.8168.8-17300113.5H141H141-E143 VanDerWaalsContact CE1-CG 3.47Å; H141-E143 WeakPolarHBondContact CE1-CG 3.45Å; H141-E143 IonicContact CE1-OE1 3.34Å; H141-E143 IonicContact CE1-OE2 3.47Å; H141-E143 VanDerWaalsContact ND1-CB 3.29Å; H141-E143 WeakPolarHBondContact ND1-CB 3.34Å; H141-E143 WeakPolarHBondContact ND1-CG 3.06Å; H141-E143 PolarHBondContact ND1-N 2.92Å; H141-E143 IonicContact ND1-OE2 3.38Å; H141-E143 PolarHBondContact O-N 2.78Å
144T72.9Confident73.6Confident45 Ų4552.1 Ų52.128%0.27628%0.284SS..G310 helixtrans-102.514.6174.562.60000112.1Q140 H141 P142 G146 Q147Q140-T144 PolarHBondContact NE2-O 2.98Å; H141-T144 HydrophobicContact CB-CG2 4.42Å; H141-T144 PolarHBondContact N-OG1 2.96Å; H141-T144 CarbonylContact O-C 3.58Å; H141-T144 PolarHBondContact O-N 2.85Å; H141-T144 PolarHBondContact O-OG1 2.76Å; H141-T144 VanDerWaalsContact O-OG1 3.07Å; P142-T144 PolarHBondContact O-N 3.35Å; T144-G146 PolarHBondContact O-N 3.46Å; T144-Q147 WeakPolarHBondContact O-CB 3.47Å; T144-Q147 PolarHBondContact O-N 3.29Å
145A61.5Low73.6Confident40 Ų4051.3 Ų51.333%0.33128%0.279SS..THydrogen-bonded Turntrans-53.7111.6173.300000110.1H141 P142H141-A145 PolarHBondContact O-N 2.8Å; P142-A145 WeakPolarHBondContact O-CB 3.36Å; P142-A145 PolarHBondContact O-N 3.19Å; P142-A145 VanDerWaalsContact O-N 3.13Å
146G60.5Low73.9Confident53 Ų5356.4 Ų56.455%0.54631%0.31SS..THydrogen-bonded Turntrans118.5-23.2-17400000114.3T144T144-G146 PolarHBondContact O-N 3.46Å
147Q69Low74.1Confident97 Ų9753.6 Ų53.645%0.45330%0.3SS..SBendtrans-77.4158.8166.5-62.1-175.2500110.5Q140 T144Q140-Q147 PolarHBondContact NE2-O 2.77Å; T144-Q147 WeakPolarHBondContact O-CB 3.47Å; T144-Q147 PolarHBondContact O-N 3.29Å
148P64.5Low74.3Confident103 Ų10353.6 Ų53.667%0.66930%0.299SS*.PPolyproline II helixtrans-65.5136.9171.126.3-33.3000110.5
149P72Confident74.7Confident17 Ų1765.2 Ų65.211%0.1134%0.343CS..PPolyproline II helixtrans-57.2141.7172.4-29.340.6000111.4L113 L124 I138 Q140L113-P149 HydrophobicContact CD1-CB 4.45Å; L113-P149 HydrophobicContact CD2-CB 3.97Å; L113-P149 HydrophobicContact CD2-CG 3.84Å; L124-P149 HydrophobicContact CD2-CB 4.33Å; L124-P149 HydrophobicContact CD2-CG 3.71Å; I138-P149 HydrophobicContact CG2-CB 3.37Å; Q140-P149 HydrophobicContact CB-CB 4.15Å; Q140-P149 HydrophobicContact CB-CG 4.15Å
150K75.7Confident74.8Confident137 Ų13766.1 Ų66.160%0.59635%0.349SS*.EExtended strand (participates in β ladder)trans-107.3144.6-173.4-65.9-177.2-178.2176.10110.5I138 A139 F152I138-K150 CarbonylContact C-O 3.52Å; I138-K150 VanDerWaalsContact CA-O 3.26Å; I138-K150 WeakPolarHBondContact CA-O 3.24Å; I138-K150 WeakPolarHBondContact CG2-O 3.15Å; A139-K150 PolarHBondContact N-O 2.65Å; A139-K150 PolarHBondContact O-N 3.03Å; K150-F152 PolarHBondContact O-N 3.08Å
151L80.5Confident75.2Confident74 Ų7472.5 Ų72.539%0.38737%0.373SS..EExtended strand (participates in β ladder)trans-58.5116.6167.4-176.870.2000108.1R136 I138R136-L151 HydrophobicContact CB-CD1 3.87Å; R136-L151 HydrophobicContact CG-CD1 4.24Å; I138-L151 HydrophobicContact CG1-CD1 4.24Å
152F77.2Confident75Confident68 Ų6869.8 Ų69.830%0.29836%0.361SS..EExtended strand (participates in β ladder)trans-96.3-47.1-176.3177.5-101.3000110.8I137 A139 K150 M213 I214I137-F152 HydrophobicContact CG2-CB 4.43Å; I137-F152 HydrophobicContact CG2-CD1 4.25Å; I137-F152 WeakPolarHBondContact O-CA 3.26Å; I137-F152 WeakPolarHBondContact O-CB 3.34Å; I137-F152 PolarHBondContact O-N 2.79Å; A139-F152 HydrophobicContact CB-CB 3.72Å; A139-F152 HydrophobicContact CB-CD2 4.39Å; A139-F152 HydrophobicContact CB-CG 4.01Å; K150-F152 PolarHBondContact O-N 3.08Å; F152-M213 HydrophobicContact CD2-SD 3.99Å; F152-M213 HydrophobicContact CE1-CG 4.3Å; F152-M213 HydrophobicContact CE2-CE 3.55Å; F152-M213 HydrophobicContact CE2-CG 4.04Å; F152-M213 HydrophobicContact CE2-SD 3.24Å; F152-M213 WeakPolarHBondContact CE2-SD 3.38Å; F152-M213 HydrophobicContact CZ-CE 3.55Å; F152-M213 HydrophobicContact CZ-CG 3.84Å; F152-M213 HydrophobicContact CZ-SD 3.58Å; F152-M213 VanDerWaalsContact CZ-SD 3.58Å; F152-I214 HydrophobicContact CE1-CB 4.31Å; F152-I214 WeakPolarHBondContact CE1-O 2.99Å; F152-I214 WeakPolarHBondContact CZ-O 3.14Å
153Q79.3Confident75Confident43 Ų4369.6 Ų69.620%0.20136%0.36CS..EExtended strand (participates in β ladder)trans-149.5157.8179.7-137.8161.4-0.400112.6R136 I137 F155R136-Q153 WeakPolarHBondContact CA-O 3.32Å; I137-Q153 HydrophobicContact CB-CB 4.38Å; I137-Q153 PolarHBondContact N-O 3.19Å; I137-Q153 PolarHBondContact O-N 3.21Å; I137-Q153 VanDerWaalsContact O-N 3.11Å; Q153-F155 HydrophobicContact CB-CE1 3.96Å; Q153-F155 HydrophobicContact CB-CE2 4.22Å; Q153-F155 HydrophobicContact CB-CZ 3.67Å; Q153-F155 HydrophobicContact CG-CD1 4.21Å; Q153-F155 HydrophobicContact CG-CE1 3.28Å; Q153-F155 HydrophobicContact CG-CE2 4.41Å; Q153-F155 HydrophobicContact CG-CZ 3.45Å; Q153-F155 VanDerWaalsContact CG-CZ 3.45Å
154T81.7Confident74.8Confident58 Ų5863.8 Ų63.836%0.35633%0.331SS..EExtended strand (participates in β ladder)trans-137.8131.8174.3-620000108.7V135 R136V135-T154 CarbonylContact O-C 3.52Å; V135-T154 WeakPolarHBondContact O-CA 3.01Å; R136-T154 HydrophobicContact CG-CG2 3.87Å
155F78.9Confident74.8Confident3 Ų362.2 Ų62.21%0.01332%0.32CS..EExtended strand (participates in β ladder)trans-129129.4-177-50.1-53.1000109.9T134 V135 I137 Q153 V157 Q217 P218T134-F155 CarbonylContact C-O 3.57Å; T134-F155 WeakPolarHBondContact CA-O 3.09Å; T134-F155 WeakPolarHBondContact CB-O 3.28Å; V135-F155 PolarHBondContact N-O 3.22Å; V135-F155 PolarHBondContact O-N 3.36Å; I137-F155 HydrophobicContact CD1-CD2 4.3Å; I137-F155 HydrophobicContact CD1-CE2 3.5Å; I137-F155 HydrophobicContact CD1-CZ 4.35Å; I137-F155 HydrophobicContact CG1-CE2 4.06Å; Q153-F155 HydrophobicContact CB-CE1 3.96Å; Q153-F155 HydrophobicContact CB-CE2 4.22Å; Q153-F155 HydrophobicContact CB-CZ 3.67Å; Q153-F155 HydrophobicContact CG-CD1 4.21Å; Q153-F155 HydrophobicContact CG-CE1 3.28Å; Q153-F155 HydrophobicContact CG-CE2 4.41Å; Q153-F155 HydrophobicContact CG-CZ 3.45Å; Q153-F155 VanDerWaalsContact CG-CZ 3.45Å; F155-V157 HydrophobicContact CB-CG1 4.09Å; F155-V157 PolarHBondContact O-N 3.39Å; F155-Q217 HydrophobicContact CD1-CG 3.91Å; F155-Q217 HydrophobicContact CE1-CB 4.11Å; F155-Q217 HydrophobicContact CE1-CG 3.92Å; F155-P218 HydrophobicContact CB-CG 4.25Å; F155-P218 HydrophobicContact CD1-CG 4.02Å; F155-P218 HydrophobicContact CD2-CG 4.24Å; F155-P218 HydrophobicContact CE1-CG 4.35Å; F155-P218 HydrophobicContact CG-CG 3.92Å; F155-P218 VanDerWaalsContact CZ-CD 3.49Å
156T84.8Confident75.3Confident107 Ų10760.9 Ų60.966%0.65631%0.31SS*.EExtended strand (participates in β ladder)trans-82.3112.8166.5-54.70000108.2
157V81.5Confident75.4Confident1 Ų158.8 Ų58.81%0.00629%0.286CS..  trans-110.7-23.9-175.8-66.90000112.1G133 V135 F155 V162 F192 T194 R203 W205G133-V157 WeakPolarHBondContact O-CG2 3.42Å; G133-V157 PolarHBondContact O-N 2.89Å; V135-V157 HydrophobicContact CB-CG2 4.45Å; V135-V157 HydrophobicContact CG2-CG1 4.44Å; V135-V157 HydrophobicContact CG2-CG2 3.71Å; F155-V157 HydrophobicContact CB-CG1 4.09Å; F155-V157 PolarHBondContact O-N 3.39Å; V157-V162 HydrophobicContact CG2-CG2 3.73Å; V157-F192 HydrophobicContact CG1-CE1 3.66Å; V157-F192 HydrophobicContact CG1-CZ 3.94Å; V157-T194 HydrophobicContact CB-CG2 4.31Å; V157-T194 HydrophobicContact CG1-CG2 4.42Å; V157-T194 HydrophobicContact CG2-CG2 4.01Å; V157-R203 WeakPolarHBondContact O-CD 3.4Å; V157-R203 PolarHBondContact O-NH1 2.91Å; V157-W205 HydrophobicContact CB-CZ2 4.25Å; V157-W205 HydrophobicContact CG1-CZ2 4.28Å
158H81.3Confident74.8Confident4 Ų455.6 Ų55.62%0.01927%0.273CS..  trans-140.9162.9-177.3-73.5-73.1000109.2G133 S160 V162 T194 C196 H201G133-H158 CarbonylContact C-O 3.59Å; G133-H158 WeakPolarHBondContact CA-O 3.36Å; G133-H158 PolarHBondContact O-N 3.21Å; H158-S160 WeakPolarHBondContact CB-O 3.12Å; H158-V162 HydrophobicContact CB-CG2 4.45Å; H158-T194 WeakPolarHBondContact NE2-CB 3.3Å; H158-T194 PolarHBondContact NE2-OG1 3.44Å; H158-C196 HydrophobicContact CB-CB 3.91Å; H158-H201 AromaticContact CE1-ND1 3.79Å; H158-H201 PolarHBondContact CE1-O 3.33Å; H158-H201 AromaticContact ND1-ND1 3.7Å
159R84Confident74.3Confident244 Ų24453 Ų5392%0.92126%0.255SS*.SBendtrans-90.3-11.7169.1-65.1-178179.7174.1-0.4112.4
160S76.1Confident72.5Confident29 Ų2953.6 Ų53.620%0.20326%0.262CS..SBendtrans-125.4163.6-173.5-55.10000110.1G133 H158 V162 E198G133-S160 WeakPolarHBondContact CA-O 3.05Å; G133-S160 PolarHBondContact N-O 3.06Å; H158-S160 WeakPolarHBondContact CB-O 3.12Å; S160-V162 PolarHBondContact O-N 3.28Å; S160-E198 PolarHBondContact OG-OE2 2.75Å
