A0A087XFN5_POEFO Loading...

40S ribosomal protein S6

Component of the 40S small ribosomal subunit. Plays an important role in controlling cell growth and proliferation through the selective translation of particular classes of mRNA.

AlphaFold DB (A0A3B3UBB0), UniProt , Accession A0A087XFN5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 249 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
1M94.1Very high96.3Very high34 Ų3440.9 Ų40.917%0.16727%0.267CS..  0142.80179.8173.471.100108.3L3 V18 L24 L106 L109M1-L3 HydrophobicContact CE-CD2 3.81Å; M1-V18 PolarHBondContact N-O 3.27Å; M1-V18 PolarHBondContact O-N 2.76Å; M1-V18 VanDerWaalsContact O-O 3.07Å; M1-L24 HydrophobicContact CB-CD1 3.69Å; M1-L24 HydrophobicContact CE-CB 4.32Å; M1-L24 HydrophobicContact CE-CD1 3.88Å; M1-L24 HydrophobicContact CE-CD2 3.47Å; M1-L24 VanDerWaalsContact CE-CD2 3.47Å; M1-L24 HydrophobicContact CE-CG 4.08Å; M1-L106 HydrophobicContact SD-CB 3.91Å; M1-L109 HydrophobicContact CE-CB 4.21Å; M1-L109 HydrophobicContact CE-CD2 4.23Å; M1-L109 HydrophobicContact SD-CB 4.39Å
2K97.7Very high96.3Very high79 Ų7938.4 Ų38.434%0.34325%0.251SS..EExtended strand (participates in β ladder)trans-91.9135.6179.9-62.7-179.2179-175.70110.9L15 I16 E17 S107 V108 L109K2-L15 HydrophobicContact CB-CD1 4Å; K2-L15 HydrophobicContact CD-CD2 4.39Å; K2-I16 CarbonylContact C-O 3.53Å; K2-I16 WeakPolarHBondContact CA-O 3.36Å; K2-E17 WeakPolarHBondContact CE-OE1 3.47Å; K2-E17 HydrophobicContact CG-CG 4.47Å; K2-S107 PolarHBondContact N-O 3.44Å; K2-V108 HydrophobicContact CB-CG2 4.21Å; K2-V108 CarbonylContact O-C 3.54Å; K2-V108 VanDerWaalsContact O-CA 3.26Å; K2-V108 WeakPolarHBondContact O-CA 3.48Å; K2-L109 PolarHBondContact O-N 2.74Å
3L97.8Very high96.3Very high0 Ų046.5 Ų46.50%028%0.284CS..EExtended strand (participates in β ladder)trans-107.9116.6173.4-53.8-178.6000108.9M1 I5 L15 I16 V18 L24 F27 L41 L109 L111M1-L3 HydrophobicContact CE-CD2 3.81Å; L3-I5 HydrophobicContact CB-CD1 4.12Å; L3-I5 HydrophobicContact CB-CG1 4.04Å; L3-L15 WeakPolarHBondContact O-CA 3.43Å; L3-I16 HydrophobicContact CB-CD1 4.31Å; L3-I16 HydrophobicContact CB-CG1 3.75Å; L3-I16 HydrophobicContact CD1-CD1 4.2Å; L3-I16 HydrophobicContact CD1-CG1 4.42Å; L3-I16 HydrophobicContact CG-CG1 4.42Å; L3-I16 PolarHBondContact N-O 3.21Å; L3-I16 PolarHBondContact O-N 3.43Å; L3-V18 HydrophobicContact CD1-CG2 3.82Å; L3-V18 HydrophobicContact CG-CG2 4.15Å; L3-L24 HydrophobicContact CD1-CD2 4.38Å; L3-L24 HydrophobicContact CD2-CD2 4.24Å; L3-F27 HydrophobicContact CD1-CE2 4.34Å; L3-L41 HydrophobicContact CD1-CD1 4.34Å; L3-L41 HydrophobicContact CD1-CD2 3.98Å; L3-L109 WeakPolarHBondContact CA-O 3.46Å; L3-L109 HydrophobicContact CD2-CB 3.77Å; L3-L109 HydrophobicContact CD2-CD2 4.13Å; L3-L109 HydrophobicContact CD2-CG 4.48Å; L3-L111 HydrophobicContact CB-CD1 4.35Å; L3-L111 HydrophobicContact CD1-CD1 4.17Å; L3-L111 HydrophobicContact CD2-CD1 4.33Å
4N98.1Very high96.3Very high48 Ų4848.6 Ų48.626%0.25729%0.287SS..EExtended strand (participates in β ladder)trans-97.9103.1175.3179.625.7000108.9L15 V108 L109 N110 L111N4-L15 HydrophobicContact CB-CD1 3.82Å; N4-V108 HydrophobicContact CB-CG1 3.82Å; N4-L109 PolarHBondContact N-O 2.99Å; N4-N110 WeakPolarHBondContact CB-OD1 3.47Å; N4-N110 PolarHBondContact ND2-OD1 3.04Å; N4-N110 CarbonylContact O-C 3.55Å; N4-N110 WeakPolarHBondContact O-CA 3.47Å; N4-L111 PolarHBondContact O-N 3.15Å
5I97.9Very high96.4Very high1 Ų152.2 Ų52.21%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-108.4132.1-168.3-46.5-178000109L3 Q13 K14 I16 W45 L111 I113 L124L3-I5 HydrophobicContact CB-CD1 4.12Å; L3-I5 HydrophobicContact CB-CG1 4.04Å; I5-Q13 CarbonylContact O-C 3.57Å; I5-Q13 VanDerWaalsContact O-CA 3.25Å; I5-Q13 WeakPolarHBondContact O-CA 3.35Å; I5-K14 PolarHBondContact N-O 2.96Å; I5-K14 PolarHBondContact O-N 3.22Å; I5-I16 HydrophobicContact CD1-CD1 3.67Å; I5-I16 HydrophobicContact CD1-CG1 4.04Å; I5-W45 HydrophobicContact CB-CH2 4.38Å; I5-W45 HydrophobicContact CD1-CH2 3.26Å; I5-W45 HydrophobicContact CD1-CZ2 3.65Å; I5-W45 HydrophobicContact CD1-CZ3 4Å; I5-W45 HydrophobicContact CG1-CH2 4.37Å; I5-W45 HydrophobicContact CG2-CH2 3.94Å; I5-W45 HydrophobicContact CG2-CZ3 4.19Å; I5-L111 WeakPolarHBondContact CA-O 3.43Å; I5-L111 HydrophobicContact CD1-CD1 4.28Å; I5-L111 HydrophobicContact CG1-CB 4.18Å; I5-L111 HydrophobicContact CG1-CD1 4.22Å; I5-L111 HydrophobicContact CG2-CB 4.27Å; I5-I113 HydrophobicContact CG2-CD1 4.17Å; I5-I113 HydrophobicContact CG2-CG1 4.02Å; I5-L124 HydrophobicContact CB-CD2 4.41Å; I5-L124 HydrophobicContact CG2-CD2 3.95Å; I5-L124 WeakPolarHBondContact O-CD1 3.41Å
6S97.8Very high96.4Very high37 Ų3751.3 Ų51.326%0.25930%0.297SS..EExtended strand (participates in β ladder)trans-121.9144.3177.759.80000111.3L111 I113S6-L111 PolarHBondContact N-O 3.2Å; S6-L111 PolarHBondContact OG-O 3.1Å; S6-I113 PolarHBondContact O-N 3.36Å
7F97.3Very high96.3Very high23 Ų2355.5 Ų55.510%0.10131%0.313CS..EExtended strand (participates in β ladder)trans-115.6100.9171.1-172.4-147.3000110.3A9 T10 G11 C12 I113 K116 L124 T125F7-A9 HydrophobicContact CD1-CB 4.4Å; F7-A9 HydrophobicContact CD2-CB 4.21Å; F7-A9 HydrophobicContact CE1-CB 3.91Å; F7-A9 HydrophobicContact CE2-CB 3.7Å; F7-A9 HydrophobicContact CZ-CB 3.53Å; F7-A9 PolarHBondContact O-N 3.13Å; F7-A9 VanDerWaalsContact O-N 3.16Å; F7-T10 HydrophobicContact CD1-CG2 3.45Å; F7-T10 VanDerWaalsContact CD1-CG2 3.45Å; F7-T10 WeakPolarHBondContact CD1-OG1 3.4Å; F7-T10 HydrophobicContact CE1-CG2 3.56Å; F7-T10 PolarHBondContact O-N 3.13Å; F7-T10 PolarHBondContact O-OG1 2.98Å; F7-G11 PolarHBondContact O-N 2.97Å; F7-C12 PolarHBondContact N-O 3.4Å; F7-I113 HydrophobicContact CB-CD1 4.28Å; F7-I113 HydrophobicContact CD2-CB 3.75Å; F7-I113 HydrophobicContact CD2-CG2 3.71Å; F7-I113 HydrophobicContact CE2-CB 4.41Å; F7-I113 HydrophobicContact CE2-CG2 3.87Å; F7-I113 HydrophobicContact CG-CB 4.45Å; F7-K116 HydrophobicContact CZ-CB 4.32Å; F7-L124 HydrophobicContact CB-CG 4.24Å; F7-T125 HydrophobicContact CD1-CG2 3.81Å; F7-T125 HydrophobicContact CE1-CG2 4.03Å; F7-T125 HydrophobicContact CG-CG2 4.45Å
8P96.5Very high96.3Very high82 Ų8253.3 Ų53.353%0.53230%0.301SS..THydrogen-bonded Turntrans-63.3-23.2-173.8-2635.3000115.1V112P8-V112 HydrophobicContact CG-CG1 3.53Å
9A94.7Very high96.1Very high83 Ų8357.3 Ų57.369%0.68632%0.322SS*.THydrogen-bonded Turntrans-69-41.7179.800000111.7F7F7-A9 HydrophobicContact CD1-CB 4.4Å; F7-A9 HydrophobicContact CD2-CB 4.21Å; F7-A9 HydrophobicContact CE1-CB 3.91Å; F7-A9 HydrophobicContact CE2-CB 3.7Å; F7-A9 HydrophobicContact CZ-CB 3.53Å; F7-A9 PolarHBondContact O-N 3.13Å; F7-A9 VanDerWaalsContact O-N 3.16Å
10T93.9Very high96.1Very high14 Ų1458.2 Ų58.29%0.08633%0.325CS..THydrogen-bonded Turntrans-92.4-24.6178.158.50000112.8F7 C12 L124 S127 T128 V129F7-T10 HydrophobicContact CD1-CG2 3.45Å; F7-T10 VanDerWaalsContact CD1-CG2 3.45Å; F7-T10 WeakPolarHBondContact CD1-OG1 3.4Å; F7-T10 HydrophobicContact CE1-CG2 3.56Å; F7-T10 PolarHBondContact O-N 3.13Å; F7-T10 PolarHBondContact O-OG1 2.98Å; T10-C12 VanDerWaalsContact C-N 3.3Å; T10-C12 PolarHBondContact OG1-N 3.36Å; T10-L124 PolarHBondContact OG1-O 3.2Å; T10-S127 VanDerWaalsContact CB-O 3.25Å; T10-S127 WeakPolarHBondContact CB-O 3.42Å; T10-T128 HydrophobicContact CG2-CG2 3.98Å; T10-V129 PolarHBondContact O-N 3.08Å
11G93.9Very high95.9Very high49 Ų4959.6 Ų59.651%0.50533%0.329SS..THydrogen-bonded Turntrans80.89.1-174.500000114F7F7-G11 PolarHBondContact O-N 2.97Å
12C96.1Very high95.9Very high11 Ų1167.3 Ų67.37%0.07436%0.357CS..EExtended strand (participates in β ladder)trans-86.1156.4177.6-62.50000111.7F7 T10 L124 S127F7-C12 PolarHBondContact N-O 3.4Å; T10-C12 VanDerWaalsContact C-N 3.3Å; T10-C12 PolarHBondContact OG1-N 3.36Å; C12-L124 WeakPolarHBondContact CB-O 3.44Å; C12-S127 PolarHBondContact SG-O 3.13Å
13Q96.8Very high95.8Very high144 Ų14467 Ų6767%0.67336%0.355SS*.EExtended strand (participates in β ladder)trans-141.3147.3174.967.2-179.810.900110I5I5-Q13 CarbonylContact O-C 3.57Å; I5-Q13 VanDerWaalsContact O-CA 3.25Å; I5-Q13 WeakPolarHBondContact O-CA 3.35Å
14K95.9Very high95.7Very high75 Ų7567.2 Ų67.233%0.32636%0.357SS..EExtended strand (participates in β ladder)trans-140.9132.6178.4-168.1175.1-176176.60109.7I5 I16 P122 L124I5-K14 PolarHBondContact N-O 2.96Å; I5-K14 PolarHBondContact O-N 3.22Å; K14-I16 HydrophobicContact CD-CG2 4.25Å; K14-I16 HydrophobicContact CG-CG2 4.14Å; K14-P122 WeakPolarHBondContact CD-O 3.38Å; K14-P122 PolarHBondContact NZ-O 3.18Å; K14-L124 HydrophobicContact CB-CD1 3.87Å