161R79.9Confident70.4Confident141 Ų14154.1 Ų54.153%0.53226%0.261SS..  trans-48.6130.7-175.1174.8-175.8-59-172.90.2111.9T130 S131 S163 C196 T197T130-R161 WeakPolarHBondContact O-CA 3.1Å; S131-R161 WeakPolarHBondContact O-CA 3.3Å; S131-R161 PolarHBondContact O-N 2.84Å; R161-S163 PolarHBondContact O-N 3Å; R161-C196 CarbonylContact O-C 3.43Å; R161-C196 WeakPolarHBondContact O-CA 2.95Å; R161-C196 VanDerWaalsContact O-CB 3.31Å; R161-C196 WeakPolarHBondContact O-CB 3.29Å; R161-T197 HydrophobicContact CB-CG2 3.92Å; R161-T197 HydrophobicContact CG-CG2 3.89Å; R161-T197 PolarHBondContact O-N 2.8Å; R161-T197 PolarHBondContact O-OG1 2.76Å
162V69.7Low67.7Low1 Ų154.6 Ų54.61%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-80.2114.1170.2-175.10000108.7T130 V135 V157 H158 S160 R164 I165 S181 V195T130-V162 PolarHBondContact O-N 3.49Å; V135-V162 HydrophobicContact CG2-CG1 4.13Å; V135-V162 HydrophobicContact CG2-CG2 4.18Å; V157-V162 HydrophobicContact CG2-CG2 3.73Å; H158-V162 HydrophobicContact CB-CG2 4.45Å; S160-V162 PolarHBondContact O-N 3.28Å; V162-R164 WeakPolarHBondContact CG1-O 3.48Å; V162-I165 HydrophobicContact CG1-CD1 4.04Å; V162-I165 HydrophobicContact CG1-CG1 3.63Å; V162-S181 WeakPolarHBondContact O-CB 3.48Å; V162-V195 CarbonylContact C-O 3.46Å; V162-V195 WeakPolarHBondContact CA-O 3.5Å
163S68.8Low65.3Low26 Ų2654.9 Ų54.918%0.18227%0.267CS..EExtended strand (participates in β ladder)trans-92.6-25.7-177.259.50000113.4R161 S181 V195R161-S163 PolarHBondContact O-N 3Å; S163-S181 VanDerWaalsContact C-CB 3.41Å; S163-S181 WeakPolarHBondContact CA-OG 3.46Å; S163-S181 WeakPolarHBondContact O-CB 3.35Å; S163-S181 PolarHBondContact O-OG 2.87Å; S163-V195 PolarHBondContact N-O 2.56Å; S163-V195 PolarHBondContact OG-O 2.77Å; S163-V195 VanDerWaalsContact OG-O 3.13Å
164R71.2Confident62.8Low48 Ų4856.8 Ų56.818%0.18129%0.285CS..EExtended strand (participates in β ladder)trans-148.9148.8178.9-54.9177.1173.7-130.8-6.4110.2V162 T194 V195 D243 G245V162-R164 WeakPolarHBondContact CG1-O 3.48Å; R164-T194 WeakPolarHBondContact O-CA 2.92Å; R164-V195 HydrophobicContact CB-CB 3.93Å; R164-V195 HydrophobicContact CB-CG2 3.86Å; R164-V195 HydrophobicContact CG-CB 4.45Å; R164-V195 PolarHBondContact N-O 2.82Å; R164-V195 PolarHBondContact O-N 2.93Å; R164-D243 IonicContact CZ-OD1 2.89Å; R164-D243 IonicContact CZ-OD2 2.65Å; R164-D243 IonicContact NH1-OD1 3.98Å; R164-D243 PolarHBondContact NH1-OD1 2.92Å; R164-D243 IonicContact NH1-OD2 3.2Å; R164-D243 PolarHBondContact NH1-OD2 2.93Å; R164-D243 VanDerWaalsContact NH1-OD2 3.1Å; R164-D243 IonicContact NH2-OD1 2.79Å; R164-D243 PolarHBondContact NH2-OD1 3.17Å; R164-D243 IonicContact NH2-OD2 2.91Å; R164-D243 PolarHBondContact NH2-OD2 3.28Å; R164-G245 WeakPolarHBondContact CD-O 3.31Å; R164-G245 PolarHBondContact NH1-O 2.94Å
165I73Confident60.1Low12 Ų1254.5 Ų54.56%0.06227%0.274CS..EExtended strand (participates in β ladder)trans-137.5138.5174.7-68.5164.8000107.3A127 V135 V162 S183 F192 V193 T194A127-I165 HydrophobicContact CB-CG2 4.12Å; V135-I165 HydrophobicContact CB-CD1 4.22Å; V135-I165 HydrophobicContact CG1-CD1 3.83Å; V135-I165 HydrophobicContact CG2-CD1 3.42Å; V135-I165 VanDerWaalsContact CG2-CD1 3.42Å; V135-I165 HydrophobicContact CG2-CG1 3.94Å; V162-I165 HydrophobicContact CG1-CD1 4.04Å; V162-I165 HydrophobicContact CG1-CG1 3.63Å; I165-S183 WeakPolarHBondContact CB-OG 3.14Å; I165-S183 WeakPolarHBondContact CG2-OG 3.08Å; I165-S183 WeakPolarHBondContact O-CB 3.48Å; I165-S183 PolarHBondContact O-OG 2.83Å; I165-F192 HydrophobicContact CB-CE2 4.37Å; I165-F192 HydrophobicContact CG1-CE2 4.11Å; I165-F192 HydrophobicContact CG2-CD2 3.83Å; I165-F192 HydrophobicContact CG2-CE2 3.57Å; I165-V193 CarbonylContact C-O 3.51Å; I165-V193 VanDerWaalsContact CA-O 3.27Å; I165-V193 WeakPolarHBondContact CA-O 3.14Å; I165-T194 HydrophobicContact CG1-CG2 4.33Å
166A71.7Confident57.7Low13 Ų1362 Ų6211%0.10730%0.302CS..EExtended strand (participates in β ladder)trans-132.6143.3167.900000109.8F192 V193 P246A166-F192 CarbonylContact O-C 3.08Å; A166-F192 WeakPolarHBondContact O-CA 3.15Å; A166-V193 HydrophobicContact CB-CB 4.33Å; A166-V193 PolarHBondContact N-O 3.25Å; A166-V193 PolarHBondContact O-N 3.34Å; A166-P246 HydrophobicContact CB-CB 4.39Å; A166-P246 HydrophobicContact CB-CG 3.51Å
167L63.2Low55.3Low9 Ų960 Ų605%0.04729%0.287CS..EExtended strand (participates in β ladder)trans-124.3128175.5-66.9174.8000106.9A127 T169 L185 F192 L207A127-L167 HydrophobicContact CB-CD1 3.86Å; L167-T169 PolarHBondContact O-N 2.85Å; L167-L185 HydrophobicContact CB-CB 4.43Å; L167-L185 HydrophobicContact CB-CD1 3.89Å; L167-L185 HydrophobicContact CB-CD2 3.46Å; L167-L185 VanDerWaalsContact CB-CD2 3.46Å; L167-L185 HydrophobicContact CB-CG 4.08Å; L167-L185 HydrophobicContact CD1-CB 4.21Å; L167-L185 HydrophobicContact CD1-CD2 4.1Å; L167-L185 HydrophobicContact CG-CD2 4.37Å; L167-L185 WeakPolarHBondContact O-CD1 2.89Å; L167-F192 HydrophobicContact CD2-CB 3.44Å; L167-F192 VanDerWaalsContact CD2-CB 3.44Å; L167-F192 HydrophobicContact CD2-CD2 3.65Å; L167-F192 HydrophobicContact CD2-CG 3.89Å; L167-L207 HydrophobicContact CD2-CD1 4.19Å
168T56.5Low53.1Low29 Ų2967.8 Ų67.818%0.17832%0.321CS..  trans-88.988.3-178.351.60000111.8R188 S189 N191 Q254T168-R188 CarbonylContact C-O 3.53Å; T168-S189 VanDerWaalsContact N-CB 3.31Å; T168-S189 WeakPolarHBondContact O-CA 3.26Å; T168-S189 WeakPolarHBondContact O-CB 3.4Å; T168-N191 PolarHBondContact N-O 3.42Å; T168-N191 PolarHBondContact OG1-O 3.29Å; T168-Q254 HydrophobicContact CG2-CB 4.46Å; T168-Q254 HydrophobicContact CG2-CG 3.57Å
169T52.6Low50.9Low48 Ų4874.6 Ų74.629%0.29436%0.357SS..SBendtrans160131.4139.443.60000116.3L167 K187 R188 K250L167-T169 PolarHBondContact O-N 2.85Å; T169-K187 CarbonylContact O-C 3.56Å; T169-R188 CarbonylContact C-O 3.52Å; T169-R188 WeakPolarHBondContact CA-O 3.47Å; T169-R188 VanDerWaalsContact CB-O 3.25Å; T169-R188 WeakPolarHBondContact CB-O 3.35Å; T169-R188 PolarHBondContact N-O 2.05Å; T169-R188 CarbonylContact O-C 3.49Å; T169-R188 PolarHBondContact O-N 3.01Å; T169-R188 PolarHBondContact OG1-O 2.67Å; T169-K250 WeakPolarHBondContact CA-O 3.37Å; T169-K250 WeakPolarHBondContact CG2-O 3.46Å
170A35.7Very low48.6Very low30 Ų3064.9 Ų64.925%0.24833%0.326CS..SBendtrans51.4118.4164.800000121.9K187A170-K187 WeakPolarHBondContact O-CB 3.46Å
171Y31.6Very low46.6Very low149 Ų14965.4 Ų65.458%0.58433%0.329SS*.  trans95131.8160.8-53.9-87.8000121.4A186 K187Y171-A186 VanDerWaalsContact O-O 3.06Å; Y171-K187 HydrophobicContact CD2-CB 4.31Å; Y171-K187 HydrophobicContact CD2-CD 3.06Å; Y171-K187 HydrophobicContact CD2-CG 4.33Å; Y171-K187 VanDerWaalsContact CD2-NZ 3.27Å; Y171-K187 HydrophobicContact CE2-CD 3.66Å; Y171-K187 HydrophobicContact CG-CD 3.79Å
172L23.8Very low44.6Very low83 Ų8359.3 Ų59.344%0.43531%0.307SS..  trans-75151.2-164.9-89.3117.7000116.1
173I26.6Very low43.1Very low75 Ų7560.4 Ų60.439%0.38532%0.315SS..  -165.797.1105.4-72.7150.6000106.9W112 V116 F184W112-I173 HydrophobicContact CH2-CB 4.22Å; W112-I173 HydrophobicContact CH2-CG2 4.29Å; W112-I173 HydrophobicContact CZ2-CB 4.06Å; W112-I173 HydrophobicContact CZ2-CG2 3.64Å; V116-I173 HydrophobicContact CB-CD1 4.47Å; V116-I173 HydrophobicContact CG1-CD1 3.76Å; V116-I173 HydrophobicContact CG2-CD1 3.82Å; I173-F184 WeakPolarHBondContact O-CB 3.16Å; I173-F184 WeakPolarHBondContact O-CD2 3.12Å; I173-F184 WeakPolarHBondContact O-CG 3.25Å
174S26.4Very low41.5Very low82 Ų8260.3 Ų60.357%0.57331%0.311SS*.  trans-74.1129.8173.952.20000111.4
175G25.4Very low39.8Very low11 Ų1159.7 Ų59.711%0.11331%0.311CS..  trans-153.574.4172.600000112.3N177 F184G175-N177 PolarHBondContact O-N 2.92Å; G175-F184 VanDerWaalsContact C-CE2 3.42Å; G175-F184 VanDerWaalsContact N-CD2 3.32Å; G175-F184 WeakPolarHBondContact O-CE2 2.98Å; G175-F184 WeakPolarHBondContact O-CZ 3.35Å
176W27.5Very low37.9Very low160 Ų16060 Ų6061%0.60632%0.316SS*.  trans-45.1133.3175.6-93.973.3000112.4
177N34Very low36.7Very low66 Ų6661.7 Ų61.735%0.35332%0.321SS..BIsolated β-bridgetrans-128.3124.8165.3-174.7-30.6000108.8G175 L179 C180G175-N177 PolarHBondContact O-N 2.92Å; N177-L179 PolarHBondContact O-N 2.74Å; N177-L179 VanDerWaalsContact OD1-CB 3.31Å; N177-L179 WeakPolarHBondContact OD1-CB 3.38Å; N177-L179 PolarHBondContact OD1-N 3.11Å; N177-C180 PolarHBondContact O-N 2.91Å
178K36.2Very low35.7Very low163 Ų16369.3 Ų69.371%0.70935%0.349SS*.THydrogen-bonded Turntrans-56.2-13.7178.1-69.4-166.4-179.9-162.60114D239K178-D239 VanDerWaalsContact NZ-CG 3.28Å; K178-D239 IonicContact NZ-OD1 3.03Å; K178-D239 PolarHBondContact NZ-OD1 3.35Å; K178-D239 IonicContact NZ-OD2 2.65Å; K178-D239 PolarHBondContact NZ-OD2 3.06Å
179L35.4Very low35.3Very low147 Ų14768 Ų6877%0.7734%0.341SS*.THydrogen-bonded Turntrans-88.4-18.2-178-73.5152.7000114.9N177N177-L179 PolarHBondContact O-N 2.74Å; N177-L179 VanDerWaalsContact OD1-CB 3.31Å; N177-L179 WeakPolarHBondContact OD1-CB 3.38Å; N177-L179 PolarHBondContact OD1-N 3.11Å
180C35.5Very low35.5Very low41 Ų4172 Ų7228%0.27736%0.356SS..BIsolated β-bridgetrans-158.7133.1-179.1-80.40000109.3C108 N177 L182C108-C180 HydrophobicContact CB-CB 3.68Å; C108-C180 WeakPolarHBondContact CB-SG 3.48Å; C108-C180 WeakPolarHBondContact SG-CB 3.43Å; C108-C180 CovalentContact SG-SG 2.05Å; C108-C180 PolarHBondContact SG-SG 2.96Å; N177-C180 PolarHBondContact O-N 2.91Å; C180-L182 HydrophobicContact CB-CD1 3.52Å; C180-L182 PolarHBondContact O-N 2.82Å
181S34.8Very low36.7Very low39 Ų3972.5 Ų72.527%0.27336%0.355SS..  trans-6481.5168.4-68.50000111.5G129 V162 S163G129-S181 PolarHBondContact N-O 3.19Å; V162-S181 WeakPolarHBondContact O-CB 3.48Å; S163-S181 VanDerWaalsContact C-CB 3.41Å; S163-S181 WeakPolarHBondContact CA-OG 3.46Å; S163-S181 WeakPolarHBondContact O-CB 3.35Å; S163-S181 PolarHBondContact O-OG 2.87Å
182L36.6Very low38.7Very low14 Ų1465.5 Ų65.57%0.07333%0.327CS..  trans-97.4101.5173.1-96.1119000108.2C108 I109 C180 F184C108-L182 HydrophobicContact CB-CD1 4Å; I109-L182 HydrophobicContact CB-CD1 4.45Å; I109-L182 HydrophobicContact CB-CD2 4.1Å; I109-L182 HydrophobicContact CD1-CD2 3.82Å; I109-L182 HydrophobicContact CG1-CD2 3.75Å; C180-L182 HydrophobicContact CB-CD1 3.52Å; C180-L182 PolarHBondContact O-N 2.82Å; L182-F184 HydrophobicContact CB-CE1 4.18Å; L182-F184 HydrophobicContact CB-CE2 3.7Å; L182-F184 HydrophobicContact CB-CZ 3.59Å; L182-F184 HydrophobicContact CD2-CD1 4.19Å; L182-F184 HydrophobicContact CD2-CE1 3.3Å; L182-F184 HydrophobicContact CD2-CE2 4.35Å; L182-F184 HydrophobicContact CD2-CZ 3.47Å; L182-F184 VanDerWaalsContact CD2-CZ 3.47Å; L182-F184 HydrophobicContact CG-CE1 4.35Å; L182-F184 HydrophobicContact CG-CZ 4.1Å; L182-F184 WeakPolarHBondContact O-CE2 3.3Å
183S38.3Very low41Very low23 Ų2361.7 Ų61.716%0.16131%0.307CS..  trans-80.6130.3154.558.40000108.2A127 I165A127-S183 PolarHBondContact O-OG 2.92Å; I165-S183 WeakPolarHBondContact CB-OG 3.14Å; I165-S183 WeakPolarHBondContact CG2-OG 3.08Å; I165-S183 WeakPolarHBondContact O-CB 3.48Å; I165-S183 PolarHBondContact O-OG 2.83Å
184F35.5Very low43.4Very low24 Ų2458.1 Ų58.111%0.10529%0.289CS..  trans-103.1123.6176.9-64.3-75.9000108.9W112 I173 G175 L182W112-F184 HydrophobicContact CB-CE1 4.46Å; W112-F184 AromaticContact CD1-CE1 3.88Å; W112-F184 AromaticContact CD1-CZ 3.71Å; W112-F184 AromaticContact CD2-CD1 3.75Å; W112-F184 HydrophobicContact CD2-CD1 3.75Å; W112-F184 AromaticContact CD2-CE1 3.01Å; W112-F184 HydrophobicContact CD2-CE1 3.01Å; W112-F184 AromaticContact CD2-CZ 3.68Å; W112-F184 HydrophobicContact CD2-CZ 3.68Å; W112-F184 AromaticContact CE2-CD1 3.48Å; W112-F184 VanDerWaalsContact CE2-CD1 3.48Å; W112-F184 AromaticContact CE2-CE1 3Å; W112-F184 AromaticContact CE2-CZ 3.44Å; W112-F184 VanDerWaalsContact CE2-CZ 3.44Å; W112-F184 AromaticContact CE3-CD1 3.65Å; W112-F184 HydrophobicContact CE3-CD1 3.65Å; W112-F184 AromaticContact CE3-CE1 3.25Å; W112-F184 HydrophobicContact CE3-CE1 3.25Å; W112-F184 HydrophobicContact CE3-CZ 4.33Å; W112-F184 AromaticContact CG-CE1 3.59Å; W112-F184 HydrophobicContact CG-CE1 3.59Å; W112-F184 AromaticContact CG-CZ 3.82Å; W112-F184 HydrophobicContact CG-CZ 3.82Å; W112-F184 HydrophobicContact CH2-CB 4.2Å; W112-F184 AromaticContact CH2-CD1 2.96Å; W112-F184 HydrophobicContact CH2-CD1 2.96Å; W112-F184 AromaticContact CH2-CE1 3.42Å; W112-F184 HydrophobicContact CH2-CE1 3.42Å; W112-F184 VanDerWaalsContact CH2-CE1 3.42Å; W112-F184 AromaticContact CH2-CG 3.75Å; W112-F184 HydrophobicContact CH2-CG 3.75Å; W112-F184 HydrophobicContact CH2-CZ 4.48Å; W112-F184 HydrophobicContact CZ2-CB 4.4Å; W112-F184 AromaticContact CZ2-CD1 3.09Å; W112-F184 HydrophobicContact CZ2-CD1 3.09Å; W112-F184 HydrophobicContact CZ2-CD2 4.33Å; W112-F184 AromaticContact CZ2-CE1 3.21Å; W112-F184 HydrophobicContact CZ2-CE1 3.21Å; W112-F184 HydrophobicContact CZ2-CE2 4.45Å; W112-F184 AromaticContact CZ2-CG 3.65Å; W112-F184 HydrophobicContact CZ2-CG 3.65Å; W112-F184 AromaticContact CZ2-CZ 3.88Å; W112-F184 HydrophobicContact CZ2-CZ 3.88Å; W112-F184 AromaticContact CZ3-CD1 3.27Å; W112-F184 HydrophobicContact CZ3-CD1 3.27Å; W112-F184 AromaticContact CZ3-CE1 3.45Å; W112-F184 HydrophobicContact CZ3-CE1 3.45Å; W112-F184 VanDerWaalsContact CZ3-CE1 3.45Å; W112-F184 HydrophobicContact CZ3-CG 4.42Å; W112-F184 AromaticContact NE1-CE1 3.58Å; W112-F184 AromaticContact NE1-CZ 3.48Å; I173-F184 WeakPolarHBondContact O-CB 3.16Å; I173-F184 WeakPolarHBondContact O-CD2 3.12Å; I173-F184 WeakPolarHBondContact O-CG 3.25Å; G175-F184 VanDerWaalsContact C-CE2 3.42Å; G175-F184 VanDerWaalsContact N-CD2 3.32Å; G175-F184 WeakPolarHBondContact O-CE2 2.98Å; G175-F184 WeakPolarHBondContact O-CZ 3.35Å; L182-F184 HydrophobicContact CB-CE1 4.18Å; L182-F184 HydrophobicContact CB-CE2 3.7Å; L182-F184 HydrophobicContact CB-CZ 3.59Å; L182-F184 HydrophobicContact CD2-CD1 4.19Å; L182-F184 HydrophobicContact CD2-CE1 3.3Å; L182-F184 HydrophobicContact CD2-CE2 4.35Å; L182-F184 HydrophobicContact CD2-CZ 3.47Å; L182-F184 VanDerWaalsContact CD2-CZ 3.47Å; L182-F184 HydrophobicContact CG-CE1 4.35Å; L182-F184 HydrophobicContact CG-CZ 4.1Å; L182-F184 WeakPolarHBondContact O-CE2 3.3Å
185L34.6Very low45.8Very low35 Ų3554.3 Ų54.318%0.18326%0.262CS..  trans-157100.2-179.6-148.8134.8000110.2E125 L167 K187E125-L185 CarbonylContact C-O 3.53Å; E125-L185 CarbonylContact O-C 3.51Å; E125-L185 VanDerWaalsContact O-C 3.26Å; L167-L185 HydrophobicContact CB-CB 4.43Å; L167-L185 HydrophobicContact CB-CD1 3.89Å; L167-L185 HydrophobicContact CB-CD2 3.46Å; L167-L185 VanDerWaalsContact CB-CD2 3.46Å; L167-L185 HydrophobicContact CB-CG 4.08Å; L167-L185 HydrophobicContact CD1-CB 4.21Å; L167-L185 HydrophobicContact CD1-CD2 4.1Å; L167-L185 HydrophobicContact CG-CD2 4.37Å; L167-L185 WeakPolarHBondContact O-CD1 2.89Å; L185-K187 WeakPolarHBondContact CD2-O 3.44Å
186A34.2Very low48.3Very low19 Ų1953.9 Ų53.916%0.15726%0.258CS..  trans-82.8141.5160.800000107.8L124 E125 Y171L124-A186 HydrophobicContact CD1-CB 4.14Å; E125-A186 WeakPolarHBondContact O-CA 2.97Å; E125-A186 PolarHBondContact O-N 3.4Å; Y171-A186 VanDerWaalsContact O-O 3.06Å
187K47.3Very low50.4Low48 Ų4849.8 Ų49.821%0.20925%0.25CS..SBendtrans84169.9169.7-82.1171.3-175.6179.40117N122 T169 A170 Y171 L185N122-K187 WeakPolarHBondContact OD1-CE 3.47Å; N122-K187 PolarHBondContact OD1-NZ 3.05Å; T169-K187 CarbonylContact O-C 3.56Å; A170-K187 WeakPolarHBondContact O-CB 3.46Å; Y171-K187 HydrophobicContact CD2-CB 4.31Å; Y171-K187 HydrophobicContact CD2-CD 3.06Å; Y171-K187 HydrophobicContact CD2-CG 4.33Å; Y171-K187 VanDerWaalsContact CD2-NZ 3.27Å; Y171-K187 HydrophobicContact CE2-CD 3.66Å; Y171-K187 HydrophobicContact CG-CD 3.79Å; L185-K187 WeakPolarHBondContact CD2-O 3.44Å
188R40.9Very low52Low169 Ų16951.1 Ų51.164%0.63826%0.255SS*.  trans-46144.5-146-98.7168.1163159.2-6.9113.9T168 T169T168-R188 CarbonylContact C-O 3.53Å; T169-R188 CarbonylContact C-O 3.52Å; T169-R188 WeakPolarHBondContact CA-O 3.47Å; T169-R188 VanDerWaalsContact CB-O 3.25Å; T169-R188 WeakPolarHBondContact CB-O 3.35Å; T169-R188 PolarHBondContact N-O 2.05Å; T169-R188 CarbonylContact O-C 3.49Å; T169-R188 PolarHBondContact O-N 3.01Å; T169-R188 PolarHBondContact OG1-O 2.67Å
189S48.1Very low53.5Low2 Ų250.8 Ų50.81%0.01425%0.25CC..  trans-155.8143.7159.578.70000110.9T168 N191 R209T168-S189 VanDerWaalsContact N-CB 3.31Å; T168-S189 WeakPolarHBondContact O-CA 3.26Å; T168-S189 WeakPolarHBondContact O-CB 3.4Å; S189-N191 WeakPolarHBondContact CB-O 3.25Å; S189-N191 PolarHBondContact OG-O 3.02Å; S189-R209 PolarHBondContact O-NE 2.89Å; S189-R209 VanDerWaalsContact O-NE 3.08Å
190E57.6Low55.4Low132 Ų13245.4 Ų45.462%0.61722%0.222SC*.SBendtrans-89.4-21.2168.4-62.6-170.917300111.3K206 L207E190-K206 CarbonylContact O-C 3.43Å; E190-K206 WeakPolarHBondContact O-CA 3.31Å; E190-L207 PolarHBondContact O-N 3.44Å
191N60.9Low57.7Low40 Ų4045.6 Ų45.621%0.21422%0.219CC..EExtended strand (participates in β ladder)trans-128.9152.1-179.7-62.4-42000112.4T168 S189 W205 L223T168-N191 PolarHBondContact N-O 3.42Å; T168-N191 PolarHBondContact OG1-O 3.29Å; S189-N191 WeakPolarHBondContact CB-O 3.25Å; S189-N191 PolarHBondContact OG-O 3.02Å; N191-W205 CarbonylContact C-O 3.39Å; N191-W205 VanDerWaalsContact CA-O 3.25Å; N191-W205 WeakPolarHBondContact CA-O 3.39Å; N191-L223 WeakPolarHBondContact OD1-CD1 3.04Å