15L97.3Very high95.5Very high103 Ų10371.9 Ų71.954%0.53937%0.37SS..EExtended strand (participates in β ladder)trans-95.2124.9170.6-173.870.4000107.8K2 L3 N4K2-L15 HydrophobicContact CB-CD1 4Å; K2-L15 HydrophobicContact CD-CD2 4.39Å; L3-L15 WeakPolarHBondContact O-CA 3.43Å; N4-L15 HydrophobicContact CB-CD1 3.82Å
16I96.2Very high95.4Very high37 Ų3773.7 Ų73.719%0.1938%0.38CS..EExtended strand (participates in β ladder)trans-119.4145.417364173.6000109.5K2 L3 I5 K14 V18 W45K2-I16 CarbonylContact C-O 3.53Å; K2-I16 WeakPolarHBondContact CA-O 3.36Å; L3-I16 HydrophobicContact CB-CD1 4.31Å; L3-I16 HydrophobicContact CB-CG1 3.75Å; L3-I16 HydrophobicContact CD1-CD1 4.2Å; L3-I16 HydrophobicContact CD1-CG1 4.42Å; L3-I16 HydrophobicContact CG-CG1 4.42Å; L3-I16 PolarHBondContact N-O 3.21Å; L3-I16 PolarHBondContact O-N 3.43Å; I5-I16 HydrophobicContact CD1-CD1 3.67Å; I5-I16 HydrophobicContact CD1-CG1 4.04Å; K14-I16 HydrophobicContact CD-CG2 4.25Å; K14-I16 HydrophobicContact CG-CG2 4.14Å; I16-V18 HydrophobicContact CD1-CG2 4.02Å; I16-V18 HydrophobicContact CG1-CG2 4.15Å; I16-W45 HydrophobicContact CD1-CZ2 4.1Å
17E96Very high95.4Very high124 Ų12472 Ų7258%0.57937%0.368SS*.EExtended strand (participates in β ladder)trans-100126.6173.9-171.9146.4-137.100108.4K2K2-E17 WeakPolarHBondContact CE-OE1 3.47Å; K2-E17 HydrophobicContact CG-CG 4.47Å
18V95.5Very high95.4Very high15 Ų1572.7 Ų72.79%0.09137%0.37CS..  trans-127.8112.7-178.6-177.30000108.1M1 L3 I16 K23 L24M1-V18 PolarHBondContact N-O 3.27Å; M1-V18 PolarHBondContact O-N 2.76Å; M1-V18 VanDerWaalsContact O-O 3.07Å; L3-V18 HydrophobicContact CD1-CG2 3.82Å; L3-V18 HydrophobicContact CG-CG2 4.15Å; I16-V18 HydrophobicContact CD1-CG2 4.02Å; I16-V18 HydrophobicContact CG1-CG2 4.15Å; V18-K23 HydrophobicContact CG1-CB 3.91Å; V18-K23 HydrophobicContact CG1-CD 4.15Å; V18-L24 HydrophobicContact CB-CD2 4.02Å; V18-L24 HydrophobicContact CG1-CD2 3.81Å; V18-L24 HydrophobicContact CG1-CG 4.08Å
19D93.5Very high95.3Very high130 Ų13075.1 Ų75.170%0.69537%0.374SS*.  trans-99.8-22.4-179.4-60.8-35.6000112.6E21D19-E21 PolarHBondContact O-N 3.04Å
20D94.5Very high95.5Very high74 Ų7475.6 Ų75.640%0.39636%0.361SS..  trans-70.4112.2175.9-177.1-2000111.1R22 K23D20-R22 VanDerWaalsContact C-N 3.25Å; D20-R22 PolarHBondContact O-N 3.48Å; D20-R22 WeakPolarHBondContact OD1-CB 3.41Å; D20-R22 PolarHBondContact OD1-N 3.29Å; D20-K23 HydrophobicContact CB-CD 4.2Å; D20-K23 HydrophobicContact CB-CG 4.1Å; D20-K23 PolarHBondContact O-N 3.18Å
21E92.8Very high95.6Very high88 Ų8881 Ų8141%0.41138%0.38SS..Hα-helixtrans-62.6-30.4-179.9-163.1-171-151.800112.6D19 K23 L24 R25 Y28D19-E21 PolarHBondContact O-N 3.04Å; E21-K23 PolarHBondContact O-N 2.84Å; E21-L24 WeakPolarHBondContact O-CA 3.47Å; E21-L24 PolarHBondContact O-N 3.46Å; E21-R25 HydrophobicContact CG-CG 4.38Å; E21-R25 WeakPolarHBondContact O-CG 3.37Å; E21-R25 PolarHBondContact O-N 3.31Å; E21-R25 IonicContact OE2-CZ 3.28Å; E21-R25 IonicContact OE2-NE 3.97Å; E21-R25 IonicContact OE2-NH2 3.27Å; E21-R25 PolarHBondContact OE2-NH2 3.45Å; E21-Y28 HydrophobicContact CG-CE2 4.23Å
22R94Very high95.8Very high197 Ų19779.8 Ų79.874%0.74336%0.361SS*.Hα-helixtrans-60.4-38.9179.9-64.9-180177.1-1750111.3D20 L24D20-R22 VanDerWaalsContact C-N 3.25Å; D20-R22 PolarHBondContact O-N 3.48Å; D20-R22 WeakPolarHBondContact OD1-CB 3.41Å; D20-R22 PolarHBondContact OD1-N 3.29Å; R22-L24 VanDerWaalsContact C-N 3.28Å; R22-L24 PolarHBondContact O-N 3.37Å
23K95Very high95.9Very high71 Ų7182 Ų8231%0.30938%0.38SS..Hα-helixtrans-68.1-27.5175.4-58.3-171.1172.9-165.50112.6V18 D20 E21 I26 P40 L41V18-K23 HydrophobicContact CG1-CB 3.91Å; V18-K23 HydrophobicContact CG1-CD 4.15Å; D20-K23 HydrophobicContact CB-CD 4.2Å; D20-K23 HydrophobicContact CB-CG 4.1Å; D20-K23 PolarHBondContact O-N 3.18Å; E21-K23 PolarHBondContact O-N 2.84Å; K23-I26 WeakPolarHBondContact O-CG1 3.43Å; K23-P40 WeakPolarHBondContact CG-O 3.48Å; K23-L41 HydrophobicContact CB-CD2 4.12Å; K23-L41 WeakPolarHBondContact CD-O 3.26Å; K23-L41 VanDerWaalsContact CE-O 3.31Å; K23-L41 WeakPolarHBondContact CE-O 3.41Å; K23-L41 PolarHBondContact NZ-O 2.82Å
24L95.3Very high95.9Very high6 Ų677.6 Ų77.63%0.03136%0.363CS..Hα-helixtrans-88.2-28.2-177.6-61.6-177.5000113.7M1 L3 V18 E21 R22 I26 F27 Y28M1-L24 HydrophobicContact CB-CD1 3.69Å; M1-L24 HydrophobicContact CE-CB 4.32Å; M1-L24 HydrophobicContact CE-CD1 3.88Å; M1-L24 HydrophobicContact CE-CD2 3.47Å; M1-L24 VanDerWaalsContact CE-CD2 3.47Å; M1-L24 HydrophobicContact CE-CG 4.08Å; L3-L24 HydrophobicContact CD1-CD2 4.38Å; L3-L24 HydrophobicContact CD2-CD2 4.24Å; V18-L24 HydrophobicContact CB-CD2 4.02Å; V18-L24 HydrophobicContact CG1-CD2 3.81Å; V18-L24 HydrophobicContact CG1-CG 4.08Å; E21-L24 WeakPolarHBondContact O-CA 3.47Å; E21-L24 PolarHBondContact O-N 3.46Å; R22-L24 VanDerWaalsContact C-N 3.28Å; R22-L24 PolarHBondContact O-N 3.37Å; L24-I26 PolarHBondContact O-N 2.69Å; L24-I26 VanDerWaalsContact O-N 3.09Å; L24-F27 PolarHBondContact O-N 3.29Å; L24-Y28 HydrophobicContact CB-CE1 4.17Å
25R95.1Very high96Very high145 Ų14579.5 Ų79.555%0.54737%0.373SS..Hα-helixtrans-54.5-30.8-177.8-79.2175.5-166.9-1622113.7E21 F27 Y28E21-R25 HydrophobicContact CG-CG 4.38Å; E21-R25 WeakPolarHBondContact O-CG 3.37Å; E21-R25 PolarHBondContact O-N 3.31Å; E21-R25 IonicContact OE2-CZ 3.28Å; E21-R25 IonicContact OE2-NE 3.97Å; E21-R25 IonicContact OE2-NH2 3.27Å; E21-R25 PolarHBondContact OE2-NH2 3.45Å; R25-F27 PolarHBondContact O-N 2.9Å; R25-Y28 HydrophobicContact CB-CD2 4.46Å; R25-Y28 HydrophobicContact CG-CD2 4.11Å; R25-Y28 HydrophobicContact CG-CE2 4.22Å; R25-Y28 PolarHBondContact O-N 2.96Å; R25-Y28 VanDerWaalsContact O-N 3.15Å
26I96.2Very high96Very high40 Ų4075.3 Ų75.321%0.20535%0.352CS..THydrogen-bonded Turntrans-60.9-26.4177.669.1179.8000113.1K23 L24 V36 P40K23-I26 WeakPolarHBondContact O-CG1 3.43Å; L24-I26 PolarHBondContact O-N 2.69Å; L24-I26 VanDerWaalsContact O-N 3.09Å; I26-V36 HydrophobicContact CB-CG1 4.32Å; I26-V36 HydrophobicContact CD1-CG1 4.36Å; I26-V36 HydrophobicContact CG1-CG1 4.26Å; I26-P40 HydrophobicContact CD1-CB 4.24Å; I26-P40 HydrophobicContact CD1-CG 4.29Å; I26-P40 HydrophobicContact CG2-CB 4.05Å; I26-P40 HydrophobicContact CG2-CG 3.99Å
27F97.1Very high96.1Very high0 Ų076 Ų760%036%0.363CS..THydrogen-bonded Turntrans-91-21.3179-57.7-66.6000113L3 L24 R25 K30 V36 L41 V50 I52 V102 L109 L111L3-F27 HydrophobicContact CD1-CE2 4.34Å; L24-F27 PolarHBondContact O-N 3.29Å; R25-F27 PolarHBondContact O-N 2.9Å; F27-K30 WeakPolarHBondContact O-CB 3.33Å; F27-K30 PolarHBondContact O-N 3.19Å; F27-V36 HydrophobicContact CD1-CB 4.36Å; F27-V36 HydrophobicContact CD1-CG1 4.22Å; F27-V36 HydrophobicContact CD1-CG2 4.42Å; F27-V36 HydrophobicContact CE1-CB 4.24Å; F27-V36 HydrophobicContact CE1-CG1 4.14Å; F27-L41 HydrophobicContact CE2-CD2 3.89Å; F27-L41 HydrophobicContact CZ-CD1 4.22Å; F27-L41 HydrophobicContact CZ-CD2 4.3Å; F27-L41 HydrophobicContact CZ-CG 4.45Å; F27-V50 HydrophobicContact CE1-CG2 3.83Å; F27-V50 HydrophobicContact CZ-CG2 4.29Å; F27-I52 HydrophobicContact CB-CD1 4.5Å; F27-I52 HydrophobicContact CD1-CD1 4.16Å; F27-I52 HydrophobicContact CD1-CG1 4.18Å; F27-V102 HydrophobicContact CB-CG1 4.22Å; F27-V102 VanDerWaalsContact O-CB 3.32Å; F27-V102 WeakPolarHBondContact O-CB 3.39Å; F27-V102 WeakPolarHBondContact O-CG1 3.34Å; F27-L109 HydrophobicContact CB-CD2 3.91Å; F27-L109 HydrophobicContact CD1-CD2 4.25Å; F27-L109 HydrophobicContact CD2-CD2 4.26Å; F27-L109 HydrophobicContact CG-CD2 3.88Å; F27-L111 HydrophobicContact CD1-CD2 4.36Å; F27-L111 HydrophobicContact CE1-CD1 4.08Å; F27-L111 HydrophobicContact CE1-CD2 4.08Å; F27-L111 HydrophobicContact CE2-CD1 4.5Å; F27-L111 HydrophobicContact CZ-CD1 3.85Å
28Y96.7Very high96.1Very high38 Ų3870 Ų7015%0.14934%0.335CS..THydrogen-bonded Turntrans-65.2150.9-179.7-62.2-16.3000111E21 L24 R25 K30 V102 A104E21-Y28 HydrophobicContact CG-CE2 4.23Å; L24-Y28 HydrophobicContact CB-CE1 4.17Å; R25-Y28 HydrophobicContact CB-CD2 4.46Å; R25-Y28 HydrophobicContact CG-CD2 4.11Å; R25-Y28 HydrophobicContact CG-CE2 4.22Å; R25-Y28 PolarHBondContact O-N 2.96Å; R25-Y28 VanDerWaalsContact O-N 3.15Å; Y28-K30 PolarHBondContact O-N 2.98Å; Y28-V102 HydrophobicContact CD1-CG1 4.17Å; Y28-A104 HydrophobicContact CE1-CB 4.34Å; Y28-A104 HydrophobicContact CE2-CB 4.2Å
29E95.7Very high96.1Very high134 Ų13472.7 Ų72.763%0.62635%0.349SS*.THydrogen-bonded Turntrans61.42.7-175.6-60.4-59.2138.300114.6H70 V102E29-H70 IonicContact OE1-CE1 2.87Å; E29-H70 PolarHBondContact OE1-CE1 3.48Å; E29-H70 VanDerWaalsContact OE1-CE1 3.27Å; E29-H70 IonicContact OE1-ND1 3.69Å; E29-H70 IonicContact OE2-CE1 3.63Å; E29-H70 PolarHBondContact OE2-CE1 3.46Å; E29-H70 VanDerWaalsContact OE2-CE1 3.28Å; E29-H70 IonicContact OE2-NE2 2.69Å; E29-V102 PolarHBondContact N-O 3.05Å; E29-V102 VanDerWaalsContact N-O 3.08Å