192F73.7Confident60.1Low3 Ų343.7 Ų43.71%0.01321%0.206CC..EExtended strand (participates in β ladder)trans-138.3120.6-178.5153.1-119.9000109.1V135 V157 I165 A166 L167 T194 S204 W205 L207V135-F192 HydrophobicContact CB-CE2 4.33Å; V135-F192 HydrophobicContact CB-CZ 3.73Å; V135-F192 HydrophobicContact CG1-CE2 3.91Å; V135-F192 HydrophobicContact CG1-CZ 3.72Å; V135-F192 HydrophobicContact CG2-CE2 3.99Å; V135-F192 HydrophobicContact CG2-CZ 3.51Å; V157-F192 HydrophobicContact CG1-CE1 3.66Å; V157-F192 HydrophobicContact CG1-CZ 3.94Å; I165-F192 HydrophobicContact CB-CE2 4.37Å; I165-F192 HydrophobicContact CG1-CE2 4.11Å; I165-F192 HydrophobicContact CG2-CD2 3.83Å; I165-F192 HydrophobicContact CG2-CE2 3.57Å; A166-F192 CarbonylContact O-C 3.08Å; A166-F192 WeakPolarHBondContact O-CA 3.15Å; L167-F192 HydrophobicContact CD2-CB 3.44Å; L167-F192 VanDerWaalsContact CD2-CB 3.44Å; L167-F192 HydrophobicContact CD2-CD2 3.65Å; L167-F192 HydrophobicContact CD2-CG 3.89Å; F192-T194 HydrophobicContact CD1-CG2 4.32Å; F192-T194 HydrophobicContact CD2-CG2 3.99Å; F192-T194 HydrophobicContact CE1-CG2 3.51Å; F192-T194 HydrophobicContact CE2-CG2 3.12Å; F192-T194 HydrophobicContact CZ-CG2 2.85Å; F192-S204 CarbonylContact O-C 3.4Å; F192-S204 VanDerWaalsContact O-CA 3.29Å; F192-S204 WeakPolarHBondContact O-CA 3.27Å; F192-W205 HydrophobicContact CD1-CB 3.88Å; F192-W205 AromaticContact CD1-CD1 3.35Å; F192-W205 AromaticContact CD1-CG 3.84Å; F192-W205 HydrophobicContact CD1-CG 3.84Å; F192-W205 AromaticContact CE1-CD1 3.42Å; F192-W205 VanDerWaalsContact CE1-CD1 3.42Å; F192-W205 HydrophobicContact CE1-CG 4.14Å; F192-W205 AromaticContact CE1-NE1 3.92Å; F192-W205 PolarHBondContact N-O 2.98Å; F192-W205 PolarHBondContact O-N 2.91Å; F192-L207 HydrophobicContact CB-CD1 3.61Å; F192-L207 HydrophobicContact CB-CG 4.1Å; F192-L207 HydrophobicContact CG-CD1 4.27Å
193V72.2Confident62.4Low2 Ų246.4 Ų46.41%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-106.4134.8-178.3-176.40000108.3I165 A166 V202 R203 P246 F256 A272I165-V193 CarbonylContact C-O 3.51Å; I165-V193 VanDerWaalsContact CA-O 3.27Å; I165-V193 WeakPolarHBondContact CA-O 3.14Å; A166-V193 HydrophobicContact CB-CB 4.33Å; A166-V193 PolarHBondContact N-O 3.25Å; A166-V193 PolarHBondContact O-N 3.34Å; V193-V202 HydrophobicContact CG1-CG1 3.61Å; V193-R203 CarbonylContact C-O 3.51Å; V193-P246 HydrophobicContact CG1-CG 4.42Å; V193-F256 HydrophobicContact CG1-CE2 4.03Å; V193-F256 HydrophobicContact CG1-CZ 3.91Å; V193-A272 HydrophobicContact CG1-CB 4.15Å; V193-A272 HydrophobicContact CG2-CB 3.88Å
194T76.6Confident64.5Low0 Ų045.4 Ų45.40%021%0.208CC..EExtended strand (participates in β ladder)trans-127.2139.4177.752.50000109.9V135 V157 H158 R164 I165 F192 V202 R203V135-T194 HydrophobicContact CG2-CG2 4.02Å; V157-T194 HydrophobicContact CB-CG2 4.31Å; V157-T194 HydrophobicContact CG1-CG2 4.42Å; V157-T194 HydrophobicContact CG2-CG2 4.01Å; H158-T194 WeakPolarHBondContact NE2-CB 3.3Å; H158-T194 PolarHBondContact NE2-OG1 3.44Å; R164-T194 WeakPolarHBondContact O-CA 2.92Å; I165-T194 HydrophobicContact CG1-CG2 4.33Å; F192-T194 HydrophobicContact CD1-CG2 4.32Å; F192-T194 HydrophobicContact CD2-CG2 3.99Å; F192-T194 HydrophobicContact CE1-CG2 3.51Å; F192-T194 HydrophobicContact CE2-CG2 3.12Å; F192-T194 HydrophobicContact CZ-CG2 2.85Å; T194-V202 CarbonylContact O-C 3.46Å; T194-V202 VanDerWaalsContact O-CA 3.22Å; T194-V202 WeakPolarHBondContact O-CA 3.17Å; T194-R203 PolarHBondContact N-O 2.77Å; T194-R203 PolarHBondContact O-N 2.96Å; T194-R203 WeakPolarHBondContact OG1-CB 3.01Å; T194-R203 PolarHBondContact OG1-O 2.9Å
195V77.1Confident66.5Low2 Ų244.6 Ų44.61%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-117.6128.4171.3-167.80000107.3V162 S163 R164 N200 H201 V202 F256V162-V195 CarbonylContact C-O 3.46Å; V162-V195 WeakPolarHBondContact CA-O 3.5Å; S163-V195 PolarHBondContact N-O 2.56Å; S163-V195 PolarHBondContact OG-O 2.77Å; S163-V195 VanDerWaalsContact OG-O 3.13Å; R164-V195 HydrophobicContact CB-CB 3.93Å; R164-V195 HydrophobicContact CB-CG2 3.86Å; R164-V195 HydrophobicContact CG-CB 4.45Å; R164-V195 PolarHBondContact N-O 2.82Å; R164-V195 PolarHBondContact O-N 2.93Å; V195-N200 HydrophobicContact CG1-CB 4.42Å; V195-H201 WeakPolarHBondContact CA-O 3.34Å; V195-V202 HydrophobicContact CG1-CG2 4.45Å; V195-V202 HydrophobicContact CG2-CG2 4.21Å; V195-F256 HydrophobicContact CG2-CE1 3.81Å; V195-F256 HydrophobicContact CG2-CZ 3.82Å
196C77.5Confident68.4Low3 Ų348.9 Ų48.92%0.0222%0.221CC..EExtended strand (participates in β ladder)trans-96155.616984.60000111.5H158 R161 E198 H201H158-C196 HydrophobicContact CB-CB 3.91Å; R161-C196 CarbonylContact O-C 3.43Å; R161-C196 WeakPolarHBondContact O-CA 2.95Å; R161-C196 VanDerWaalsContact O-CB 3.31Å; R161-C196 WeakPolarHBondContact O-CB 3.29Å; C196-E198 PolarHBondContact O-N 2.86Å; C196-E198 PolarHBondContact SG-O 2.87Å; C196-H201 PolarHBondContact N-O 3.1Å
197T71.3Confident70.2Confident73 Ų7348.3 Ų48.345%0.44822%0.215SC..THydrogen-bonded Turntrans-64.4-24-179.248.10000113.2R161 Y199R161-T197 HydrophobicContact CB-CG2 3.92Å; R161-T197 HydrophobicContact CG-CG2 3.89Å; R161-T197 PolarHBondContact O-N 2.8Å; R161-T197 PolarHBondContact O-OG1 2.76Å; T197-Y199 PolarHBondContact O-N 2.71Å; T197-Y199 VanDerWaalsContact O-N 3.16Å
198E67.9Low71.1Confident95 Ų9548.5 Ų48.544%0.44422%0.223SC..THydrogen-bonded Turntrans-74.1111177.2-149.1-175.5147.900107.6S160 C196 N200 H201S160-E198 PolarHBondContact OG-OE2 2.75Å; C196-E198 PolarHBondContact O-N 2.86Å; C196-E198 PolarHBondContact SG-O 2.87Å; E198-N200 PolarHBondContact O-N 3.27Å; E198-H201 WeakPolarHBondContact O-CB 3.35Å; E198-H201 PolarHBondContact O-N 2.85Å; E198-H201 VanDerWaalsContact O-N 3.07Å
199Y66.7Low72.3Confident155 Ų15543 Ų4361%0.60820%0.202SC*.THydrogen-bonded Turntrans6215.6168.4-64.8-52.7000116.7T197 H201 K227T197-Y199 PolarHBondContact O-N 2.71Å; T197-Y199 VanDerWaalsContact O-N 3.16Å; Y199-H201 PolarHBondContact O-N 2.78Å; Y199-K227 VanDerWaalsContact CB-CE 3.42Å; Y199-K227 HydrophobicContact CG-CD 4.5Å; Y199-K227 VanDerWaalsContact CG-NZ 3.27Å; Y199-K227 WeakPolarHBondContact O-CE 3.37Å; Y199-K227 WeakPolarHBondContact O-CG 3.35Å
200N76.2Confident73.1Confident34 Ų3448.4 Ų48.418%0.18223%0.226CC..THydrogen-bonded Turntrans52.744.5-169.2-59.1-42.2000111.8V195 E198 V202 V228V195-N200 HydrophobicContact CG1-CB 4.42Å; E198-N200 PolarHBondContact O-N 3.27Å; N200-V202 PolarHBondContact O-N 2.61Å; N200-V228 HydrophobicContact CB-CB 4.21Å; N200-V228 WeakPolarHBondContact CB-O 3.46Å; N200-V228 PolarHBondContact O-N 3.23Å; N200-V228 VanDerWaalsContact O-N 3.17Å
201H82.9Confident73.5Confident45 Ų4552.3 Ų52.321%0.20824%0.235CC..EExtended strand (participates in β ladder)trans-73.4119.7176.4173-147.4000110.5H158 V195 C196 E198 Y199 R203 S225 F226H158-H201 AromaticContact CE1-ND1 3.79Å; H158-H201 PolarHBondContact CE1-O 3.33Å; H158-H201 AromaticContact ND1-ND1 3.7Å; V195-H201 WeakPolarHBondContact CA-O 3.34Å; C196-H201 PolarHBondContact N-O 3.1Å; E198-H201 WeakPolarHBondContact O-CB 3.35Å; E198-H201 PolarHBondContact O-N 2.85Å; E198-H201 VanDerWaalsContact O-N 3.07Å; Y199-H201 PolarHBondContact O-N 2.78Å; H201-R203 PolarHBondContact CE1-NE 2.92Å; H201-R203 VanDerWaalsContact CE1-NE 3.29Å; H201-S225 PolarHBondContact NE2-OG 2.85Å; H201-F226 PolarHBondContact CD2-O 3Å
202V86.8Confident73.4Confident0 Ų051.5 Ų51.50%024%0.236CC..EExtended strand (participates in β ladder)trans-99.6135.3-178.5-174.50000110.1V193 T194 V195 N200 S225 F226 V228 F256V193-V202 HydrophobicContact CG1-CG1 3.61Å; T194-V202 CarbonylContact O-C 3.46Å; T194-V202 VanDerWaalsContact O-CA 3.22Å; T194-V202 WeakPolarHBondContact O-CA 3.17Å; V195-V202 HydrophobicContact CG1-CG2 4.45Å; V195-V202 HydrophobicContact CG2-CG2 4.21Å; N200-V202 PolarHBondContact O-N 2.61Å; V202-S225 WeakPolarHBondContact O-CA 3.33Å; V202-F226 HydrophobicContact CB-CD1 4.39Å; V202-F226 HydrophobicContact CB-CD2 4.1Å; V202-F226 HydrophobicContact CB-CE1 4.03Å; V202-F226 HydrophobicContact CB-CE2 3.72Å; V202-F226 HydrophobicContact CB-CG 4.42Å; V202-F226 HydrophobicContact CB-CZ 3.69Å; V202-F226 HydrophobicContact CG1-CE1 3.83Å; V202-F226 HydrophobicContact CG1-CE2 4.07Å; V202-F226 HydrophobicContact CG1-CZ 3.53Å; V202-F226 HydrophobicContact CG2-CD2 4.33Å; V202-F226 HydrophobicContact CG2-CE2 3.8Å; V202-F226 HydrophobicContact CG2-CZ 4.14Å; V202-F226 PolarHBondContact N-O 2.89Å; V202-F226 PolarHBondContact O-N 2.58Å; V202-V228 HydrophobicContact CG2-CG2 3.68Å; V202-F256 HydrophobicContact CB-CE2 4.35Å; V202-F256 HydrophobicContact CB-CZ 4.28Å; V202-F256 HydrophobicContact CG1-CE2 3.63Å; V202-F256 HydrophobicContact CG1-CZ 3.69Å; V202-F256 HydrophobicContact CG2-CD1 4.49Å; V202-F256 HydrophobicContact CG2-CD2 4.47Å; V202-F256 HydrophobicContact CG2-CE1 3.88Å; V202-F256 HydrophobicContact CG2-CE2 3.86Å; V202-F256 HydrophobicContact CG2-CZ 3.52Å
203R84.4Confident72.7Confident71 Ų7153.1 Ų53.127%0.26824%0.244SC..EExtended strand (participates in β ladder)trans-129.2135.8166.5-73.2178173.4-171.8-2.1111V157 V193 T194 H201 P222 A224V157-R203 WeakPolarHBondContact O-CD 3.4Å; V157-R203 PolarHBondContact O-NH1 2.91Å; V193-R203 CarbonylContact C-O 3.51Å; T194-R203 PolarHBondContact N-O 2.77Å; T194-R203 PolarHBondContact O-N 2.96Å; T194-R203 WeakPolarHBondContact OG1-CB 3.01Å; T194-R203 PolarHBondContact OG1-O 2.9Å; H201-R203 PolarHBondContact CE1-NE 2.92Å; H201-R203 VanDerWaalsContact CE1-NE 3.29Å; R203-P222 HydrophobicContact CB-CB 4.21Å; R203-P222 HydrophobicContact CG-CB 4.39Å; R203-P222 HydrophobicContact CG-CG 4.29Å; R203-A224 VanDerWaalsContact CA-O 3.3Å; R203-A224 WeakPolarHBondContact CA-O 3.11Å
204S82.1Confident72.3Confident1 Ų153.1 Ų53.11%0.00724%0.244CC..EExtended strand (participates in β ladder)trans-118.9137.5179.2-59.40000110F192 P222 L223 A224 A272F192-S204 CarbonylContact O-C 3.4Å; F192-S204 VanDerWaalsContact O-CA 3.29Å; F192-S204 WeakPolarHBondContact O-CA 3.27Å; S204-P222 CarbonylContact O-C 3.54Å; S204-P222 WeakPolarHBondContact O-CA 3.11Å; S204-P222 VanDerWaalsContact O-CB 3.31Å; S204-P222 WeakPolarHBondContact O-CB 3.31Å; S204-L223 WeakPolarHBondContact O-CA 3.45Å; S204-L223 WeakPolarHBondContact O-CB 3.38Å; S204-L223 PolarHBondContact O-N 2.83Å; S204-A224 PolarHBondContact N-O 2.79Å; S204-A224 PolarHBondContact O-N 3.42Å; S204-A272 WeakPolarHBondContact CB-O 2.92Å; S204-A272 PolarHBondContact OG-O 3.07Å
205W78.3Confident71.8Confident7 Ų756.8 Ų56.83%0.02726%0.263CS..EExtended strand (participates in β ladder)trans-130.6145.2-175.4-52.582.9000110.3V157 N191 F192 P218 S219 P222V157-W205 HydrophobicContact CB-CZ2 4.25Å; V157-W205 HydrophobicContact CG1-CZ2 4.28Å; N191-W205 CarbonylContact C-O 3.39Å; N191-W205 VanDerWaalsContact CA-O 3.25Å; N191-W205 WeakPolarHBondContact CA-O 3.39Å; F192-W205 HydrophobicContact CD1-CB 3.88Å; F192-W205 AromaticContact CD1-CD1 3.35Å; F192-W205 AromaticContact CD1-CG 3.84Å; F192-W205 HydrophobicContact CD1-CG 3.84Å; F192-W205 AromaticContact CE1-CD1 3.42Å; F192-W205 VanDerWaalsContact CE1-CD1 3.42Å; F192-W205 HydrophobicContact CE1-CG 4.14Å; F192-W205 AromaticContact CE1-NE1 3.92Å; F192-W205 PolarHBondContact N-O 2.98Å; F192-W205 PolarHBondContact O-N 2.91Å; W205-P218 HydrophobicContact CB-CB 3.9Å; W205-P218 HydrophobicContact CD2-CB 3.97Å; W205-P218 HydrophobicContact CE3-CB 3.73Å; W205-P218 HydrophobicContact CE3-CG 4.48Å; W205-P218 HydrophobicContact CG-CB 4.09Å; W205-S219 VanDerWaalsContact CE3-O 3.31Å; W205-S219 WeakPolarHBondContact CZ3-O 3.47Å; W205-P222 HydrophobicContact CD2-CB 3.96Å; W205-P222 VanDerWaalsContact CE3-CA 3.45Å; W205-P222 HydrophobicContact CE3-CB 3.95Å; W205-P222 HydrophobicContact CH2-CB 3.97Å; W205-P222 HydrophobicContact CH2-CG 4.27Å; W205-P222 HydrophobicContact CZ2-CB 3.97Å; W205-P222 HydrophobicContact CZ2-CG 4.46Å; W205-P222 VanDerWaalsContact CZ3-CA 3.49Å; W205-P222 HydrophobicContact CZ3-CB 3.91Å; W205-P222 HydrophobicContact CZ3-CG 4.47Å
206K73.9Confident71.2Confident126 Ų12659.2 Ų59.255%0.54828%0.278SS..EExtended strand (participates in β ladder)trans-81.2132.3166.3-154.8169.6180170.90109E190 L223E190-K206 CarbonylContact O-C 3.43Å; E190-K206 WeakPolarHBondContact O-CA 3.31Å; K206-L223 HydrophobicContact CB-CD1 3.73Å; K206-L223 HydrophobicContact CB-CD2 4.16Å; K206-L223 HydrophobicContact CB-CG 4.03Å; K206-L223 HydrophobicContact CG-CD1 4.43Å; K206-L223 VanDerWaalsContact N-CD1 3.34Å
207L70.8Confident70.7Confident6 Ų665.7 Ų65.73%0.03131%0.308CS..  trans-115.3134.2171.6-65.6177.4000108.9L167 E190 F192 I214 P218L167-L207 HydrophobicContact CD2-CD1 4.19Å; E190-L207 PolarHBondContact O-N 3.44Å; F192-L207 HydrophobicContact CB-CD1 3.61Å; F192-L207 HydrophobicContact CB-CG 4.1Å; F192-L207 HydrophobicContact CG-CD1 4.27Å; L207-I214 HydrophobicContact CD1-CD1 4.12Å; L207-P218 HydrophobicContact CD2-CB 3.95Å; L207-P218 HydrophobicContact CD2-CG 4.32Å
208S67Low70.5Confident53 Ų5362.9 Ų62.937%0.37129%0.291SS..  trans-95.8145.3169.283.40000109.9N215 T216S208-N215 PolarHBondContact O-N 3.35Å; S208-T216 WeakPolarHBondContact CB-OG1 3.15Å; S208-T216 PolarHBondContact N-OG1 2.72Å; S208-T216 WeakPolarHBondContact OG-CB 3.37Å; S208-T216 WeakPolarHBondContact OG-CG2 3.13Å; S208-T216 PolarHBondContact OG-OG1 2.67Å
209R66.9Low70.5Confident53 Ų5361.4 Ų61.420%0.229%0.291CS..EExtended strand (participates in β ladder)trans-117.8138.5177.7-71174.2170.2-91.84.9110.1E125 S189 G212 M213 I214E125-R209 IonicContact OE1-CZ 3.74Å; E125-R209 IonicContact OE1-NH1 3.17Å; E125-R209 PolarHBondContact OE1-NH1 3.48Å; E125-R209 IonicContact OE2-CZ 3.61Å; E125-R209 IonicContact OE2-NH1 3.06Å; E125-R209 PolarHBondContact OE2-NH1 2.93Å; E125-R209 IonicContact OE2-NH2 2.61Å; E125-R209 PolarHBondContact OE2-NH2 3.21Å; S189-R209 PolarHBondContact O-NE 2.89Å; S189-R209 VanDerWaalsContact O-NE 3.08Å; R209-G212 PolarHBondContact NH1-O 2.79Å; R209-M213 CarbonylContact C-O 3.56Å; R209-M213 WeakPolarHBondContact CA-O 3.27Å; R209-M213 WeakPolarHBondContact CB-O 3.46Å; R209-I214 HydrophobicContact CG-CG1 4.23Å; R209-I214 VanDerWaalsContact CZ-CG1 3.42Å
210F64.9Low71Confident116 Ų11659.7 Ų59.751%0.50930%0.302SS..EExtended strand (participates in β ladder)trans-116.8122.4172.9-175.3-107.7000108.5G212 M213 N215F210-G212 PolarHBondContact O-N 2.65Å; F210-G212 VanDerWaalsContact O-N 3.13Å; F210-M213 PolarHBondContact N-O 3.44Å; F210-M213 PolarHBondContact O-N 2.9Å; F210-N215 HydrophobicContact CB-CB 3.46Å; F210-N215 VanDerWaalsContact CB-CB 3.46Å; F210-N215 WeakPolarHBondContact CB-ND2 3.46Å
211R64.5Low71.2Confident213 Ų21362.7 Ų62.780%0.80432%0.322SS*.THydrogen-bonded Turntrans51.435.6-176.2-53.5-177.482.893.5-2.1113.5M213R211-M213 VanDerWaalsContact C-N 3.32Å; R211-M213 PolarHBondContact O-N 2.79Å
212G59.2Low71.2Confident23 Ų2361.8 Ų61.824%0.23732%0.32CS..THydrogen-bonded Turntrans88.2-15179.100000115R209 F210R209-G212 PolarHBondContact NH1-O 2.79Å; F210-G212 PolarHBondContact O-N 2.65Å; F210-G212 VanDerWaalsContact O-N 3.13Å
213M58.6Low70.9Confident38 Ų3866.4 Ų66.419%0.18734%0.344CS..EExtended strand (participates in β ladder)trans-89.6141.8177.4-170.8-179.666.300110.7W123 E125 F152 R209 F210 R211 N215W123-M213 HydrophobicContact CE3-CG 4.49Å; W123-M213 HydrophobicContact CH2-CB 3.87Å; W123-M213 HydrophobicContact CH2-CG 3.82Å; W123-M213 HydrophobicContact CH2-SD 3.36Å; W123-M213 WeakPolarHBondContact CH2-SD 3.47Å; W123-M213 HydrophobicContact CZ2-CB 4.1Å; W123-M213 HydrophobicContact CZ2-SD 4.39Å; W123-M213 HydrophobicContact CZ3-CB 4.19Å; W123-M213 HydrophobicContact CZ3-CG 3.81Å; W123-M213 HydrophobicContact CZ3-SD 3.61Å; E125-M213 WeakPolarHBondContact OE1-CA 3.21Å; F152-M213 HydrophobicContact CD2-SD 3.99Å; F152-M213 HydrophobicContact CE1-CG 4.3Å; F152-M213 HydrophobicContact CE2-CE 3.55Å; F152-M213 HydrophobicContact CE2-CG 4.04Å; F152-M213 HydrophobicContact CE2-SD 3.24Å; F152-M213 WeakPolarHBondContact CE2-SD 3.38Å; F152-M213 HydrophobicContact CZ-CE 3.55Å; F152-M213 HydrophobicContact CZ-CG 3.84Å; F152-M213 HydrophobicContact CZ-SD 3.58Å; F152-M213 VanDerWaalsContact CZ-SD 3.58Å; R209-M213 CarbonylContact C-O 3.56Å; R209-M213 WeakPolarHBondContact CA-O 3.27Å; R209-M213 WeakPolarHBondContact CB-O 3.46Å; F210-M213 PolarHBondContact N-O 3.44Å; F210-M213 PolarHBondContact O-N 2.9Å; R211-M213 VanDerWaalsContact C-N 3.32Å; R211-M213 PolarHBondContact O-N 2.79Å; M213-N215 PolarHBondContact O-N 3.01Å
214I65.5Low70.8Confident1 Ų163.4 Ų63.41%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-54.9125167.6-64.6171.2000107.8E125 I137 F152 L207 R209E125-I214 PolarHBondContact OE1-N 3.49Å; E125-I214 VanDerWaalsContact OE1-N 3.15Å; I137-I214 HydrophobicContact CD1-CD1 3.51Å; I137-I214 HydrophobicContact CD1-CG2 4.34Å; I137-I214 HydrophobicContact CG2-CD1 4.43Å; F152-I214 HydrophobicContact CE1-CB 4.31Å; F152-I214 WeakPolarHBondContact CE1-O 2.99Å; F152-I214 WeakPolarHBondContact CZ-O 3.14Å; L207-I214 HydrophobicContact CD1-CD1 4.12Å; R209-I214 HydrophobicContact CG-CG1 4.23Å; R209-I214 VanDerWaalsContact CZ-CG1 3.42Å
215N65.5Low71Confident77 Ų7766.5 Ų66.541%0.41236%0.356SS..  trans-114-33.9-171.5-17244.6000112.8S208 F210 M213S208-N215 PolarHBondContact O-N 3.35Å; F210-N215 HydrophobicContact CB-CB 3.46Å; F210-N215 VanDerWaalsContact CB-CB 3.46Å; F210-N215 WeakPolarHBondContact CB-ND2 3.46Å; M213-N215 PolarHBondContact O-N 3.01Å
216T63.5Low71.4Confident53 Ų5367.5 Ų67.533%0.32536%0.361SS..SBendtrans-108.6143.9-173.656.40000111.2S208S208-T216 WeakPolarHBondContact CB-OG1 3.15Å; S208-T216 PolarHBondContact N-OG1 2.72Å; S208-T216 WeakPolarHBondContact OG-CB 3.37Å; S208-T216 WeakPolarHBondContact OG-CG2 3.13Å; S208-T216 PolarHBondContact OG-OG1 2.67Å
217Q66.9Low71.8Confident139 Ų13965.3 Ų65.365%0.6535%0.351SS*.PPolyproline II helixtrans-53.2136156-167170.112.600108.4F155F155-Q217 HydrophobicContact CD1-CG 3.91Å; F155-Q217 HydrophobicContact CE1-CB 4.11Å; F155-Q217 HydrophobicContact CE1-CG 3.92Å
218P67.2Low72.2Confident14 Ų1465.1 Ų65.19%0.09135%0.35CS..PPolyproline II helixtrans-54.8154168.924.3-31.2000108.6F155 W205 L207F155-P218 HydrophobicContact CB-CG 4.25Å; F155-P218 HydrophobicContact CD1-CG 4.02Å; F155-P218 HydrophobicContact CD2-CG 4.24Å; F155-P218 HydrophobicContact CE1-CG 4.35Å; F155-P218 HydrophobicContact CG-CG 3.92Å; F155-P218 VanDerWaalsContact CZ-CD 3.49Å; W205-P218 HydrophobicContact CB-CB 3.9Å; W205-P218 HydrophobicContact CD2-CB 3.97Å; W205-P218 HydrophobicContact CE3-CB 3.73Å; W205-P218 HydrophobicContact CE3-CG 4.48Å; W205-P218 HydrophobicContact CG-CB 4.09Å; L207-P218 HydrophobicContact CD2-CB 3.95Å; L207-P218 HydrophobicContact CD2-CG 4.32Å