30K97.6Very high96.1Very high93 Ų9369.8 Ų69.840%0.40434%0.337SS..PPolyproline II helixtrans-88.2150.4172.7-53.7-56.7-178.7-178.90110.5F27 Y28 V36 I52 V102F27-K30 WeakPolarHBondContact O-CB 3.33Å; F27-K30 PolarHBondContact O-N 3.19Å; Y28-K30 PolarHBondContact O-N 2.98Å; K30-V36 HydrophobicContact CG-CG2 4.21Å; K30-I52 HydrophobicContact CB-CD1 3.61Å; K30-I52 HydrophobicContact CG-CD1 4.44Å; K30-V102 PolarHBondContact O-N 3.12Å
31R97.6Very high96.1Very high127 Ų12766.5 Ų66.548%0.47932%0.319SS..BIsolated β-bridgetrans-93.1156.2175.7-65.1179-176.6179.90.8110.7T34 C100 I101R31-T34 WeakPolarHBondContact O-CB 2.98Å; R31-T34 PolarHBondContact O-N 3.13Å; R31-T34 PolarHBondContact O-OG1 3.42Å; R31-C100 WeakPolarHBondContact CA-O 3.46Å; R31-I101 HydrophobicContact CG-CG1 4.22Å
32M97.4Very high96.1Very high24 Ų2463.1 Ų63.112%0.11831%0.308CS..THydrogen-bonded Turntrans-52145.9164.6-68174.661.500111.6T34 S53 M63 Q65 C100M32-T34 VanDerWaalsContact C-N 3.25Å; M32-T34 PolarHBondContact O-N 3.09Å; M32-S53 WeakPolarHBondContact CE-O 3.44Å; M32-M63 HydrophobicContact CG-CE 3.88Å; M32-M63 HydrophobicContact SD-CB 3.62Å; M32-M63 HydrophobicContact SD-CE 4.24Å; M32-Q65 HydrophobicContact CE-CB 4.25Å; M32-Q65 PolarHBondContact O-NE2 2.9Å; M32-Q65 VanDerWaalsContact O-NE2 3.15Å; M32-C100 HydrophobicContact CB-CB 4.29Å; M32-C100 HydrophobicContact CG-CB 4.08Å; M32-C100 PolarHBondContact N-O 2.89Å; M32-C100 HydrophobicContact SD-CB 3.95Å
33A97.2Very high96Very high57 Ų5760 Ų6047%0.47131%0.306SS..THydrogen-bonded Turntrans69.77-17300000116I52A33-I52 WeakPolarHBondContact CA-O 3.43Å; A33-I52 PolarHBondContact N-O 3.2Å
34T97.9Very high96Very high51 Ų5160.8 Ų60.831%0.31331%0.311SS..  trans-80.4139.2171.7-480000110.7R31 M32 R51 I52R31-T34 WeakPolarHBondContact O-CB 2.98Å; R31-T34 PolarHBondContact O-N 3.13Å; R31-T34 PolarHBondContact O-OG1 3.42Å; M32-T34 VanDerWaalsContact C-N 3.25Å; M32-T34 PolarHBondContact O-N 3.09Å; T34-R51 WeakPolarHBondContact O-CA 3.4Å; T34-I52 PolarHBondContact O-N 3.4Å
35E98.1Very high96Very high115 Ų11560.8 Ų60.854%0.53731%0.31SS..EExtended strand (participates in β ladder)trans-87.9134.5171.8-66.2-178.8-178.400110.2V49 V50 R51E35-V49 HydrophobicContact CB-CG1 3.97Å; E35-V50 CarbonylContact C-O 3.52Å; E35-V50 WeakPolarHBondContact CA-O 3.38Å; E35-R51 HydrophobicContact CG-CB 4.21Å; E35-R51 HydrophobicContact CG-CG 4.33Å
36V97.5Very high96.1Very high16 Ų1659.7 Ų59.710%0.09731%0.31CS..EExtended strand (participates in β ladder)trans-135.3135.5-175.9-175.80000107.9I26 F27 K30 A38 V50 I52I26-V36 HydrophobicContact CB-CG1 4.32Å; I26-V36 HydrophobicContact CD1-CG1 4.36Å; I26-V36 HydrophobicContact CG1-CG1 4.26Å; F27-V36 HydrophobicContact CD1-CB 4.36Å; F27-V36 HydrophobicContact CD1-CG1 4.22Å; F27-V36 HydrophobicContact CD1-CG2 4.42Å; F27-V36 HydrophobicContact CE1-CB 4.24Å; F27-V36 HydrophobicContact CE1-CG1 4.14Å; K30-V36 HydrophobicContact CG-CG2 4.21Å; V36-A38 PolarHBondContact O-N 2.88Å; V36-V50 PolarHBondContact N-O 3.49Å; V36-V50 WeakPolarHBondContact O-CG2 3.46Å; V36-V50 PolarHBondContact O-N 2.91Å; V36-I52 HydrophobicContact CG2-CD1 4.11Å; V36-I52 HydrophobicContact CG2-CG1 4.49Å
37A97.4Very high96Very high50 Ų5059.2 Ų59.241%0.41332%0.315SS..EExtended strand (participates in β ladder)trans-67127.8171.900000109.5
38A96.2Very high96.1Very high0 Ų059.2 Ų59.20%032%0.315CS..  trans-91.40.1-175.700000113.3V36 P40 L41 W45 Y48 V50V36-A38 PolarHBondContact O-N 2.88Å; A38-P40 VanDerWaalsContact C-N 3.26Å; A38-P40 VanDerWaalsContact O-N 3.13Å; A38-L41 HydrophobicContact CB-CD1 4.1Å; A38-L41 VanDerWaalsContact O-CB 3.29Å; A38-L41 WeakPolarHBondContact O-CB 3.45Å; A38-L41 WeakPolarHBondContact O-CG 3.48Å; A38-L41 PolarHBondContact O-N 3.3Å; A38-W45 HydrophobicContact CB-CB 4.22Å; A38-W45 HydrophobicContact CB-CE3 4.07Å; A38-W45 VanDerWaalsContact O-CB 3.23Å; A38-W45 WeakPolarHBondContact O-CB 3.36Å; A38-Y48 WeakPolarHBondContact CB-O 3.45Å; A38-Y48 PolarHBondContact N-O 3.48Å; A38-V50 HydrophobicContact CB-CG1 4.01Å; A38-V50 HydrophobicContact CB-CG2 4.07Å
39D95.3Very high96.1Very high71 Ų7159.1 Ų59.138%0.3832%0.318SS..G310 helixtrans-48-41.1-178.2-45.6-48.8000113.5L41 G42 K46 G47D39-L41 PolarHBondContact O-N 3.21Å; D39-L41 VanDerWaalsContact O-N 3.11Å; D39-G42 PolarHBondContact O-N 3.12Å; D39-K46 WeakPolarHBondContact OD1-CA 3.42Å; D39-G47 PolarHBondContact OD1-N 3.21Å
40P94.1Very high96.2Very high68 Ų6852.7 Ų52.744%0.44229%0.288SS..G310 helixtrans-70.9-6.1-178.1-23.439.2000115K23 I26 A38 G42K23-P40 WeakPolarHBondContact CG-O 3.48Å; I26-P40 HydrophobicContact CD1-CB 4.24Å; I26-P40 HydrophobicContact CD1-CG 4.29Å; I26-P40 HydrophobicContact CG2-CB 4.05Å; I26-P40 HydrophobicContact CG2-CG 3.99Å; A38-P40 VanDerWaalsContact C-N 3.26Å; A38-P40 VanDerWaalsContact O-N 3.13Å; P40-G42 VanDerWaalsContact C-N 3.34Å
41L93.4Very high96.3Very high6 Ų653.1 Ų53.13%0.03129%0.287CS..G310 helixtrans-71.8-29.6175-68.4-179.5000112.4L3 K23 F27 A38 D39 W45L3-L41 HydrophobicContact CD1-CD1 4.34Å; L3-L41 HydrophobicContact CD1-CD2 3.98Å; K23-L41 HydrophobicContact CB-CD2 4.12Å; K23-L41 WeakPolarHBondContact CD-O 3.26Å; K23-L41 VanDerWaalsContact CE-O 3.31Å; K23-L41 WeakPolarHBondContact CE-O 3.41Å; K23-L41 PolarHBondContact NZ-O 2.82Å; F27-L41 HydrophobicContact CE2-CD2 3.89Å; F27-L41 HydrophobicContact CZ-CD1 4.22Å; F27-L41 HydrophobicContact CZ-CD2 4.3Å; F27-L41 HydrophobicContact CZ-CG 4.45Å; A38-L41 HydrophobicContact CB-CD1 4.1Å; A38-L41 VanDerWaalsContact O-CB 3.29Å; A38-L41 WeakPolarHBondContact O-CB 3.45Å; A38-L41 WeakPolarHBondContact O-CG 3.48Å; A38-L41 PolarHBondContact O-N 3.3Å; D39-L41 PolarHBondContact O-N 3.21Å; D39-L41 VanDerWaalsContact O-N 3.11Å; L41-W45 HydrophobicContact CB-CB 4.12Å; L41-W45 HydrophobicContact CB-CD2 4.37Å; L41-W45 HydrophobicContact CB-CG 3.76Å; L41-W45 HydrophobicContact CD1-CD2 4.04Å; L41-W45 HydrophobicContact CD1-CE3 4.32Å; L41-W45 HydrophobicContact CD1-CG 4.25Å
42G93.3Very high96.3Very high17 Ų1747 Ų4718%0.17526%0.264CS..  trans159.1166.3-177.600000111.9D39 P40 E44 W45D39-G42 PolarHBondContact O-N 3.12Å; P40-G42 VanDerWaalsContact C-N 3.34Å; G42-E44 PolarHBondContact O-N 3.47Å; G42-W45 WeakPolarHBondContact O-CB 3.32Å; G42-W45 PolarHBondContact O-N 3.3Å
43D93Very high96.3Very high130 Ų13048.3 Ų48.370%0.69528%0.275SS*.G310 helixtrans-62.2-27.8-177.3-69.3-24000113.2W45 K46D43-W45 PolarHBondContact O-N 3.47Å; D43-K46 WeakPolarHBondContact O-CB 3.49Å; D43-K46 PolarHBondContact O-N 3.45Å
44E93.9Very high96.3Very high88 Ų8845.9 Ų45.941%0.41126%0.255SS..G310 helixtrans-70.5-17.6174.973.7-81.8-16800113.3G42 Y48 I121G42-E44 PolarHBondContact O-N 3.47Å; E44-Y48 WeakPolarHBondContact O-CE2 3.05Å; E44-I121 HydrophobicContact CG-CG1 4.48Å
45W95.3Very high96.3Very high6 Ų643.7 Ų43.72%0.02324%0.243CC..G310 helixtrans-94.94.7178.1-63.690.3000113.3I5 I16 A38 L41 G42 D43 G47 Y48 I113 I121 L124I5-W45 HydrophobicContact CB-CH2 4.38Å; I5-W45 HydrophobicContact CD1-CH2 3.26Å; I5-W45 HydrophobicContact CD1-CZ2 3.65Å; I5-W45 HydrophobicContact CD1-CZ3 4Å; I5-W45 HydrophobicContact CG1-CH2 4.37Å; I5-W45 HydrophobicContact CG2-CH2 3.94Å; I5-W45 HydrophobicContact CG2-CZ3 4.19Å; I16-W45 HydrophobicContact CD1-CZ2 4.1Å; A38-W45 HydrophobicContact CB-CB 4.22Å; A38-W45 HydrophobicContact CB-CE3 4.07Å; A38-W45 VanDerWaalsContact O-CB 3.23Å; A38-W45 WeakPolarHBondContact O-CB 3.36Å; L41-W45 HydrophobicContact CB-CB 4.12Å; L41-W45 HydrophobicContact CB-CD2 4.37Å; L41-W45 HydrophobicContact CB-CG 3.76Å; L41-W45 HydrophobicContact CD1-CD2 4.04Å; L41-W45 HydrophobicContact CD1-CE3 4.32Å; L41-W45 HydrophobicContact CD1-CG 4.25Å; G42-W45 WeakPolarHBondContact O-CB 3.32Å; G42-W45 PolarHBondContact O-N 3.3Å; D43-W45 PolarHBondContact O-N 3.47Å; W45-G47 PolarHBondContact O-N 3.28Å; W45-Y48 HydrophobicContact CE3-CG 4.38Å; W45-Y48 WeakPolarHBondContact O-CB 3.45Å; W45-Y48 PolarHBondContact O-N 2.87Å; W45-I113 HydrophobicContact CZ3-CD1 4.08Å; W45-I113 HydrophobicContact CZ3-CG1 4.45Å; W45-I121 HydrophobicContact CD2-CD1 3.79Å; W45-I121 HydrophobicContact CE3-CD1 3.6Å; W45-I121 HydrophobicContact CH2-CD1 3.65Å; W45-I121 HydrophobicContact CZ2-CD1 3.86Å; W45-I121 HydrophobicContact CZ2-CG2 4.45Å; W45-I121 HydrophobicContact CZ3-CD1 3.54Å; W45-L124 HydrophobicContact CH2-CD2 3.92Å; W45-L124 HydrophobicContact CZ3-CD2 4.48Å