219S69.2Low72.6Confident64 Ų6467 Ų6745%0.44836%0.355SS..PPolyproline II helixtrans-50.1160.7171.943.80000110.8W205 T221W205-S219 VanDerWaalsContact CE3-O 3.31Å; W205-S219 WeakPolarHBondContact CZ3-O 3.47Å; S219-T221 WeakPolarHBondContact CB-O 3.31Å; S219-T221 PolarHBondContact O-N 2.82Å; S219-T221 PolarHBondContact OG-O 2.92Å
220S75.7Confident72.6Confident120 Ų12066.7 Ų66.784%0.83936%0.359SS*.SBendtrans-67.1-27.5172.550.20000112.2
221T81Confident72.5Confident97 Ų9766.3 Ų66.360%0.59536%0.361SS*.SBendtrans-102.9128178.2-49.60000110.3S219S219-T221 WeakPolarHBondContact CB-O 3.31Å; S219-T221 PolarHBondContact O-N 2.82Å; S219-T221 PolarHBondContact OG-O 2.92Å
222P82.9Confident72.1Confident26 Ų2661.3 Ų61.317%0.16935%0.347CS..  trans-68.1152.5175.729.7-34.6000111R203 S204 W205 A224R203-P222 HydrophobicContact CB-CB 4.21Å; R203-P222 HydrophobicContact CG-CB 4.39Å; R203-P222 HydrophobicContact CG-CG 4.29Å; S204-P222 CarbonylContact O-C 3.54Å; S204-P222 WeakPolarHBondContact O-CA 3.11Å; S204-P222 VanDerWaalsContact O-CB 3.31Å; S204-P222 WeakPolarHBondContact O-CB 3.31Å; W205-P222 HydrophobicContact CD2-CB 3.96Å; W205-P222 VanDerWaalsContact CE3-CA 3.45Å; W205-P222 HydrophobicContact CE3-CB 3.95Å; W205-P222 HydrophobicContact CH2-CB 3.97Å; W205-P222 HydrophobicContact CH2-CG 4.27Å; W205-P222 HydrophobicContact CZ2-CB 3.97Å; W205-P222 HydrophobicContact CZ2-CG 4.46Å; W205-P222 VanDerWaalsContact CZ3-CA 3.49Å; W205-P222 HydrophobicContact CZ3-CB 3.91Å; W205-P222 HydrophobicContact CZ3-CG 4.47Å; P222-A224 VanDerWaalsContact C-N 3.28Å; P222-A224 WeakPolarHBondContact CB-O 3.48Å; P222-A224 PolarHBondContact O-N 2.92Å
223L80.6Confident71.5Confident96 Ų9664 Ų6450%0.50336%0.362SS..SBendtrans-58.9-41.5169.9-71.6176000111.4N191 S204 K206N191-L223 WeakPolarHBondContact OD1-CD1 3.04Å; S204-L223 WeakPolarHBondContact O-CA 3.45Å; S204-L223 WeakPolarHBondContact O-CB 3.38Å; S204-L223 PolarHBondContact O-N 2.83Å; K206-L223 HydrophobicContact CB-CD1 3.73Å; K206-L223 HydrophobicContact CB-CD2 4.16Å; K206-L223 HydrophobicContact CB-CG 4.03Å; K206-L223 HydrophobicContact CG-CD1 4.43Å; K206-L223 VanDerWaalsContact N-CD1 3.34Å
224A81.9Confident71Confident9 Ų967.1 Ų67.17%0.07439%0.394CS..EExtended strand (participates in β ladder)trans-142.1147.1176.500000110.4R203 S204 P222 F226 S273 T274R203-A224 VanDerWaalsContact CA-O 3.3Å; R203-A224 WeakPolarHBondContact CA-O 3.11Å; S204-A224 PolarHBondContact N-O 2.79Å; S204-A224 PolarHBondContact O-N 3.42Å; P222-A224 VanDerWaalsContact C-N 3.28Å; P222-A224 WeakPolarHBondContact CB-O 3.48Å; P222-A224 PolarHBondContact O-N 2.92Å; A224-F226 HydrophobicContact CB-CD1 4.15Å; A224-F226 HydrophobicContact CB-CE1 4.23Å; A224-S273 WeakPolarHBondContact CB-O 3.37Å; A224-T274 WeakPolarHBondContact CB-O 3.46Å
225S86.9Confident70Confident66 Ų6673.7 Ų73.746%0.46243%0.429SS..EExtended strand (participates in β ladder)trans-145.7107.2177170.50000109.1H201 V202H201-S225 PolarHBondContact NE2-OG 2.85Å; V202-S225 WeakPolarHBondContact O-CA 3.33Å
226F85.9Confident68.6Low28 Ų2873.2 Ų73.212%0.12344%0.436CS..EExtended strand (participates in β ladder)trans-147.4162.1-173.561.2-89.5000112.1H201 V202 A224 V228 F256 G275H201-F226 PolarHBondContact CD2-O 3Å; V202-F226 HydrophobicContact CB-CD1 4.39Å; V202-F226 HydrophobicContact CB-CD2 4.1Å; V202-F226 HydrophobicContact CB-CE1 4.03Å; V202-F226 HydrophobicContact CB-CE2 3.72Å; V202-F226 HydrophobicContact CB-CG 4.42Å; V202-F226 HydrophobicContact CB-CZ 3.69Å; V202-F226 HydrophobicContact CG1-CE1 3.83Å; V202-F226 HydrophobicContact CG1-CE2 4.07Å; V202-F226 HydrophobicContact CG1-CZ 3.53Å; V202-F226 HydrophobicContact CG2-CD2 4.33Å; V202-F226 HydrophobicContact CG2-CE2 3.8Å; V202-F226 HydrophobicContact CG2-CZ 4.14Å; V202-F226 PolarHBondContact N-O 2.89Å; V202-F226 PolarHBondContact O-N 2.58Å; A224-F226 HydrophobicContact CB-CD1 4.15Å; A224-F226 HydrophobicContact CB-CE1 4.23Å; F226-V228 HydrophobicContact CD2-CG2 4.16Å; F226-V228 HydrophobicContact CE2-CG2 3.78Å; F226-F256 HydrophobicContact CE2-CD2 4.04Å; F226-F256 HydrophobicContact CE2-CE2 4.29Å; F226-F256 AromaticContact CZ-CD2 3.96Å; F226-F256 HydrophobicContact CZ-CD2 3.96Å; F226-F256 AromaticContact CZ-CE2 3.94Å; F226-F256 HydrophobicContact CZ-CE2 3.94Å; F226-G275 VanDerWaalsContact CD1-CA 3.41Å
227K83.9Confident67.4Low80 Ų8079.2 Ų79.235%0.34847%0.466SS..EExtended strand (participates in β ladder)trans-104131.6178.7-174.5172.8166.5166.30110.4Y199 M229Y199-K227 VanDerWaalsContact CB-CE 3.42Å; Y199-K227 HydrophobicContact CG-CD 4.5Å; Y199-K227 VanDerWaalsContact CG-NZ 3.27Å; Y199-K227 WeakPolarHBondContact O-CE 3.37Å; Y199-K227 WeakPolarHBondContact O-CG 3.35Å; K227-M229 HydrophobicContact CD-SD 3.5Å; K227-M229 WeakPolarHBondContact CD-SD 3.48Å; K227-M229 WeakPolarHBondContact CE-SD 3.14Å; K227-M229 HydrophobicContact CG-SD 3.84Å
228V78.2Confident65.9Low1 Ų174.9 Ų74.91%0.00646%0.458CS..  trans-93.4106169.6-177.60000107.9N200 V202 F226 V244 F256 Q258N200-V228 HydrophobicContact CB-CB 4.21Å; N200-V228 WeakPolarHBondContact CB-O 3.46Å; N200-V228 PolarHBondContact O-N 3.23Å; N200-V228 VanDerWaalsContact O-N 3.17Å; V202-V228 HydrophobicContact CG2-CG2 3.68Å; F226-V228 HydrophobicContact CD2-CG2 4.16Å; F226-V228 HydrophobicContact CE2-CG2 3.78Å; V228-V244 HydrophobicContact CG1-CB 3.99Å; V228-V244 HydrophobicContact CG1-CG1 4.27Å; V228-V244 HydrophobicContact CG1-CG2 3.95Å; V228-F256 HydrophobicContact CG1-CB 4.39Å; V228-F256 HydrophobicContact CG2-CB 3.97Å; V228-F256 HydrophobicContact CG2-CD1 3.88Å; V228-F256 HydrophobicContact CG2-CD2 4.33Å; V228-F256 HydrophobicContact CG2-CE1 4.47Å; V228-F256 HydrophobicContact CG2-CG 3.79Å; V228-Q258 HydrophobicContact CG1-CB 4.18Å; V228-Q258 HydrophobicContact CG1-CG 3.95Å
229M75.8Confident64.6Low94 Ų9480.7 Ų80.746%0.46349%0.489SS..  trans-79.7124.8-174.3-51.4-79.1-61.300110.4K227 Q258K227-M229 HydrophobicContact CD-SD 3.5Å; K227-M229 WeakPolarHBondContact CD-SD 3.48Å; K227-M229 WeakPolarHBondContact CE-SD 3.14Å; K227-M229 HydrophobicContact CG-SD 3.84Å; M229-Q258 VanDerWaalsContact CB-NE2 3.3Å; M229-Q258 WeakPolarHBondContact O-CG 2.85Å; M229-Q258 PolarHBondContact O-NE2 3.21Å
230T66Low63.1Low46 Ų4684.6 Ų84.628%0.28250%0.504SS..  trans-104.2132.4165.3540000107.7E232 V244T230-E232 PolarHBondContact OG1-O 2.78Å; T230-V244 HydrophobicContact CG2-CG1 3.71Å
231L63.3Low61.9Low108 Ų10884.3 Ų84.357%0.56550%0.497SS*.SBendtrans-77-16.3173.9-86.1-169.9000112.7V260 P262L231-V260 VanDerWaalsContact CD1-C 3.44Å; L231-V260 WeakPolarHBondContact CD1-O 3.14Å; L231-V260 WeakPolarHBondContact CG-O 3.14Å; L231-P262 HydrophobicContact CD1-CG 4.48Å
232E55.8Low60.6Low107 Ų10783.4 Ų83.450%0.549%0.489SS..SBendtrans-85.9122.7172.4-66172.5-164.800107.9T230 L242T230-E232 PolarHBondContact OG1-O 2.78Å; E232-L242 HydrophobicContact CB-CD1 4.46Å; E232-L242 HydrophobicContact CG-CD1 4.39Å; E232-L242 WeakPolarHBondContact OE2-CD1 3.42Å
233S47.1Very low59.8Low80 Ų8085.6 Ų85.656%0.55950%0.499SS*.  trans-61144-174.247.50000111.1D235S233-D235 PolarHBondContact O-N 3.13Å
234A48.5Very low59.4Low103 Ų10381.4 Ų81.485%0.85148%0.477SS*.THydrogen-bonded Turntrans-66.88.1172.400000113.4
235D43.4Very low58.8Low140 Ų14081 Ų8175%0.74947%0.474SS*.THydrogen-bonded Turntrans-98.36.8-173.7-56.4-39.5000112.8S233 D237S233-D235 PolarHBondContact O-N 3.13Å; D235-D237 PolarHBondContact O-N 2.79Å
236A37.1Very low58Low66 Ų6678.9 Ų78.955%0.54546%0.459SS..  trans-74.89216500000109.2G238A236-G238 PolarHBondContact O-N 3.42Å
237D37.9Very low57.3Low179 Ų17981.5 Ų81.596%0.95747%0.47SS*.  trans-63.374.6162.9-160.125.5000108.6D235D235-D237 PolarHBondContact O-N 2.79Å
238G35.8Very low56.3Low48 Ų4879.6 Ų79.650%0.49547%0.474SS..SBendtrans163.2100.5-175.800000114.3A236 N240A236-G238 PolarHBondContact O-N 3.42Å; G238-N240 PolarHBondContact O-N 3.41Å
239D39.5Very low55.1Low136 Ų13684.7 Ų84.773%0.72750%0.501SS*.SBendtrans33.82.9151-95.5-4.4000122.9K178K178-D239 VanDerWaalsContact NZ-CG 3.28Å; K178-D239 IonicContact NZ-OD1 3.03Å; K178-D239 PolarHBondContact NZ-OD1 3.35Å; K178-D239 IonicContact NZ-OD2 2.65Å; K178-D239 PolarHBondContact NZ-OD2 3.06Å
240N37.9Very low53.8Low146 Ų14685.3 Ų85.378%0.78150%0.501SS*.  trans-121.244.2-179.8-85.9-12.6000112.3G238 L242G238-N240 PolarHBondContact O-N 3.41Å; N240-L242 PolarHBondContact O-N 3.38Å
241V50.3Low53Low114 Ų11489.6 Ų89.669%0.69152%0.522SS*.  trans-64.6107.2164.6178.80000106.8D243V241-D243 PolarHBondContact O-N 2.92Å
242L54.3Low52.8Low79 Ų7986.6 Ų86.641%0.41451%0.51SS..  trans-44.7111172.1-85.7166.8000108.6E232 N240 V244E232-L242 HydrophobicContact CB-CD1 4.46Å; E232-L242 HydrophobicContact CG-CD1 4.39Å; E232-L242 WeakPolarHBondContact OE2-CD1 3.42Å; N240-L242 PolarHBondContact O-N 3.38Å; L242-V244 PolarHBondContact O-N 2.65Å