46K96.4Very high96.3Very high122 Ų12241 Ų4153%0.5323%0.232SC..THydrogen-bonded Turntrans-60.7127178.6-168.4179.1-179.8-173.90112D39 D43 Y48 G117 E118D39-K46 WeakPolarHBondContact OD1-CA 3.42Å; D43-K46 WeakPolarHBondContact O-CB 3.49Å; D43-K46 PolarHBondContact O-N 3.45Å; K46-Y48 VanDerWaalsContact C-N 3.26Å; K46-Y48 PolarHBondContact O-N 2.81Å; K46-G117 WeakPolarHBondContact O-CA 3.37Å; K46-E118 PolarHBondContact O-N 3.33Å
47G95.9Very high96.3Very high30 Ų3040.4 Ų40.431%0.30923%0.229SC..THydrogen-bonded Turntrans79.9-2-177.400000114.5D39 W45D39-G47 PolarHBondContact OD1-N 3.21Å; W45-G47 PolarHBondContact O-N 3.28Å
48Y97.5Very high96.3Very high0 Ų043.9 Ų43.90%024%0.235CC..  trans-80.5136.3177.3-76.6-94.3000111.2A38 E44 W45 K46 I113 K116 G117 K119 I121 T125A38-Y48 WeakPolarHBondContact CB-O 3.45Å; A38-Y48 PolarHBondContact N-O 3.48Å; E44-Y48 WeakPolarHBondContact O-CE2 3.05Å; W45-Y48 HydrophobicContact CE3-CG 4.38Å; W45-Y48 WeakPolarHBondContact O-CB 3.45Å; W45-Y48 PolarHBondContact O-N 2.87Å; K46-Y48 VanDerWaalsContact C-N 3.26Å; K46-Y48 PolarHBondContact O-N 2.81Å; Y48-I113 HydrophobicContact CD1-CD1 4.06Å; Y48-I113 HydrophobicContact CD1-CG1 4.43Å; Y48-I113 HydrophobicContact CD1-CG2 3.92Å; Y48-I113 HydrophobicContact CE1-CD1 4.17Å; Y48-I113 HydrophobicContact CE1-CG2 4.34Å; Y48-K116 HydrophobicContact CE1-CB 4.32Å; Y48-K116 HydrophobicContact CE1-CG 3.84Å; Y48-G117 VanDerWaalsContact CD1-N 3.34Å; Y48-G117 VanDerWaalsContact CD2-CA 3.47Å; Y48-G117 VanDerWaalsContact CE1-N 3.3Å; Y48-G117 VanDerWaalsContact CE2-CA 3.48Å; Y48-G117 VanDerWaalsContact CZ-N 3.33Å; Y48-K119 WeakPolarHBondContact CE2-O 3.25Å; Y48-K119 VanDerWaalsContact CZ-O 3.29Å; Y48-K119 PolarHBondContact OH-O 3.26Å; Y48-I121 HydrophobicContact CD1-CD1 4.38Å; Y48-I121 HydrophobicContact CD2-CD1 4.27Å; Y48-I121 HydrophobicContact CE1-CD1 4.03Å; Y48-I121 HydrophobicContact CE2-CD1 3.9Å; Y48-I121 HydrophobicContact CE2-CG1 4.23Å; Y48-I121 HydrophobicContact CG-CD1 4.49Å; Y48-T125 HydrophobicContact CE1-CG2 3.98Å
49V97.7Very high96.3Very high36 Ų3650 Ų5022%0.21826%0.263CS..EExtended strand (participates in β ladder)trans-115.5124.9170.5-177.70000108.6E35 V114 K115E35-V49 HydrophobicContact CB-CG1 3.97Å; V49-V114 PolarHBondContact O-N 3.3Å; V49-K115 HydrophobicContact CB-CB 3.91Å; V49-K115 HydrophobicContact CG2-CB 4.12Å; V49-K115 HydrophobicContact CG2-CD 4.34Å; V49-K115 PolarHBondContact N-O 3.05Å; V49-K115 PolarHBondContact O-N 2.88Å
50V98Very high96.3Very high0 Ų048.7 Ų48.70%027%0.267CS..EExtended strand (participates in β ladder)trans-113.3143.5179.7-640000110.5F27 E35 V36 A38 L111 V112 I113F27-V50 HydrophobicContact CE1-CG2 3.83Å; F27-V50 HydrophobicContact CZ-CG2 4.29Å; E35-V50 CarbonylContact C-O 3.52Å; E35-V50 WeakPolarHBondContact CA-O 3.38Å; V36-V50 PolarHBondContact N-O 3.49Å; V36-V50 WeakPolarHBondContact O-CG2 3.46Å; V36-V50 PolarHBondContact O-N 2.91Å; A38-V50 HydrophobicContact CB-CG1 4.01Å; A38-V50 HydrophobicContact CB-CG2 4.07Å; V50-L111 HydrophobicContact CB-CB 4.4Å; V50-L111 HydrophobicContact CG2-CD1 4.33Å; V50-L111 HydrophobicContact CG2-CD2 4.5Å; V50-V112 CarbonylContact C-O 3.58Å; V50-V112 WeakPolarHBondContact CA-O 3.45Å; V50-I113 HydrophobicContact CG1-CG1 3.95Å
51R98.4Very high96.5Very high101 Ų10148.8 Ų48.838%0.38126%0.26SS..EExtended strand (participates in β ladder)trans-103.6130.5171.2-173.4-179.165.8-170.4-3.5110.1T34 E35 S53 V112 V114T34-R51 WeakPolarHBondContact O-CA 3.4Å; E35-R51 HydrophobicContact CG-CB 4.21Å; E35-R51 HydrophobicContact CG-CG 4.33Å; R51-S53 PolarHBondContact O-N 2.98Å; R51-V112 PolarHBondContact N-O 3.18Å; R51-V112 PolarHBondContact O-N 3.45Å; R51-V114 HydrophobicContact CB-CG2 3.64Å
52I98.4Very high96.7Very high0 Ų050.5 Ų50.50%027%0.272CS..EExtended strand (participates in β ladder)trans-68.8115.8173.9-59167.9000108.5F27 K30 A33 T34 V36 V102 L109 L111F27-I52 HydrophobicContact CB-CD1 4.5Å; F27-I52 HydrophobicContact CD1-CD1 4.16Å; F27-I52 HydrophobicContact CD1-CG1 4.18Å; K30-I52 HydrophobicContact CB-CD1 3.61Å; K30-I52 HydrophobicContact CG-CD1 4.44Å; A33-I52 WeakPolarHBondContact CA-O 3.43Å; A33-I52 PolarHBondContact N-O 3.2Å; T34-I52 PolarHBondContact O-N 3.4Å; V36-I52 HydrophobicContact CG2-CD1 4.11Å; V36-I52 HydrophobicContact CG2-CG1 4.49Å; I52-V102 HydrophobicContact CD1-CG2 4.2Å; I52-V102 HydrophobicContact CG2-CG2 4.01Å; I52-L109 HydrophobicContact CG2-CD1 3.94Å; I52-L111 HydrophobicContact CB-CD2 4.43Å; I52-L111 HydrophobicContact CG1-CD2 3.95Å
53S98.1Very high97Very high51 Ų5150.3 Ų50.336%0.35727%0.266SS..EExtended strand (participates in β ladder)trans-100-11.7-176.568.30000114M32 R51 N110M32-S53 WeakPolarHBondContact CE-O 3.44Å; R51-S53 PolarHBondContact O-N 2.98Å; S53-N110 PolarHBondContact N-O 3.21Å; S53-N110 VanDerWaalsContact OG-C 3.25Å; S53-N110 WeakPolarHBondContact OG-CB 3.37Å; S53-N110 PolarHBondContact OG-O 2.99Å
54G97.6Very high97.2Very high5 Ų545.3 Ų45.35%0.05224%0.239CC..EExtended strand (participates in β ladder)trans139.7-159.1-179.300000111N110G54-N110 WeakPolarHBondContact O-CB 3.46Å; G54-N110 PolarHBondContact O-N 2.89Å
55G97.9Very high97.4Very high5 Ų545.9 Ų45.95%0.05224%0.241CC..EExtended strand (participates in β ladder)trans171.9-177.3-17700000112.1M63 V108G55-M63 PolarHBondContact N-SD 3.36Å; G55-M63 WeakPolarHBondContact O-CG 3.3Å; G55-M63 PolarHBondContact O-N 3.03Å; G55-V108 CarbonylContact C-O 3.54Å; G55-V108 WeakPolarHBondContact CA-O 3.44Å
56N98.1Very high97.4Very high58 Ų5848.3 Ų48.331%0.3127%0.268SS..EExtended strand (participates in β ladder)trans-126.6135.2174.8-68.190000109.5G60 S107 V108N56-G60 PolarHBondContact ND2-O 3.02Å; N56-G60 VanDerWaalsContact ND2-O 3.15Å; N56-S107 PolarHBondContact O-N 3.4Å; N56-V108 PolarHBondContact N-O 3.01Å; N56-V108 PolarHBondContact O-N 3.33Å
57D96.8Very high97.4Very high4 Ų443.3 Ų43.32%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-66165.6171.4-166.2-33.5000110.6Q59 G60 F61 R72 R98 L106D57-Q59 PolarHBondContact O-N 2.91Å; D57-Q59 VanDerWaalsContact O-N 3.16Å; D57-Q59 PolarHBondContact OD1-OE1 3.31Å; D57-G60 WeakPolarHBondContact O-CA 3.44Å; D57-G60 PolarHBondContact O-N 3.1Å; D57-F61 HydrophobicContact CB-CB 4.47Å; D57-F61 PolarHBondContact N-O 2.9Å; D57-R72 IonicContact OD1-NH2 3.5Å; D57-R72 PolarHBondContact OD1-NH2 3.01Å; D57-R72 IonicContact OD2-CZ 3.52Å; D57-R72 VanDerWaalsContact OD2-CZ 3.26Å; D57-R72 IonicContact OD2-NE 3.89Å; D57-R72 PolarHBondContact OD2-NE 3.49Å; D57-R72 IonicContact OD2-NH2 2.96Å; D57-R72 PolarHBondContact OD2-NH2 2.95Å; D57-R98 HydrophobicContact CB-CB 4.36Å; D57-R98 HydrophobicContact CB-CG 4.2Å; D57-R98 WeakPolarHBondContact OD2-CD 3.5Å; D57-R98 IonicContact OD2-CZ 3.99Å; D57-R98 IonicContact OD2-NE 2.65Å; D57-R98 IonicContact OD2-NH1 3.45Å; D57-R98 PolarHBondContact OD2-NH1 3.17Å; D57-L106 HydrophobicContact CB-CD2 4.36Å
58K96.1Very high97.5Very high124 Ų12446.6 Ų46.654%0.53926%0.257SS..THydrogen-bonded Turntrans-50.9-35.4177.5-74.2173.8178.5172.50113.7G60 N105K58-G60 VanDerWaalsContact C-N 3.33Å; K58-N105 PolarHBondContact N-O 2.91Å; K58-N105 PolarHBondContact NZ-OD1 3.43Å
59Q96.2Very high97.4Very high128 Ų12849 Ų4960%0.59827%0.273SS*.THydrogen-bonded Turntrans-92.714176.9-64.781.2-13.900113.2D57 F61 R72D57-Q59 PolarHBondContact O-N 2.91Å; D57-Q59 VanDerWaalsContact O-N 3.16Å; D57-Q59 PolarHBondContact OD1-OE1 3.31Å; Q59-F61 HydrophobicContact CB-CD2 4.08Å; Q59-F61 HydrophobicContact CB-CE2 4.13Å; Q59-F61 PolarHBondContact O-N 2.85Å; Q59-R72 VanDerWaalsContact CD-NH2 3.28Å
60G96.6Very high97.4Very high44 Ų4450.4 Ų50.445%0.45428%0.277SS..  trans83.7-0.9172.600000116N56 D57 K58N56-G60 PolarHBondContact ND2-O 3.02Å; N56-G60 VanDerWaalsContact ND2-O 3.15Å; D57-G60 WeakPolarHBondContact O-CA 3.44Å; D57-G60 PolarHBondContact O-N 3.1Å; K58-G60 VanDerWaalsContact C-N 3.33Å
61F97.9Very high97.2Very high69 Ų6952 Ų5230%0.30329%0.292SS..PPolyproline II helixtrans-66.8127.9177-68.5-81.9000111D57 Q59 R72 S96D57-F61 HydrophobicContact CB-CB 4.47Å; D57-F61 PolarHBondContact N-O 2.9Å; Q59-F61 HydrophobicContact CB-CD2 4.08Å; Q59-F61 HydrophobicContact CB-CE2 4.13Å; Q59-F61 PolarHBondContact O-N 2.85Å; F61-R72 VanDerWaalsContact CD2-NE 3.35Å; F61-S96 WeakPolarHBondContact CD1-O 3.33Å
62P98.1Very high97.2Very high43 Ų4351.4 Ų51.428%0.27929%0.29SS..BIsolated β-bridgetrans-76.3146.9-177.430.7-35.7000111.9C83 R98P62-C83 HydrophobicContact CG-CB 3.84Å; P62-R98 PolarHBondContact O-N 3.24Å