243D66Low53.4Low71 Ų7187 Ų8738%0.3851%0.512SS..  trans-67.9100.8175.8-165.8-37.4000107.1R164 V241 G245 F247R164-D243 IonicContact CZ-OD1 2.89Å; R164-D243 IonicContact CZ-OD2 2.65Å; R164-D243 IonicContact NH1-OD1 3.98Å; R164-D243 PolarHBondContact NH1-OD1 2.92Å; R164-D243 IonicContact NH1-OD2 3.2Å; R164-D243 PolarHBondContact NH1-OD2 2.93Å; R164-D243 VanDerWaalsContact NH1-OD2 3.1Å; R164-D243 IonicContact NH2-OD1 2.79Å; R164-D243 PolarHBondContact NH2-OD1 3.17Å; R164-D243 IonicContact NH2-OD2 2.91Å; R164-D243 PolarHBondContact NH2-OD2 3.28Å; V241-D243 PolarHBondContact O-N 2.92Å; D243-G245 VanDerWaalsContact C-N 3.28Å; D243-G245 WeakPolarHBondContact OD1-CA 3.5Å; D243-G245 PolarHBondContact OD1-N 3.28Å; D243-F247 HydrophobicContact CB-CZ 4Å; D243-F247 VanDerWaalsContact O-CE2 3.25Å; D243-F247 WeakPolarHBondContact O-CE2 3.44Å; D243-F247 WeakPolarHBondContact O-CZ 3.16Å; D243-F247 WeakPolarHBondContact OD1-CZ 3.3Å
244V71.4Confident54.7Low9 Ų984.1 Ų84.16%0.05549%0.49CS..  trans-87.91177.6-66.70000112.3V228 T230 L242 F256 V257V228-V244 HydrophobicContact CG1-CB 3.99Å; V228-V244 HydrophobicContact CG1-CG1 4.27Å; V228-V244 HydrophobicContact CG1-CG2 3.95Å; T230-V244 HydrophobicContact CG2-CG1 3.71Å; L242-V244 PolarHBondContact O-N 2.65Å; V244-F256 HydrophobicContact CG2-CD1 4.35Å; V244-F256 CarbonylContact O-C 3.44Å; V244-F256 WeakPolarHBondContact O-CA 3.45Å; V244-F256 WeakPolarHBondContact O-CB 3.46Å; V244-F256 VanDerWaalsContact O-CD1 3.31Å; V244-F256 WeakPolarHBondContact O-CD1 3.19Å; V244-V257 WeakPolarHBondContact CA-O 3.42Å; V244-V257 WeakPolarHBondContact CB-O 2.77Å; V244-V257 WeakPolarHBondContact CG1-O 3.35Å; V244-V257 PolarHBondContact O-N 3.46Å
245G69.9Low56.2Low0 Ų080.8 Ų80.80%046%0.459CS..  trans101.8-159.3-176.700000114.3R164 D243 F247R164-G245 WeakPolarHBondContact CD-O 3.31Å; R164-G245 PolarHBondContact NH1-O 2.94Å; D243-G245 VanDerWaalsContact C-N 3.28Å; D243-G245 WeakPolarHBondContact OD1-CA 3.5Å; D243-G245 PolarHBondContact OD1-N 3.28Å; G245-F247 VanDerWaalsContact CA-CD2 3.47Å
246P69.8Low58Low22 Ų2274.1 Ų74.114%0.14342%0.423CS..  cis-66.3139828.1-34.3000112.2A166 V193 Q254 V255 F256 A272A166-P246 HydrophobicContact CB-CB 4.39Å; A166-P246 HydrophobicContact CB-CG 3.51Å; V193-P246 HydrophobicContact CG1-CG 4.42Å; P246-Q254 HydrophobicContact CB-CB 4.14Å; P246-V255 CarbonylContact C-O 3.47Å; P246-V255 WeakPolarHBondContact CA-O 3.4Å; P246-F256 HydrophobicContact CB-CE1 4.09Å; P246-F256 HydrophobicContact CB-CE2 4.07Å; P246-F256 HydrophobicContact CB-CZ 3.77Å; P246-F256 VanDerWaalsContact CD-CE1 3.5Å; P246-F256 HydrophobicContact CG-CE1 4.34Å; P246-F256 HydrophobicContact CG-CZ 4.04Å; P246-F256 VanDerWaalsContact N-CE1 3.31Å; P246-A272 HydrophobicContact CB-CB 4.31Å
247F70.8Confident60Low82 Ų8273.1 Ų73.136%0.3641%0.41SS..BIsolated β-bridgetrans-110.7144.5174.7-62.6-68000109.7D243 G245 Q254 V255 V257D243-F247 HydrophobicContact CB-CZ 4Å; D243-F247 VanDerWaalsContact O-CE2 3.25Å; D243-F247 WeakPolarHBondContact O-CE2 3.44Å; D243-F247 WeakPolarHBondContact O-CZ 3.16Å; D243-F247 WeakPolarHBondContact OD1-CZ 3.3Å; G245-F247 VanDerWaalsContact CA-CD2 3.47Å; F247-Q254 CarbonylContact O-C 3.55Å; F247-Q254 VanDerWaalsContact O-CA 3.3Å; F247-Q254 WeakPolarHBondContact O-CA 3.22Å; F247-V255 HydrophobicContact CB-CG2 4.34Å; F247-V255 PolarHBondContact N-O 3.41Å; F247-V255 WeakPolarHBondContact O-CG2 3.48Å; F247-V255 PolarHBondContact O-N 2.79Å; F247-V257 HydrophobicContact CD2-CB 4.17Å; F247-V257 HydrophobicContact CD2-CG2 3.86Å; F247-V257 HydrophobicContact CE2-CB 4.17Å; F247-V257 HydrophobicContact CE2-CG2 4.33Å
248G63.7Low61.7Low41 Ų4164.7 Ų64.742%0.42337%0.365SS..  trans153.1147.2179.500000108.7S252 Q254G248-S252 VanDerWaalsContact CA-OG 3.27Å; G248-S252 WeakPolarHBondContact CA-OG 3.3Å; G248-Q254 PolarHBondContact O-NE2 3.36Å
249D53.6Low63.4Low108 Ų10866.2 Ų66.258%0.57836%0.358SS*.  trans-83.9-169.6176.570.328.3000111.2D251 S252 Q254D249-D251 PolarHBondContact O-N 2.75Å; D249-D251 PolarHBondContact OD1-N 3.42Å; D249-S252 PolarHBondContact N-OG 2.97Å; D249-S252 VanDerWaalsContact OD1-CB 3.24Å; D249-S252 WeakPolarHBondContact OD1-CB 3.32Å; D249-S252 PolarHBondContact OD1-N 2.71Å; D249-S252 PolarHBondContact OD1-OG 3.42Å; D249-Q254 PolarHBondContact O-NE2 3Å
250K48.2Very low64.8Low107 Ų10761.5 Ų61.547%0.46533%0.334SS..SBendtrans-69-19.5-165.5-64166.9-173.1161.10113.1T169T169-K250 WeakPolarHBondContact CA-O 3.37Å; T169-K250 WeakPolarHBondContact CG2-O 3.46Å
251D49.7Very low66.4Low136 Ų13658.1 Ų58.173%0.72732%0.318SS*.SBendtrans-128.1-3.7-176.1-58-49.1000112D249D249-D251 PolarHBondContact O-N 2.75Å; D249-D251 PolarHBondContact OD1-N 3.42Å
252S58.3Low67.4Low45 Ų4556 Ų5632%0.31531%0.307SS..SBendtrans-87.8156.717981.20000112.8G248 D249 Q254G248-S252 VanDerWaalsContact CA-OG 3.27Å; G248-S252 WeakPolarHBondContact CA-OG 3.3Å; D249-S252 PolarHBondContact N-OG 2.97Å; D249-S252 VanDerWaalsContact OD1-CB 3.24Å; D249-S252 WeakPolarHBondContact OD1-CB 3.32Å; D249-S252 PolarHBondContact OD1-N 2.71Å; D249-S252 PolarHBondContact OD1-OG 3.42Å; S252-Q254 PolarHBondContact O-N 2.97Å
253E68.2Low68.3Low114 Ų11459.6 Ų59.653%0.53333%0.327SS..PPolyproline II helixtrans-56.1130.1161.5-72.9-154.49300109.5L271 S273E253-L271 HydrophobicContact CB-CD2 4.11Å; E253-L271 HydrophobicContact CG-CD2 4.47Å; E253-L271 WeakPolarHBondContact OE2-CD2 3.47Å; E253-S273 PolarHBondContact OE1-OG 3.48Å
254Q75.1Confident68.7Low20 Ų2058.4 Ų58.49%0.09332%0.322CS..PPolyproline II helixtrans-74.7137.8171.4-67.9-70.5-4300107.5T168 P246 F247 G248 D249 S252 A272T168-Q254 HydrophobicContact CG2-CB 4.46Å; T168-Q254 HydrophobicContact CG2-CG 3.57Å; P246-Q254 HydrophobicContact CB-CB 4.14Å; F247-Q254 CarbonylContact O-C 3.55Å; F247-Q254 VanDerWaalsContact O-CA 3.3Å; F247-Q254 WeakPolarHBondContact O-CA 3.22Å; G248-Q254 PolarHBondContact O-NE2 3.36Å; D249-Q254 PolarHBondContact O-NE2 3Å; S252-Q254 PolarHBondContact O-N 2.97Å; Q254-A272 HydrophobicContact CB-CB 3.62Å; Q254-A272 WeakPolarHBondContact O-CB 3.13Å; Q254-A272 PolarHBondContact O-N 2.85Å
255V79.1Confident68.9Low33 Ų3364.6 Ų64.620%0.236%0.364CS..EExtended strand (participates in β ladder)trans-132.9150.1-176.8-60.70000111.6P246 F247 V257 I269 R270 L271P246-V255 CarbonylContact C-O 3.47Å; P246-V255 WeakPolarHBondContact CA-O 3.4Å; F247-V255 HydrophobicContact CB-CG2 4.34Å; F247-V255 PolarHBondContact N-O 3.41Å; F247-V255 WeakPolarHBondContact O-CG2 3.48Å; F247-V255 PolarHBondContact O-N 2.79Å; V255-V257 HydrophobicContact CG2-CG2 4.38Å; V255-I269 HydrophobicContact CB-CG2 3.69Å; V255-I269 HydrophobicContact CG1-CG2 3.91Å; V255-I269 HydrophobicContact CG2-CG2 4.07Å; V255-R270 CarbonylContact C-O 3.26Å; V255-R270 WeakPolarHBondContact CA-O 3.4Å; V255-R270 WeakPolarHBondContact CB-O 3.31Å; V255-L271 HydrophobicContact CG1-CD2 4.16Å
256F80.7Confident69.1Low1 Ų170.9 Ų70.90%0.00439%0.393CS..EExtended strand (participates in β ladder)trans-100.2132.6166.8-68.4-89.3000109.3V193 V195 V202 F226 V228 V244 P246 I269 R270 A272V193-F256 HydrophobicContact CG1-CE2 4.03Å; V193-F256 HydrophobicContact CG1-CZ 3.91Å; V195-F256 HydrophobicContact CG2-CE1 3.81Å; V195-F256 HydrophobicContact CG2-CZ 3.82Å; V202-F256 HydrophobicContact CB-CE2 4.35Å; V202-F256 HydrophobicContact CB-CZ 4.28Å; V202-F256 HydrophobicContact CG1-CE2 3.63Å; V202-F256 HydrophobicContact CG1-CZ 3.69Å; V202-F256 HydrophobicContact CG2-CD1 4.49Å; V202-F256 HydrophobicContact CG2-CD2 4.47Å; V202-F256 HydrophobicContact CG2-CE1 3.88Å; V202-F256 HydrophobicContact CG2-CE2 3.86Å; V202-F256 HydrophobicContact CG2-CZ 3.52Å; F226-F256 HydrophobicContact CE2-CD2 4.04Å; F226-F256 HydrophobicContact CE2-CE2 4.29Å; F226-F256 AromaticContact CZ-CD2 3.96Å; F226-F256 HydrophobicContact CZ-CD2 3.96Å; F226-F256 AromaticContact CZ-CE2 3.94Å; F226-F256 HydrophobicContact CZ-CE2 3.94Å; V228-F256 HydrophobicContact CG1-CB 4.39Å; V228-F256 HydrophobicContact CG2-CB 3.97Å; V228-F256 HydrophobicContact CG2-CD1 3.88Å; V228-F256 HydrophobicContact CG2-CD2 4.33Å; V228-F256 HydrophobicContact CG2-CE1 4.47Å; V228-F256 HydrophobicContact CG2-CG 3.79Å; V244-F256 HydrophobicContact CG2-CD1 4.35Å; V244-F256 CarbonylContact O-C 3.44Å; V244-F256 WeakPolarHBondContact O-CA 3.45Å; V244-F256 WeakPolarHBondContact O-CB 3.46Å; V244-F256 VanDerWaalsContact O-CD1 3.31Å; V244-F256 WeakPolarHBondContact O-CD1 3.19Å; P246-F256 HydrophobicContact CB-CE1 4.09Å; P246-F256 HydrophobicContact CB-CE2 4.07Å; P246-F256 HydrophobicContact CB-CZ 3.77Å; P246-F256 VanDerWaalsContact CD-CE1 3.5Å; P246-F256 HydrophobicContact CG-CE1 4.34Å; P246-F256 HydrophobicContact CG-CZ 4.04Å; P246-F256 VanDerWaalsContact N-CE1 3.31Å; F256-I269 CarbonylContact O-C 3.59Å; F256-I269 VanDerWaalsContact O-CA 3.3Å; F256-I269 WeakPolarHBondContact O-CA 3.39Å; F256-R270 HydrophobicContact CB-CB 4.46Å; F256-R270 PolarHBondContact N-O 3.05Å; F256-R270 PolarHBondContact O-N 3.34Å; F256-A272 HydrophobicContact CD2-CB 3.9Å; F256-A272 HydrophobicContact CE2-CB 3.5Å; F256-A272 VanDerWaalsContact CE2-CB 3.5Å