63M98.2Very high97.2Very high12 Ų1253.4 Ų53.46%0.05930%0.303CS..BIsolated β-bridgetrans-68.6143170.5-63.6178.677.700111.4M32 G55 R98 G99 C100 V102 L106M32-M63 HydrophobicContact CG-CE 3.88Å; M32-M63 HydrophobicContact SD-CB 3.62Å; M32-M63 HydrophobicContact SD-CE 4.24Å; G55-M63 PolarHBondContact N-SD 3.36Å; G55-M63 WeakPolarHBondContact O-CG 3.3Å; G55-M63 PolarHBondContact O-N 3.03Å; M63-R98 WeakPolarHBondContact CA-O 3.29Å; M63-R98 HydrophobicContact CG-CB 4.2Å; M63-R98 HydrophobicContact CG-CG 3.86Å; M63-G99 WeakPolarHBondContact CE-O 3.37Å; M63-C100 WeakPolarHBondContact CE-O 3.48Å; M63-V102 HydrophobicContact CE-CG2 4Å; M63-L106 HydrophobicContact CE-CD1 4.46Å; M63-L106 HydrophobicContact CG-CD2 4.41Å; M63-L106 HydrophobicContact SD-CD1 3.84Å; M63-L106 HydrophobicContact SD-CD2 4.29Å
64K97.8Very high97.2Very high26 Ų2658.4 Ų58.411%0.11331%0.314CS..  trans-125.2124.2177.4-176.1175.9176.766.50111.4V67 L75 L77 S82 V97 R98 C100K64-V67 HydrophobicContact CB-CG2 4.1Å; K64-V67 HydrophobicContact CD-CG2 4.22Å; K64-V67 HydrophobicContact CG-CG2 4.18Å; K64-V67 PolarHBondContact O-N 3.01Å; K64-L75 HydrophobicContact CD-CD1 3.91Å; K64-L77 HydrophobicContact CD-CD2 4.37Å; K64-S82 PolarHBondContact NZ-O 3Å; K64-S82 PolarHBondContact NZ-OG 2.98Å; K64-V97 HydrophobicContact CB-CB 4.2Å; K64-V97 HydrophobicContact CB-CG2 4.27Å; K64-V97 HydrophobicContact CD-CG1 4.47Å; K64-V97 HydrophobicContact CD-CG2 4.22Å; K64-R98 PolarHBondContact N-O 3.28Å; K64-C100 WeakPolarHBondContact O-CB 3.42Å
65Q97.6Very high97.2Very high99 Ų9961 Ų6146%0.46333%0.326SS..THydrogen-bonded Turntrans-58.8139.2176-176.263.4-35.900112.1M32 V67M32-Q65 HydrophobicContact CE-CB 4.25Å; M32-Q65 PolarHBondContact O-NE2 2.9Å; M32-Q65 VanDerWaalsContact O-NE2 3.15Å; Q65-V67 VanDerWaalsContact C-N 3.34Å
66G96.4Very high97.2Very high57 Ų5764 Ų6459%0.58834%0.341SS*.THydrogen-bonded Turntrans85.8-3.1179.500000115.2L68G66-L68 PolarHBondContact O-N 3.42Å
67V97.1Very high97.2Very high17 Ų1761.4 Ų61.410%0.10333%0.326CS..  trans-90.296.9171.1179.90000108.4K64 Q65 T69 V73 L75 V97 G99 C100K64-V67 HydrophobicContact CB-CG2 4.1Å; K64-V67 HydrophobicContact CD-CG2 4.22Å; K64-V67 HydrophobicContact CG-CG2 4.18Å; K64-V67 PolarHBondContact O-N 3.01Å; Q65-V67 VanDerWaalsContact C-N 3.34Å; V67-T69 PolarHBondContact O-N 3.16Å; V67-V73 HydrophobicContact CG1-CG1 4.44Å; V67-V73 HydrophobicContact CG1-CG2 3.44Å; V67-V73 VanDerWaalsContact CG1-CG2 3.44Å; V67-V73 HydrophobicContact CG2-CG2 4.43Å; V67-L75 HydrophobicContact CG2-CD1 3.72Å; V67-V97 HydrophobicContact CG2-CG2 4.48Å; V67-G99 WeakPolarHBondContact O-CA 3.42Å; V67-C100 PolarHBondContact O-N 3.23Å; V67-C100 PolarHBondContact O-SG 3.38Å
68L97Very high97.3Very high99 Ų9962.6 Ų62.652%0.51834%0.335SS..  trans-80.851.7-171-58.2-177.9000113.2G66G66-L68 PolarHBondContact O-N 3.42Å
69T96.6Very high97.3Very high52 Ų5264.4 Ų64.432%0.31934%0.343SS..  trans-132.3159.8175.761.50000109.5V67 G71 V73 G99 I101V67-T69 PolarHBondContact O-N 3.16Å; T69-G71 PolarHBondContact OG1-O 3.28Å; T69-V73 HydrophobicContact CG2-CG1 4.45Å; T69-G99 CarbonylContact O-C 3.55Å; T69-G99 VanDerWaalsContact O-CA 3.23Å; T69-G99 WeakPolarHBondContact O-CA 3.49Å; T69-I101 PolarHBondContact O-N 3.49Å
70H95.7Very high97.4Very high65 Ų6562 Ų6230%0.30135%0.353SS..SBendtrans-75.3-55.9166.1-51.4-85.7000108.7E29 R98 I101 D103E29-H70 IonicContact OE1-CE1 2.87Å; E29-H70 PolarHBondContact OE1-CE1 3.48Å; E29-H70 VanDerWaalsContact OE1-CE1 3.27Å; E29-H70 IonicContact OE1-ND1 3.69Å; E29-H70 IonicContact OE2-CE1 3.63Å; E29-H70 PolarHBondContact OE2-CE1 3.46Å; E29-H70 VanDerWaalsContact OE2-CE1 3.28Å; E29-H70 IonicContact OE2-NE2 2.69Å; H70-R98 VanDerWaalsContact C-NH2 3.29Å; H70-R98 WeakPolarHBondContact O-CD 3.32Å; H70-R98 PolarHBondContact O-NE 3.43Å; H70-R98 PolarHBondContact O-NH2 3.11Å; H70-I101 WeakPolarHBondContact CE1-CG2 3.48Å; H70-I101 VanDerWaalsContact ND1-CG2 3.32Å; H70-I101 WeakPolarHBondContact ND1-CG2 3.39Å; H70-D103 HydrophobicContact CB-CB 4.48Å
71G95.8Very high97.4Very high32 Ų3263.9 Ų63.933%0.3335%0.349SS..SBendtrans-67.3-165.5-174.300000116.8T69 G99T69-G71 PolarHBondContact OG1-O 3.28Å; G71-G99 PolarHBondContact O-N 3.43Å
72R97.5Very high97.3Very high89 Ų8963.6 Ų63.634%0.33636%0.356SS..EExtended strand (participates in β ladder)trans-96145.7-179.9-64.1-179.4-163.3145.813.8112.1D57 Q59 F61 V97D57-R72 IonicContact OD1-NH2 3.5Å; D57-R72 PolarHBondContact OD1-NH2 3.01Å; D57-R72 IonicContact OD2-CZ 3.52Å; D57-R72 VanDerWaalsContact OD2-CZ 3.26Å; D57-R72 IonicContact OD2-NE 3.89Å; D57-R72 PolarHBondContact OD2-NE 3.49Å; D57-R72 IonicContact OD2-NH2 2.96Å; D57-R72 PolarHBondContact OD2-NH2 2.95Å; Q59-R72 VanDerWaalsContact CD-NH2 3.28Å; F61-R72 VanDerWaalsContact CD2-NE 3.35Å; R72-V97 VanDerWaalsContact CA-O 3.27Å; R72-V97 WeakPolarHBondContact CA-O 2.73Å
73V97.9Very high97.3Very high43 Ų4363.4 Ų63.426%0.26136%0.355SS..EExtended strand (participates in β ladder)trans-132.7155.1173.3-60.90000110.6V67 T69 L75 S96 V97V67-V73 HydrophobicContact CG1-CG1 4.44Å; V67-V73 HydrophobicContact CG1-CG2 3.44Å; V67-V73 VanDerWaalsContact CG1-CG2 3.44Å; V67-V73 HydrophobicContact CG2-CG2 4.43Å; T69-V73 HydrophobicContact CG2-CG1 4.45Å; V73-L75 HydrophobicContact CG2-CD1 4.39Å; V73-L75 HydrophobicContact CG2-CD2 4.15Å; V73-L75 HydrophobicContact CG2-CG 4.01Å; V73-S96 CarbonylContact O-C 3.58Å; V73-S96 WeakPolarHBondContact O-CA 3.44Å; V73-V97 HydrophobicContact CG2-CG2 3.98Å; V73-V97 PolarHBondContact N-O 3Å; V73-V97 PolarHBondContact O-N 2.84Å
74R98.1Very high97.3Very high156 Ų15664 Ų6459%0.58936%0.357SS*.EExtended strand (participates in β ladder)trans-101.8107.3177.1-68.6-171.972.9-173.82.2111.1R94 K95 S96R74-R94 HydrophobicContact CB-CG 4.1Å; R74-R94 PolarHBondContact O-NH1 3.48Å; R74-K95 WeakPolarHBondContact CA-O 3.42Å; R74-S96 WeakPolarHBondContact CG-OG 3.26Å
75L97.8Very high97.2Very high58 Ų5870.3 Ų70.330%0.30438%0.38SS..EExtended strand (participates in β ladder)trans-105.8145.7179.8-58.9179.4000111.7K64 V67 V73 L77 R94 K95 V97K64-L75 HydrophobicContact CD-CD1 3.91Å; V67-L75 HydrophobicContact CG2-CD1 3.72Å; V73-L75 HydrophobicContact CG2-CD1 4.39Å; V73-L75 HydrophobicContact CG2-CD2 4.15Å; V73-L75 HydrophobicContact CG2-CG 4.01Å; L75-L77 HydrophobicContact CB-CD2 3.99Å; L75-L77 HydrophobicContact CB-CG 4.42Å; L75-L77 PolarHBondContact O-N 3.39Å; L75-R94 CarbonylContact O-C 3.51Å; L75-R94 VanDerWaalsContact O-CA 3.25Å; L75-R94 WeakPolarHBondContact O-CA 3.42Å; L75-K95 PolarHBondContact N-O 3.38Å; L75-K95 PolarHBondContact O-N 2.88Å; L75-V97 HydrophobicContact CD1-CG2 3.78Å; L75-V97 HydrophobicContact CG-CG2 4.04Å
76L98.1Very high97.2Very high70 Ų7066.8 Ų66.837%0.36637%0.366SS..EExtended strand (participates in β ladder)trans-81.5103.2170.1-175.361.8000109.9R92 R94L76-R92 HydrophobicContact CD1-CB 3.85Å; L76-R92 HydrophobicContact CG-CB 4.15Å; L76-R94 HydrophobicContact CD1-CB 4.3Å
77L98.1Very high97.3Very high2 Ų273.2 Ų73.21%0.0137%0.372CS..EExtended strand (participates in β ladder)trans-97.3142.4-175.1-57.8177.8000111.8K64 L75 H81 C83 Y84 R92 K93 K95 V97K64-L77 HydrophobicContact CD-CD2 4.37Å; L75-L77 HydrophobicContact CB-CD2 3.99Å; L75-L77 HydrophobicContact CB-CG 4.42Å; L75-L77 PolarHBondContact O-N 3.39Å; L77-H81 HydrophobicContact CB-CB 4.43Å; L77-H81 HydrophobicContact CD2-CB 4.09Å; L77-C83 HydrophobicContact CD1-CB 4.37Å; L77-Y84 HydrophobicContact CB-CD1 3.82Å; L77-Y84 HydrophobicContact CB-CG 3.98Å; L77-Y84 WeakPolarHBondContact O-CE1 3.5Å; L77-R92 CarbonylContact O-C 3.57Å; L77-R92 VanDerWaalsContact O-CA 3.23Å; L77-R92 WeakPolarHBondContact O-CA 3.26Å; L77-K93 PolarHBondContact N-O 2.99Å; L77-K93 PolarHBondContact O-N 3.44Å; L77-K95 HydrophobicContact CD1-CB 4.21Å; L77-V97 HydrophobicContact CD1-CG1 4.17Å
78S97.9Very high97.3Very high30 Ų3082.1 Ų82.121%0.2140%0.404CS..  trans-121.1-179.2177.760.80000110.9G80 H81S78-G80 PolarHBondContact O-N 3.47Å; S78-H81 PolarHBondContact N-ND1 3.43Å; S78-H81 PolarHBondContact O-N 2.89Å; S78-H81 PolarHBondContact OG-CE1 3.3Å
79K98.1Very high97.3Very high162 Ų16284.1 Ų84.170%0.70442%0.421SS*.THydrogen-bonded Turntrans-57130.8173.6-169.5177.3175.6-178.80110.9P86K79-P86 HydrophobicContact CB-CG 3.85Å; K79-P86 HydrophobicContact CG-CG 4.01Å
80G96.8Very high97.3Very high77 Ų7785.1 Ų85.179%0.79444%0.441SS*.THydrogen-bonded Turntrans96.1-17.9178.200000114.1S78S78-G80 PolarHBondContact O-N 3.47Å
81H97.6Very high97.4Very high83 Ų8384.6 Ų84.638%0.38444%0.439SS..  trans-72.1143.2170.5-67.5177.6000111.3L77 S78L77-H81 HydrophobicContact CB-CB 4.43Å; L77-H81 HydrophobicContact CD2-CB 4.09Å; S78-H81 PolarHBondContact N-ND1 3.43Å; S78-H81 PolarHBondContact O-N 2.89Å; S78-H81 PolarHBondContact OG-CE1 3.3Å
82S96.3Very high97.5Very high63 Ų6390.3 Ų90.344%0.44145%0.45SS..THydrogen-bonded Turntrans-61.6157.9167.358.30000111.9K64 Y84K64-S82 PolarHBondContact NZ-O 3Å; K64-S82 PolarHBondContact NZ-OG 2.98Å; S82-Y84 PolarHBondContact O-N 2.98Å
83C96.9Very high97.6Very high39 Ų3991.5 Ų91.526%0.26446%0.458SS..THydrogen-bonded Turntrans70.25179.1-47.90000116P62 L77 V97P62-C83 HydrophobicContact CG-CB 3.84Å; L77-C83 HydrophobicContact CD1-CB 4.37Å; C83-V97 HydrophobicContact CB-CG1 3.87Å
84Y97.6Very high97.6Very high26 Ų2696.5 Ų96.510%0.10247%0.472CS..  trans-146.7141.6177177.1-120000112.6L77 S82 P86 E91 K93 K95L77-Y84 HydrophobicContact CB-CD1 3.82Å; L77-Y84 HydrophobicContact CB-CG 3.98Å; L77-Y84 WeakPolarHBondContact O-CE1 3.5Å; S82-Y84 PolarHBondContact O-N 2.98Å; Y84-P86 HydrophobicContact CE1-CB 3.9Å; Y84-E91 VanDerWaalsContact OH-CG 3.28Å; Y84-E91 WeakPolarHBondContact OH-CG 3.4Å; Y84-E91 PolarHBondContact OH-OE1 2.77Å; Y84-K93 HydrophobicContact CD2-CB 4.41Å; Y84-K93 HydrophobicContact CE1-CB 4.37Å; Y84-K93 HydrophobicContact CE2-CB 3.67Å; Y84-K93 HydrophobicContact CE2-CD 4.22Å; Y84-K93 HydrophobicContact CE2-CG 4.48Å; Y84-K95 HydrophobicContact CD2-CD 3.72Å; Y84-K95 HydrophobicContact CE2-CD 4.47Å; Y84-K95 HydrophobicContact CG-CD 4.37Å
85R97.1Very high97.6Very high157 Ų15793 Ų9359%0.59246%0.461SS*.  trans-126.9115.9169.2-175.7178.763.677.5-10108.2
86P97.9Very high97.6Very high26 Ų2692.2 Ų92.217%0.16946%0.46CS..  trans-66.1149.3179.427.9-34.9000111.4K79 Y84 E91K79-P86 HydrophobicContact CB-CG 3.85Å; K79-P86 HydrophobicContact CG-CG 4.01Å; Y84-P86 HydrophobicContact CE1-CB 3.9Å; P86-E91 HydrophobicContact CB-CB 4.15Å
87R97.3Very high97.6Very high191 Ų19188.9 Ų88.972%0.72144%0.443SS*.SBendtrans-95.1-32.7175.9-59.7-60.8-179154.6-1.3111.2E91R87-E91 WeakPolarHBondContact CA-OE2 3.5Å; R87-E91 WeakPolarHBondContact CB-OE2 3.41Å; R87-E91 PolarHBondContact N-OE2 2.7Å
88R97.1Very high97.6Very high204 Ų20489.5 Ų89.577%0.7745%0.445SS*.SBendtrans-116.4153.5172.9-64.1-177.8178.1-179.7-0.6111.5G90 E91R88-G90 PolarHBondContact O-N 2.88Å; R88-E91 HydrophobicContact CB-CB 4.34Å; R88-E91 PolarHBondContact N-OE2 3.36Å; R88-E91 VanDerWaalsContact O-CB 3.29Å; R88-E91 WeakPolarHBondContact O-CB 3.48Å; R88-E91 PolarHBondContact O-N 2.96Å
89T97.3Very high97.6Very high142 Ų14288 Ų8887%0.87144%0.435SS*.THydrogen-bonded Turntrans-63.4133.5173.2-54.60000109.4E91T89-E91 PolarHBondContact O-N 3.07Å
90G96.6Very high97.6Very high72 Ų7280.4 Ų80.474%0.74240%0.402SS*.THydrogen-bonded Turntrans81-7.4-177.500000115.2R88 R92R88-G90 PolarHBondContact O-N 2.88Å; G90-R92 PolarHBondContact O-N 3.03Å
91E97.9Very high97.7Very high55 Ų5577.5 Ų77.526%0.25737%0.368SS..  trans-62.6131.2179.4-167.7-164.4147.800111.4Y84 P86 R87 R88 T89Y84-E91 VanDerWaalsContact OH-CG 3.28Å; Y84-E91 WeakPolarHBondContact OH-CG 3.4Å; Y84-E91 PolarHBondContact OH-OE1 2.77Å; P86-E91 HydrophobicContact CB-CB 4.15Å; R87-E91 WeakPolarHBondContact CA-OE2 3.5Å; R87-E91 WeakPolarHBondContact CB-OE2 3.41Å; R87-E91 PolarHBondContact N-OE2 2.7Å; R88-E91 HydrophobicContact CB-CB 4.34Å; R88-E91 PolarHBondContact N-OE2 3.36Å; R88-E91 VanDerWaalsContact O-CB 3.29Å; R88-E91 WeakPolarHBondContact O-CB 3.48Å; R88-E91 PolarHBondContact O-N 2.96Å; T89-E91 PolarHBondContact O-N 3.07Å
92R98.2Very high97.7Very high152 Ų15273.5 Ų73.557%0.57435%0.35SS*.  trans-119.1137.4168.1-58.617969.3-1792.5108.6L76 L77 G90L76-R92 HydrophobicContact CD1-CB 3.85Å; L76-R92 HydrophobicContact CG-CB 4.15Å; L77-R92 CarbonylContact O-C 3.57Å; L77-R92 VanDerWaalsContact O-CA 3.23Å; L77-R92 WeakPolarHBondContact O-CA 3.26Å; G90-R92 PolarHBondContact O-N 3.03Å
93K98.3Very high97.7Very high113 Ų11371.6 Ų71.649%0.49133%0.334SS..EExtended strand (participates in β ladder)trans-132.8130.5-179.6-168.3164-173.8164.40111.4L77 Y84 K95L77-K93 PolarHBondContact N-O 2.99Å; L77-K93 PolarHBondContact O-N 3.44Å; Y84-K93 HydrophobicContact CD2-CB 4.41Å; Y84-K93 HydrophobicContact CE1-CB 4.37Å; Y84-K93 HydrophobicContact CE2-CB 3.67Å; Y84-K93 HydrophobicContact CE2-CD 4.22Å; Y84-K93 HydrophobicContact CE2-CG 4.48Å; K93-K95 HydrophobicContact CB-CG 4.48Å; K93-K95 HydrophobicContact CG-CG 4.12Å; K93-K95 PolarHBondContact O-N 2.97Å
94R98.3Very high97.6Very high148 Ų14871.9 Ų71.956%0.55834%0.34SS*.EExtended strand (participates in β ladder)trans-76.9114.2173.3-167.1-179.6-75.8-108.110.5109.4R74 L75 L76R74-R94 HydrophobicContact CB-CG 4.1Å; R74-R94 PolarHBondContact O-NH1 3.48Å; L75-R94 CarbonylContact O-C 3.51Å; L75-R94 VanDerWaalsContact O-CA 3.25Å; L75-R94 WeakPolarHBondContact O-CA 3.42Å; L76-R94 HydrophobicContact CD1-CB 4.3Å
95K98.1Very high97.5Very high84 Ų8474.2 Ų74.237%0.36535%0.354SS..EExtended strand (participates in β ladder)trans-126.7146.5-178.6-63.5-166.573.6-175.10111.2R74 L75 L77 Y84 K93R74-K95 WeakPolarHBondContact CA-O 3.42Å; L75-K95 PolarHBondContact N-O 3.38Å; L75-K95 PolarHBondContact O-N 2.88Å; L77-K95 HydrophobicContact CD1-CB 4.21Å; Y84-K95 HydrophobicContact CD2-CD 3.72Å; Y84-K95 HydrophobicContact CE2-CD 4.47Å; Y84-K95 HydrophobicContact CG-CD 4.37Å; K93-K95 HydrophobicContact CB-CG 4.48Å; K93-K95 HydrophobicContact CG-CG 4.12Å; K93-K95 PolarHBondContact O-N 2.97Å
96S98.3Very high97.4Very high40 Ų4066.9 Ų66.928%0.2833%0.327SS..EExtended strand (participates in β ladder)trans-73.2133.6169.1-51.90000109.8F61 V73 R74F61-S96 WeakPolarHBondContact CD1-O 3.33Å; V73-S96 CarbonylContact O-C 3.58Å; V73-S96 WeakPolarHBondContact O-CA 3.44Å; R74-S96 WeakPolarHBondContact CG-OG 3.26Å
97V98.1Very high97.4Very high1 Ų168.1 Ų68.11%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-134.8148.6175.8-66.40000109K64 V67 R72 V73 L75 L77 C83K64-V97 HydrophobicContact CB-CB 4.2Å; K64-V97 HydrophobicContact CB-CG2 4.27Å; K64-V97 HydrophobicContact CD-CG1 4.47Å; K64-V97 HydrophobicContact CD-CG2 4.22Å; V67-V97 HydrophobicContact CG2-CG2 4.48Å; R72-V97 VanDerWaalsContact CA-O 3.27Å; R72-V97 WeakPolarHBondContact CA-O 2.73Å; V73-V97 HydrophobicContact CG2-CG2 3.98Å; V73-V97 PolarHBondContact N-O 3Å; V73-V97 PolarHBondContact O-N 2.84Å; L75-V97 HydrophobicContact CD1-CG2 3.78Å; L75-V97 HydrophobicContact CG-CG2 4.04Å; L77-V97 HydrophobicContact CD1-CG1 4.17Å; C83-V97 HydrophobicContact CB-CG1 3.87Å
98R98.3Very high97.4Very high14 Ų1460.4 Ų60.45%0.05331%0.31CS..EExtended strand (participates in β ladder)trans-79.2144.5173.1-17963.1174.3-16825.2109.3D57 P62 M63 K64 H70 D103 L106D57-R98 HydrophobicContact CB-CB 4.36Å; D57-R98 HydrophobicContact CB-CG 4.2Å; D57-R98 WeakPolarHBondContact OD2-CD 3.5Å; D57-R98 IonicContact OD2-CZ 3.99Å; D57-R98 IonicContact OD2-NE 2.65Å; D57-R98 IonicContact OD2-NH1 3.45Å; D57-R98 PolarHBondContact OD2-NH1 3.17Å; P62-R98 PolarHBondContact O-N 3.24Å; M63-R98 WeakPolarHBondContact CA-O 3.29Å; M63-R98 HydrophobicContact CG-CB 4.2Å; M63-R98 HydrophobicContact CG-CG 3.86Å; K64-R98 PolarHBondContact N-O 3.28Å; H70-R98 VanDerWaalsContact C-NH2 3.29Å; H70-R98 WeakPolarHBondContact O-CD 3.32Å; H70-R98 PolarHBondContact O-NE 3.43Å; H70-R98 PolarHBondContact O-NH2 3.11Å; R98-D103 IonicContact CZ-OD1 2.84Å; R98-D103 IonicContact CZ-OD2 3.62Å; R98-D103 IonicContact NE-OD1 2.77Å; R98-D103 IonicContact NH2-OD1 3.26Å; R98-D103 PolarHBondContact NH2-OD1 3.26Å; R98-D103 IonicContact NH2-OD2 2.84Å; R98-D103 PolarHBondContact NH2-OD2 3.44Å; R98-L106 HydrophobicContact CG-CD2 4.16Å
99G98Very high97.5Very high0 Ų050.7 Ų50.70%027%0.273CS..  trans-64.6173.4174.800000113.6M63 V67 T69 G71M63-G99 WeakPolarHBondContact CE-O 3.37Å; V67-G99 WeakPolarHBondContact O-CA 3.42Å; T69-G99 CarbonylContact O-C 3.55Å; T69-G99 VanDerWaalsContact O-CA 3.23Å; T69-G99 WeakPolarHBondContact O-CA 3.49Å; G71-G99 PolarHBondContact O-N 3.43Å
100C97.9Very high97.5Very high1 Ų145.8 Ų45.81%0.00724%0.241CC..SBendtrans-91.3-10-176.273.70000114R31 M32 M63 K64 V67R31-C100 WeakPolarHBondContact CA-O 3.46Å; M32-C100 HydrophobicContact CB-CB 4.29Å; M32-C100 HydrophobicContact CG-CB 4.08Å; M32-C100 PolarHBondContact N-O 2.89Å; M32-C100 HydrophobicContact SD-CB 3.95Å; M63-C100 WeakPolarHBondContact CE-O 3.48Å; K64-C100 WeakPolarHBondContact O-CB 3.42Å; V67-C100 PolarHBondContact O-N 3.23Å; V67-C100 PolarHBondContact O-SG 3.38Å
101I97.9Very high97.6Very high16 Ų1642.3 Ų42.38%0.08221%0.206CC..BIsolated β-bridgetrans-85.3129.6177.6-46.9173.3000108.5R31 T69 H70R31-I101 HydrophobicContact CG-CG1 4.22Å; T69-I101 PolarHBondContact O-N 3.49Å; H70-I101 WeakPolarHBondContact CE1-CG2 3.48Å; H70-I101 VanDerWaalsContact ND1-CG2 3.32Å; H70-I101 WeakPolarHBondContact ND1-CG2 3.39Å