257V79.1Confident69.4Low45 Ų4574.9 Ų74.927%0.27341%0.413SS..EExtended strand (participates in β ladder)trans-108.9119.2178-178.50000108.1V244 F247 V255 L267V244-V257 WeakPolarHBondContact CA-O 3.42Å; V244-V257 WeakPolarHBondContact CB-O 2.77Å; V244-V257 WeakPolarHBondContact CG1-O 3.35Å; V244-V257 PolarHBondContact O-N 3.46Å; F247-V257 HydrophobicContact CD2-CB 4.17Å; F247-V257 HydrophobicContact CD2-CG2 3.86Å; F247-V257 HydrophobicContact CE2-CB 4.17Å; F247-V257 HydrophobicContact CE2-CG2 4.33Å; V255-V257 HydrophobicContact CG2-CG2 4.38Å; V257-L267 HydrophobicContact CG1-CB 4.37Å; V257-L267 HydrophobicContact CG1-CD1 4.06Å; V257-L267 HydrophobicContact CG1-CD2 4.45Å
258Q74.3Confident69.9Low2 Ų275 Ų751%0.00941%0.411CS..EExtended strand (participates in β ladder)trans-127.7120.7-167.5-170.2-167.3-2500110.2V228 M229 V260 Y268V228-Q258 HydrophobicContact CG1-CB 4.18Å; V228-Q258 HydrophobicContact CG1-CG 3.95Å; M229-Q258 VanDerWaalsContact CB-NE2 3.3Å; M229-Q258 WeakPolarHBondContact O-CG 2.85Å; M229-Q258 PolarHBondContact O-NE2 3.21Å; Q258-V260 HydrophobicContact CB-CG2 4.33Å; Q258-V260 VanDerWaalsContact CD-CG2 3.5Å; Q258-V260 HydrophobicContact CG-CG2 3.63Å; Q258-Y268 WeakPolarHBondContact CB-O 3.46Å; Q258-Y268 PolarHBondContact N-O 3.43Å; Q258-Y268 PolarHBondContact O-N 3.29Å
259K71.2Confident70.8Confident79 Ų7977.1 Ų77.134%0.34341%0.413SS..  trans-90.9115.4167.1-168176.1-178.2-177.90108.8V261 T264 L267K259-V261 WeakPolarHBondContact CE-O 3.37Å; K259-T264 WeakPolarHBondContact CE-O 3.44Å; K259-L267 HydrophobicContact CB-CD2 3.95Å; K259-L267 HydrophobicContact CG-CD2 4.29Å
260V68.9Low72.3Confident38 Ų3873.6 Ų73.623%0.2339%0.391CS..  trans-106-2.6-170.2-169.80000112.6L231 Q258 Y268L231-V260 VanDerWaalsContact CD1-C 3.44Å; L231-V260 WeakPolarHBondContact CD1-O 3.14Å; L231-V260 WeakPolarHBondContact CG-O 3.14Å; Q258-V260 HydrophobicContact CB-CG2 4.33Å; Q258-V260 VanDerWaalsContact CD-CG2 3.5Å; Q258-V260 HydrophobicContact CG-CG2 3.63Å; V260-Y268 HydrophobicContact CB-CD2 3.78Å; V260-Y268 HydrophobicContact CB-CE2 3.84Å; V260-Y268 HydrophobicContact CG2-CD2 3.31Å; V260-Y268 HydrophobicContact CG2-CE2 3.89Å; V260-Y268 HydrophobicContact CG2-CG 4.06Å
261V72.9Confident73.9Confident74 Ų7470.4 Ų70.445%0.44838%0.379SS..SBendtrans-146.3127.3174.9-173.10000107.7K259 T264K259-V261 WeakPolarHBondContact CE-O 3.37Å; V261-T264 HydrophobicContact CB-CG2 3.43Å; V261-T264 VanDerWaalsContact CB-CG2 3.43Å; V261-T264 HydrophobicContact CG1-CG2 3.45Å; V261-T264 VanDerWaalsContact CG1-CG2 3.45Å; V261-T264 HydrophobicContact CG2-CG2 4.32Å; V261-T264 PolarHBondContact O-N 2.66Å; V261-T264 PolarHBondContact O-OG1 2.91Å
262P70.4Confident75.3Confident69 Ų6964 Ų6445%0.44834%0.344SS..THydrogen-bonded Turntrans-54.2148172-21.934.1000110.1L231 T264L231-P262 HydrophobicContact CD1-CG 4.48Å; P262-T264 PolarHBondContact O-N 3.25Å
263D72.1Confident76.2Confident156 Ų15663 Ų6383%0.83434%0.338SS*.THydrogen-bonded Turntrans60.79.5175-47.8-40.1000117.1
264T76Confident76.7Confident46 Ų4660.7 Ų60.728%0.28233%0.331SS..  trans-90.4148.7170660000112.3K259 V261 P262 Q266K259-T264 WeakPolarHBondContact CE-O 3.44Å; V261-T264 HydrophobicContact CB-CG2 3.43Å; V261-T264 VanDerWaalsContact CB-CG2 3.43Å; V261-T264 HydrophobicContact CG1-CG2 3.45Å; V261-T264 VanDerWaalsContact CG1-CG2 3.45Å; V261-T264 HydrophobicContact CG2-CG2 4.32Å; V261-T264 PolarHBondContact O-N 2.66Å; V261-T264 PolarHBondContact O-OG1 2.91Å; P262-T264 PolarHBondContact O-N 3.25Å; T264-Q266 VanDerWaalsContact C-N 3.26Å
265C75.1Confident77Confident138 Ų13860.1 Ų60.193%0.93233%0.331SS*.SBendtrans-86.35.4169.6-56.60000112.8
266Q73.4Confident77.3Confident133 Ų13364.6 Ų64.662%0.62135%0.35SS*.  trans-95.4127.4-178.7-68.2-176.1-11.400110.3T264T264-Q266 VanDerWaalsContact C-N 3.26Å
267L76.2Confident77.4Confident105 Ų10574 Ų7455%0.5539%0.385SS..  trans-112.7138.4172.9-64173.9000108.9V257 K259V257-L267 HydrophobicContact CG1-CB 4.37Å; V257-L267 HydrophobicContact CG1-CD1 4.06Å; V257-L267 HydrophobicContact CG1-CD2 4.45Å; K259-L267 HydrophobicContact CB-CD2 3.95Å; K259-L267 HydrophobicContact CG-CD2 4.29Å
268Y81Confident77.3Confident84 Ų8475.4 Ų75.433%0.32939%0.391SS..EExtended strand (participates in β ladder)trans-94.2118.9169.6-72-89.1000108.5Q258 V260Q258-Y268 WeakPolarHBondContact CB-O 3.46Å; Q258-Y268 PolarHBondContact N-O 3.43Å; Q258-Y268 PolarHBondContact O-N 3.29Å; V260-Y268 HydrophobicContact CB-CD2 3.78Å; V260-Y268 HydrophobicContact CB-CE2 3.84Å; V260-Y268 HydrophobicContact CG2-CD2 3.31Å; V260-Y268 HydrophobicContact CG2-CE2 3.89Å; V260-Y268 HydrophobicContact CG2-CG 4.06Å
269I83.9Confident77.4Confident87 Ų8779.3 Ų79.345%0.44641%0.411SS..EExtended strand (participates in β ladder)trans-94.6140.8170.5-57-179.5000106.5V255 F256 R277V255-I269 HydrophobicContact CB-CG2 3.69Å; V255-I269 HydrophobicContact CG1-CG2 3.91Å; V255-I269 HydrophobicContact CG2-CG2 4.07Å; F256-I269 CarbonylContact O-C 3.59Å; F256-I269 VanDerWaalsContact O-CA 3.3Å; F256-I269 WeakPolarHBondContact O-CA 3.39Å; I269-R277 WeakPolarHBondContact O-CA 2.98Å
270R84Confident77.8Confident33 Ų3379.3 Ų79.313%0.12541%0.414CS..EExtended strand (participates in β ladder)trans-131.3137.5171.8-71.4177.5179.9-89.913.2110.4V255 F256 A272 G275 E276 R277V255-R270 CarbonylContact C-O 3.26Å; V255-R270 WeakPolarHBondContact CA-O 3.4Å; V255-R270 WeakPolarHBondContact CB-O 3.31Å; F256-R270 HydrophobicContact CB-CB 4.46Å; F256-R270 PolarHBondContact N-O 3.05Å; F256-R270 PolarHBondContact O-N 3.34Å; R270-A272 PolarHBondContact O-N 3.34Å; R270-G275 PolarHBondContact NH1-O 3.05Å; R270-E276 CarbonylContact C-O 3.55Å; R270-E276 WeakPolarHBondContact CA-O 3.2Å; R270-R277 HydrophobicContact CG-CG 3.86Å; R270-R277 VanDerWaalsContact CZ-NE 3.3Å
271L81.7Confident78.3Confident41 Ų4181.7 Ų81.722%0.21543%0.425CS..EExtended strand (participates in β ladder)trans-62.4126.9169.2-64.7-177.7000109.4E253 V255 S273 T274 G275 E276E253-L271 HydrophobicContact CB-CD2 4.11Å; E253-L271 HydrophobicContact CG-CD2 4.47Å; E253-L271 WeakPolarHBondContact OE2-CD2 3.47Å; V255-L271 HydrophobicContact CG1-CD2 4.16Å; L271-S273 PolarHBondContact O-N 3.41Å; L271-T274 WeakPolarHBondContact CB-OG1 3.47Å; L271-G275 WeakPolarHBondContact O-CA 3.43Å; L271-G275 PolarHBondContact O-N 3.16Å; L271-E276 PolarHBondContact N-O 3.44Å
272A80.9Confident78.6Confident0 Ų082.2 Ų82.20%042%0.424CS..THydrogen-bonded Turntrans-68-30.8176.600000111.2V193 S204 P246 Q254 F256 R270V193-A272 HydrophobicContact CG1-CB 4.15Å; V193-A272 HydrophobicContact CG2-CB 3.88Å; S204-A272 WeakPolarHBondContact CB-O 2.92Å; S204-A272 PolarHBondContact OG-O 3.07Å; P246-A272 HydrophobicContact CB-CB 4.31Å; Q254-A272 HydrophobicContact CB-CB 3.62Å; Q254-A272 WeakPolarHBondContact O-CB 3.13Å; Q254-A272 PolarHBondContact O-N 2.85Å; F256-A272 HydrophobicContact CD2-CB 3.9Å; F256-A272 HydrophobicContact CE2-CB 3.5Å; F256-A272 VanDerWaalsContact CE2-CB 3.5Å; R270-A272 PolarHBondContact O-N 3.34Å
273S75.7Confident79.2Confident26 Ų2683.1 Ų83.118%0.18242%0.422CS..THydrogen-bonded Turntrans-64.4-48.3179.249.70000112.5A224 E253 L271A224-S273 WeakPolarHBondContact CB-O 3.37Å; E253-S273 PolarHBondContact OE1-OG 3.48Å; L271-S273 PolarHBondContact O-N 3.41Å
274T79.7Confident79.7Confident64 Ų6477.9 Ų77.939%0.39339%0.393SS..THydrogen-bonded Turntrans-112.8-24.1-171.263.90000114A224 L271 E276A224-T274 WeakPolarHBondContact CB-O 3.46Å; L271-T274 WeakPolarHBondContact CB-OG1 3.47Å; T274-E276 WeakPolarHBondContact OG1-CB 3.28Å; T274-E276 WeakPolarHBondContact OG1-CG 3.5Å; T274-E276 PolarHBondContact OG1-N 3.01Å; T274-E276 PolarHBondContact OG1-OE2 2.68Å
275G81Confident80Confident8 Ų880.3 Ų80.38%0.08240%0.401CS..  trans80.8-0.9-171.100000114.6F226 R270 L271F226-G275 VanDerWaalsContact CD1-CA 3.41Å; R270-G275 PolarHBondContact NH1-O 3.05Å; L271-G275 WeakPolarHBondContact O-CA 3.43Å; L271-G275 PolarHBondContact O-N 3.16Å
276E84.9Confident80.4Confident127 Ų12775.5 Ų75.559%0.59336%0.357SS*.  trans-64.4147.7176.7-67.3175.7152.200110.8R270 L271 T274R270-E276 CarbonylContact C-O 3.55Å; R270-E276 WeakPolarHBondContact CA-O 3.2Å; L271-E276 PolarHBondContact N-O 3.44Å; T274-E276 WeakPolarHBondContact OG1-CB 3.28Å; T274-E276 WeakPolarHBondContact OG1-CG 3.5Å; T274-E276 PolarHBondContact OG1-N 3.01Å; T274-E276 PolarHBondContact OG1-OE2 2.68Å
277R82.4Confident81Confident198 Ų19870.3 Ų70.375%0.74733%0.333SS*.  trans-94.30-178.2-69.1176.3178.2173.60.2111I269 R270I269-R277 WeakPolarHBondContact O-CA 2.98Å; R270-R277 HydrophobicContact CG-CG 3.86Å; R270-R277 VanDerWaalsContact CZ-NE 3.3Å

Retrieved 277 of 277 residues in 699.3 ms (Link to these results)

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