102V97.8Very high97.6Very high0 Ų040.6 Ų40.60%020%0.199CC..  trans-79.7135.8-178178.40000110F27 Y28 E29 K30 I52 M63 L106 L109F27-V102 HydrophobicContact CB-CG1 4.22Å; F27-V102 VanDerWaalsContact O-CB 3.32Å; F27-V102 WeakPolarHBondContact O-CB 3.39Å; F27-V102 WeakPolarHBondContact O-CG1 3.34Å; Y28-V102 HydrophobicContact CD1-CG1 4.17Å; E29-V102 PolarHBondContact N-O 3.05Å; E29-V102 VanDerWaalsContact N-O 3.08Å; K30-V102 PolarHBondContact O-N 3.12Å; I52-V102 HydrophobicContact CD1-CG2 4.2Å; I52-V102 HydrophobicContact CG2-CG2 4.01Å; M63-V102 HydrophobicContact CE-CG2 4Å; V102-L106 HydrophobicContact CG1-CD1 3.96Å; V102-L109 HydrophobicContact CG1-CD1 4.09Å; V102-L109 HydrophobicContact CG1-CD2 4.28Å; V102-L109 HydrophobicContact CG2-CD1 3.82Å
103D96.1Very high97.6Very high22 Ų2233.6 Ų33.612%0.11817%0.173CC..  trans-140.5177.6173.974.9-36.3000110.6H70 R98 N105H70-D103 HydrophobicContact CB-CB 4.48Å; R98-D103 IonicContact CZ-OD1 2.84Å; R98-D103 IonicContact CZ-OD2 3.62Å; R98-D103 IonicContact NE-OD1 2.77Å; R98-D103 IonicContact NH2-OD1 3.26Å; R98-D103 PolarHBondContact NH2-OD1 3.26Å; R98-D103 IonicContact NH2-OD2 2.84Å; R98-D103 PolarHBondContact NH2-OD2 3.44Å; D103-N105 PolarHBondContact O-N 3.47Å; D103-N105 VanDerWaalsContact OD2-CB 3.31Å; D103-N105 WeakPolarHBondContact OD2-CB 3.49Å; D103-N105 PolarHBondContact OD2-N 3.46Å; D103-N105 PolarHBondContact OD2-ND2 2.89Å
104A95.7Very high97.6Very high45 Ų4531.5 Ų31.537%0.37217%0.17SC..THydrogen-bonded Turntrans-68.1-11.1179.800000114.3Y28 L106Y28-A104 HydrophobicContact CE1-CB 4.34Å; Y28-A104 HydrophobicContact CE2-CB 4.2Å; A104-L106 PolarHBondContact O-N 3.09Å
105N95Very high97.5Very high75 Ų7530.9 Ų30.940%0.40117%0.171SC..THydrogen-bonded Turntrans-89.222.9-177-61.5-58000114K58 D103K58-N105 PolarHBondContact N-O 2.91Å; K58-N105 PolarHBondContact NZ-OD1 3.43Å; D103-N105 PolarHBondContact O-N 3.47Å; D103-N105 VanDerWaalsContact OD2-CB 3.31Å; D103-N105 WeakPolarHBondContact OD2-CB 3.49Å; D103-N105 PolarHBondContact OD2-N 3.46Å; D103-N105 PolarHBondContact OD2-ND2 2.89Å
106L96.6Very high97.4Very high4 Ų431.3 Ų31.32%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-93.4147.4172.1-60.5179.6000111.2M1 D57 M63 R98 V102 A104 L109M1-L106 HydrophobicContact SD-CB 3.91Å; D57-L106 HydrophobicContact CB-CD2 4.36Å; M63-L106 HydrophobicContact CE-CD1 4.46Å; M63-L106 HydrophobicContact CG-CD2 4.41Å; M63-L106 HydrophobicContact SD-CD1 3.84Å; M63-L106 HydrophobicContact SD-CD2 4.29Å; R98-L106 HydrophobicContact CG-CD2 4.16Å; V102-L106 HydrophobicContact CG1-CD1 3.96Å; A104-L106 PolarHBondContact O-N 3.09Å; L106-L109 HydrophobicContact CD1-CD1 3.87Å
107S96.9Very high97.2Very high51 Ų5130 Ų3036%0.35717%0.166SC..EExtended strand (participates in β ladder)trans-87.2-47169.4176.10000110.4K2 N56K2-S107 PolarHBondContact N-O 3.44Å; N56-S107 PolarHBondContact O-N 3.4Å
108V98Very high97Very high29 Ų2937.2 Ų37.218%0.17620%0.199CC..EExtended strand (participates in β ladder)trans-130.1130.8-178.9-173.70000110.1K2 N4 G55 N56K2-V108 HydrophobicContact CB-CG2 4.21Å; K2-V108 CarbonylContact O-C 3.54Å; K2-V108 VanDerWaalsContact O-CA 3.26Å; K2-V108 WeakPolarHBondContact O-CA 3.48Å; N4-V108 HydrophobicContact CB-CG1 3.82Å; G55-V108 CarbonylContact C-O 3.54Å; G55-V108 WeakPolarHBondContact CA-O 3.44Å; N56-V108 PolarHBondContact N-O 3.01Å; N56-V108 PolarHBondContact O-N 3.33Å
109L98.2Very high96.9Very high0 Ų042.5 Ų42.50%022%0.223CC..EExtended strand (participates in β ladder)trans-108.3124.1167.8-17068.9000109.5M1 K2 L3 N4 F27 I52 V102 L106 L111M1-L109 HydrophobicContact CE-CB 4.21Å; M1-L109 HydrophobicContact CE-CD2 4.23Å; M1-L109 HydrophobicContact SD-CB 4.39Å; K2-L109 PolarHBondContact O-N 2.74Å; L3-L109 WeakPolarHBondContact CA-O 3.46Å; L3-L109 HydrophobicContact CD2-CB 3.77Å; L3-L109 HydrophobicContact CD2-CD2 4.13Å; L3-L109 HydrophobicContact CD2-CG 4.48Å; N4-L109 PolarHBondContact N-O 2.99Å; F27-L109 HydrophobicContact CB-CD2 3.91Å; F27-L109 HydrophobicContact CD1-CD2 4.25Å; F27-L109 HydrophobicContact CD2-CD2 4.26Å; F27-L109 HydrophobicContact CG-CD2 3.88Å; I52-L109 HydrophobicContact CG2-CD1 3.94Å; V102-L109 HydrophobicContact CG1-CD1 4.09Å; V102-L109 HydrophobicContact CG1-CD2 4.28Å; V102-L109 HydrophobicContact CG2-CD1 3.82Å; L106-L109 HydrophobicContact CD1-CD1 3.87Å; L109-L111 HydrophobicContact CD2-CD2 3.93Å; L109-L111 HydrophobicContact CG-CD2 4.06Å
110N98.4Very high96.7Very high39 Ų3946.6 Ų46.621%0.20925%0.245CC..EExtended strand (participates in β ladder)trans-91.2122.2178.7-61.7-53.1000110.1N4 S53 G54N4-N110 WeakPolarHBondContact CB-OD1 3.47Å; N4-N110 PolarHBondContact ND2-OD1 3.04Å; N4-N110 CarbonylContact O-C 3.55Å; N4-N110 WeakPolarHBondContact O-CA 3.47Å; S53-N110 PolarHBondContact N-O 3.21Å; S53-N110 VanDerWaalsContact OG-C 3.25Å; S53-N110 WeakPolarHBondContact OG-CB 3.37Å; S53-N110 PolarHBondContact OG-O 2.99Å; G54-N110 WeakPolarHBondContact O-CB 3.46Å; G54-N110 PolarHBondContact O-N 2.89Å
111L98.2Very high96.5Very high0 Ų046.7 Ų46.70%025%0.245CC..EExtended strand (participates in β ladder)trans-117.9147.7-178.7-57.9177.2000111L3 N4 I5 S6 F27 V50 I52 L109L3-L111 HydrophobicContact CB-CD1 4.35Å; L3-L111 HydrophobicContact CD1-CD1 4.17Å; L3-L111 HydrophobicContact CD2-CD1 4.33Å; N4-L111 PolarHBondContact O-N 3.15Å; I5-L111 WeakPolarHBondContact CA-O 3.43Å; I5-L111 HydrophobicContact CD1-CD1 4.28Å; I5-L111 HydrophobicContact CG1-CB 4.18Å; I5-L111 HydrophobicContact CG1-CD1 4.22Å; I5-L111 HydrophobicContact CG2-CB 4.27Å; S6-L111 PolarHBondContact N-O 3.2Å; S6-L111 PolarHBondContact OG-O 3.1Å; F27-L111 HydrophobicContact CD1-CD2 4.36Å; F27-L111 HydrophobicContact CE1-CD1 4.08Å; F27-L111 HydrophobicContact CE1-CD2 4.08Å; F27-L111 HydrophobicContact CE2-CD1 4.5Å; F27-L111 HydrophobicContact CZ-CD1 3.85Å; V50-L111 HydrophobicContact CB-CB 4.4Å; V50-L111 HydrophobicContact CG2-CD1 4.33Å; V50-L111 HydrophobicContact CG2-CD2 4.5Å; I52-L111 HydrophobicContact CB-CD2 4.43Å; I52-L111 HydrophobicContact CG1-CD2 3.95Å; L109-L111 HydrophobicContact CD2-CD2 3.93Å; L109-L111 HydrophobicContact CG-CD2 4.06Å
112V98.4Very high96.3Very high18 Ų1849.8 Ų49.811%0.10927%0.266CS..EExtended strand (participates in β ladder)trans-125.1120.7176.9176.80000108.3P8 V50 R51 V114P8-V112 HydrophobicContact CG-CG1 3.53Å; V50-V112 CarbonylContact C-O 3.58Å; V50-V112 WeakPolarHBondContact CA-O 3.45Å; R51-V112 PolarHBondContact N-O 3.18Å; R51-V112 PolarHBondContact O-N 3.45Å; V112-V114 PolarHBondContact O-N 3.47Å
113I97.8Very high96Very high5 Ų551.5 Ų51.53%0.02628%0.284CS..EExtended strand (participates in β ladder)trans-68.3124.8173.7-65.9170.9000108.9I5 S6 F7 W45 Y48 V50 K115 L124I5-I113 HydrophobicContact CG2-CD1 4.17Å; I5-I113 HydrophobicContact CG2-CG1 4.02Å; S6-I113 PolarHBondContact O-N 3.36Å; F7-I113 HydrophobicContact CB-CD1 4.28Å; F7-I113 HydrophobicContact CD2-CB 3.75Å; F7-I113 HydrophobicContact CD2-CG2 3.71Å; F7-I113 HydrophobicContact CE2-CB 4.41Å; F7-I113 HydrophobicContact CE2-CG2 3.87Å; F7-I113 HydrophobicContact CG-CB 4.45Å; W45-I113 HydrophobicContact CZ3-CD1 4.08Å; W45-I113 HydrophobicContact CZ3-CG1 4.45Å; Y48-I113 HydrophobicContact CD1-CD1 4.06Å; Y48-I113 HydrophobicContact CD1-CG1 4.43Å; Y48-I113 HydrophobicContact CD1-CG2 3.92Å; Y48-I113 HydrophobicContact CE1-CD1 4.17Å; Y48-I113 HydrophobicContact CE1-CG2 4.34Å; V50-I113 HydrophobicContact CG1-CG1 3.95Å; I113-K115 WeakPolarHBondContact CG2-O 3.37Å; I113-L124 HydrophobicContact CD1-CD2 3.41Å; I113-L124 VanDerWaalsContact CD1-CD2 3.41Å; I113-L124 HydrophobicContact CD1-CG 4.24Å
114V96.9Very high95.9Very high70 Ų7050.5 Ų50.542%0.42428%0.279SS..EExtended strand (participates in β ladder)trans-100.8-43.4176.2-177.30000110.3V49 R51 V112V49-V114 PolarHBondContact O-N 3.3Å; R51-V114 HydrophobicContact CB-CG2 3.64Å; V112-V114 PolarHBondContact O-N 3.47Å
115K96.8Very high95.8Very high135 Ų13548.9 Ų48.959%0.58726%0.264SS*.EExtended strand (participates in β ladder)trans-120.1128.3177-169.1-178.5176.6-175.10109.8V49 I113V49-K115 HydrophobicContact CB-CB 3.91Å; V49-K115 HydrophobicContact CG2-CB 4.12Å; V49-K115 HydrophobicContact CG2-CD 4.34Å; V49-K115 PolarHBondContact N-O 3.05Å; V49-K115 PolarHBondContact O-N 2.88Å; I113-K115 WeakPolarHBondContact CG2-O 3.37Å
116K96.2Very high95.7Very high92 Ų9249.6 Ų49.640%0.427%0.268SS..  trans-74.8134.2173.3-170.5-173.8173.2179.80109F7 Y48 D120F7-K116 HydrophobicContact CZ-CB 4.32Å; Y48-K116 HydrophobicContact CE1-CB 4.32Å; Y48-K116 HydrophobicContact CE1-CG 3.84Å; K116-D120 WeakPolarHBondContact CE-OD1 3.21Å; K116-D120 IonicContact NZ-OD1 3.84Å; K116-D120 PolarHBondContact NZ-OD1 3.05Å; K116-D120 IonicContact NZ-OD2 3.87Å; K116-D120 PolarHBondContact NZ-OD2 3.48Å
117G94.8Very high95.5Very high13 Ų1351.8 Ų51.813%0.13428%0.284CS..  trans-82.5-166.5171.800000113K46 Y48K46-G117 WeakPolarHBondContact O-CA 3.37Å; Y48-G117 VanDerWaalsContact CD1-N 3.34Å; Y48-G117 VanDerWaalsContact CD2-CA 3.47Å; Y48-G117 VanDerWaalsContact CE1-N 3.3Å; Y48-G117 VanDerWaalsContact CE2-CA 3.48Å; Y48-G117 VanDerWaalsContact CZ-N 3.33Å
118E93.6Very high95.4Very high152 Ų15254.7 Ų54.771%0.7130%0.299SS*.SBendtrans-76.2-47.1-173.2-66.4171.7-17300112.5K46K46-E118 PolarHBondContact O-N 3.33Å
119K94.9Very high95.2Very high125 Ų12557.6 Ų57.654%0.54332%0.317SS..SBendtrans-89.8146-177.4-67.6-177.3-179.8176.40111.4Y48Y48-K119 WeakPolarHBondContact CE2-O 3.25Å; Y48-K119 VanDerWaalsContact CZ-O 3.29Å; Y48-K119 PolarHBondContact OH-O 3.26Å
120D94.6Very high95Very high86 Ų8663 Ų6346%0.4635%0.352SS..PPolyproline II helixtrans-80.1140.8173-84.3-48.9000112.4K116 T125K116-D120 WeakPolarHBondContact CE-OD1 3.21Å; K116-D120 IonicContact NZ-OD1 3.84Å; K116-D120 PolarHBondContact NZ-OD1 3.05Å; K116-D120 IonicContact NZ-OD2 3.87Å; K116-D120 PolarHBondContact NZ-OD2 3.48Å; D120-T125 VanDerWaalsContact CA-OG1 3.32Å; D120-T125 WeakPolarHBondContact CA-OG1 3.47Å; D120-T125 WeakPolarHBondContact OD1-CB 3.36Å; D120-T125 PolarHBondContact OD1-OG1 3.15Å
121I94.2Very high94.7Very high4 Ų472.3 Ų72.32%0.02138%0.384CS..PPolyproline II helixtrans-100.6118.8178.2-60.7167.9000108.4E44 W45 Y48 G123 L124 T125E44-I121 HydrophobicContact CG-CG1 4.48Å; W45-I121 HydrophobicContact CD2-CD1 3.79Å; W45-I121 HydrophobicContact CE3-CD1 3.6Å; W45-I121 HydrophobicContact CH2-CD1 3.65Å; W45-I121 HydrophobicContact CZ2-CD1 3.86Å; W45-I121 HydrophobicContact CZ2-CG2 4.45Å; W45-I121 HydrophobicContact CZ3-CD1 3.54Å; Y48-I121 HydrophobicContact CD1-CD1 4.38Å; Y48-I121 HydrophobicContact CD2-CD1 4.27Å; Y48-I121 HydrophobicContact CE1-CD1 4.03Å; Y48-I121 HydrophobicContact CE2-CD1 3.9Å; Y48-I121 HydrophobicContact CE2-CG1 4.23Å; Y48-I121 HydrophobicContact CG-CD1 4.49Å; I121-G123 PolarHBondContact O-N 2.91Å; I121-L124 HydrophobicContact CB-CB 4.26Å; I121-L124 HydrophobicContact CG2-CB 4.02Å; I121-L124 HydrophobicContact CG2-CD2 4.37Å; I121-L124 PolarHBondContact O-N 3.38Å; I121-L124 VanDerWaalsContact O-N 3.12Å; I121-T125 PolarHBondContact N-OG1 2.84Å; I121-T125 PolarHBondContact O-N 3.01Å
122P94Very high94.2Very high81 Ų8181.5 Ų81.553%0.52642%0.419SS..THydrogen-bonded Turntrans-58.6133.1179.9-25.433.7000112.9K14 L124 D126K14-P122 WeakPolarHBondContact CD-O 3.38Å; K14-P122 PolarHBondContact NZ-O 3.18Å; P122-L124 VanDerWaalsContact C-N 3.27Å; P122-L124 PolarHBondContact O-N 3.34Å; P122-D126 WeakPolarHBondContact CA-OD2 3.47Å
123G91.5Very high93.9Very high36 Ų3686.9 Ų86.937%0.37145%0.446SS..THydrogen-bonded Turntrans74.86.1-177.200000115.3I121 D126I121-G123 PolarHBondContact O-N 2.91Å; G123-D126 VanDerWaalsContact CA-OD1 3.31Å; G123-D126 WeakPolarHBondContact CA-OD1 3.04Å; G123-D126 PolarHBondContact N-OD1 3.16Å; G123-D126 PolarHBondContact N-OD2 3.23Å
124L93.5Very high93.7Very high1 Ų188.4 Ų88.41%0.00546%0.463CS..THydrogen-bonded Turntrans-131.2-53.2-176.9-162.272.4000112.9I5 F7 T10 C12 K14 W45 I113 I121 P122 D126I5-L124 HydrophobicContact CB-CD2 4.41Å; I5-L124 HydrophobicContact CG2-CD2 3.95Å; I5-L124 WeakPolarHBondContact O-CD1 3.41Å; F7-L124 HydrophobicContact CB-CG 4.24Å; T10-L124 PolarHBondContact OG1-O 3.2Å; C12-L124 WeakPolarHBondContact CB-O 3.44Å; K14-L124 HydrophobicContact CB-CD1 3.87Å; W45-L124 HydrophobicContact CH2-CD2 3.92Å; W45-L124 HydrophobicContact CZ3-CD2 4.48Å; I113-L124 HydrophobicContact CD1-CD2 3.41Å; I113-L124 VanDerWaalsContact CD1-CD2 3.41Å; I113-L124 HydrophobicContact CD1-CG 4.24Å; I121-L124 HydrophobicContact CB-CB 4.26Å; I121-L124 HydrophobicContact CG2-CB 4.02Å; I121-L124 HydrophobicContact CG2-CD2 4.37Å; I121-L124 PolarHBondContact O-N 3.38Å; I121-L124 VanDerWaalsContact O-N 3.12Å; P122-L124 VanDerWaalsContact C-N 3.27Å; P122-L124 PolarHBondContact O-N 3.34Å; L124-D126 PolarHBondContact N-OD1 2.88Å
125T93.7Very high93.7Very high10 Ų1086.3 Ų86.36%0.06145%0.451CS..THydrogen-bonded Turntrans-109.8-15-179.3670000113.8F7 Y48 D120 I121F7-T125 HydrophobicContact CD1-CG2 3.81Å; F7-T125 HydrophobicContact CE1-CG2 4.03Å; F7-T125 HydrophobicContact CG-CG2 4.45Å; Y48-T125 HydrophobicContact CE1-CG2 3.98Å; D120-T125 VanDerWaalsContact CA-OG1 3.32Å; D120-T125 WeakPolarHBondContact CA-OG1 3.47Å; D120-T125 WeakPolarHBondContact OD1-CB 3.36Å; D120-T125 PolarHBondContact OD1-OG1 3.15Å; I121-T125 PolarHBondContact N-OG1 2.84Å; I121-T125 PolarHBondContact O-N 3.01Å
126D92.8Very high93.8Very high90 Ų9084.7 Ų84.748%0.48144%0.444SS..SBendtrans-70.3-38.2179.860.4-14.2000113.6P122 G123 L124P122-D126 WeakPolarHBondContact CA-OD2 3.47Å; G123-D126 VanDerWaalsContact CA-OD1 3.31Å; G123-D126 WeakPolarHBondContact CA-OD1 3.04Å; G123-D126 PolarHBondContact N-OD1 3.16Å; G123-D126 PolarHBondContact N-OD2 3.23Å; L124-D126 PolarHBondContact N-OD1 2.88Å
127S93.1Very high93.9Very high51 Ų5184.8 Ų84.836%0.35744%0.442SS..  trans-115.5148.4-170.552.30000110.3T10 C12T10-S127 VanDerWaalsContact CB-O 3.25Å; T10-S127 WeakPolarHBondContact CB-O 3.42Å; C12-S127 PolarHBondContact SG-O 3.13Å
128T94.4Very high94Very high111 Ų11184.5 Ų84.568%0.68144%0.438SS*.  trans-118.1125.2177.759.40000110.3T10 P130T10-T128 HydrophobicContact CG2-CG2 3.98Å; T128-P130 WeakPolarHBondContact O-CD 3.41Å
129V93.7Very high94.2Very high91 Ų9180 Ų8055%0.55242%0.424SS*.  trans-96.4110.2173.8-179.40000108.9T10T10-V129 PolarHBondContact O-N 3.08Å
130P93.2Very high94.3Very high113 Ų11379.9 Ų79.973%0.73442%0.423SS*.  trans-67.9149-177.827.3-34.3000111.7T128 R132T128-P130 WeakPolarHBondContact O-CD 3.41Å; P130-R132 PolarHBondContact O-N 3.43Å
131R92.1Very high94.4Very high235 Ų23575.8 Ų75.889%0.88740%0.401SS*.  trans-65121.5176-66.9-176.8-179.4-176.71.6110.4L133R131-L133 VanDerWaalsContact C-N 3.32Å; R131-L133 PolarHBondContact O-N 2.93Å
132R88.5Confident94.6Very high193 Ų19379.3 Ų79.373%0.72841%0.414SS*.SBendtrans-61-32.7-176.3-173.4179.5-178.6-161.73.6115P130P130-R132 PolarHBondContact O-N 3.43Å
133L92.1Very high94.8Very high131 Ų13183.5 Ų83.569%0.68642%0.424SS*.  trans-124.5128.7-171.8-64.2177.8000111.3R131R131-L133 VanDerWaalsContact C-N 3.32Å; R131-L133 PolarHBondContact O-N 2.93Å
134G94Very high95Very high37 Ų3786.5 Ų86.538%0.38143%0.431SS..  trans-78.4175.5169.600000113.6
135P97.1Very high95.2Very high26 Ų2690.6 Ų90.617%0.16945%0.449CS..  trans-65.5135.7178.525.7-33.2000112.6K140 I141 L144P135-K140 HydrophobicContact CB-CB 3.62Å; P135-I141 HydrophobicContact CB-CG1 4.09Å; P135-I141 HydrophobicContact CG-CB 4.5Å; P135-I141 HydrophobicContact CG-CG1 3.87Å; P135-I141 WeakPolarHBondContact O-CG1 3.4Å; P135-L144 HydrophobicContact CG-CB 4.3Å; P135-L144 HydrophobicContact CG-CD1 3.94Å
136K97.4Very high95.3Very high101 Ų10197.1 Ų97.144%0.43948%0.484SS..  trans-93.7-27.8177.6-177.9-177176.674.50114.2P174 K175 I176 Q177K136-P174 HydrophobicContact CG-CB 4.3Å; K136-K175 WeakPolarHBondContact CE-O 3.41Å; K136-K175 WeakPolarHBondContact CG-O 3.33Å; K136-K175 PolarHBondContact NZ-O 3.33Å; K136-I176 WeakPolarHBondContact O-CA 3.49Å; K136-Q177 PolarHBondContact O-N 2.76Å
137R97.9Very high95.5Very high94 Ų9494.1 Ų94.136%0.35547%0.468SS..BIsolated β-bridgetrans-88.3135.4-174.4-172.1-177.2-66.91781.9109.4S139 K140 I141 R178R137-S139 VanDerWaalsContact C-N 3.27Å; R137-S139 WeakPolarHBondContact CD-OG 3.33Å; R137-S139 PolarHBondContact O-N 3.11Å; R137-K140 HydrophobicContact CB-CB 4.4Å; R137-K140 HydrophobicContact CB-CG 4.27Å; R137-K140 WeakPolarHBondContact O-CA 3.34Å; R137-K140 PolarHBondContact O-N 2.93Å; R137-I141 PolarHBondContact O-N 3.35Å; R137-I141 VanDerWaalsContact O-N 3.08Å; R137-R178 HydrophobicContact CG-CB 4.35Å; R137-R178 HydrophobicContact CG-CG 4.39Å
138A97.6Very high95.7Very high7 Ų794 Ų946%0.05847%0.469CS..Hα-helixtrans-49.6-46.4-178.600000112.8K140 I141 R142 V153 I176 Q177A138-K140 VanDerWaalsContact C-N 3.3Å; A138-K140 PolarHBondContact O-N 3.14Å; A138-I141 PolarHBondContact O-N 2.74Å; A138-R142 PolarHBondContact O-N 3.03Å; A138-V153 HydrophobicContact CB-CG2 4.24Å; A138-I176 HydrophobicContact CB-CG2 3.88Å; A138-Q177 PolarHBondContact N-O 3.14Å
139S97.4Very high95.7Very high58 Ų5896.2 Ų96.241%0.40647%0.47SS..Hα-helixtrans-64.3-29.6178.467.30000114.2R137 K143R137-S139 VanDerWaalsContact C-N 3.27Å; R137-S139 WeakPolarHBondContact CD-OG 3.33Å; R137-S139 PolarHBondContact O-N 3.11Å; S139-K143 WeakPolarHBondContact O-CG 3.38Å; S139-K143 PolarHBondContact O-N 3.37Å
140K97.7Very high95.8Very high121 Ų12199.1 Ų99.153%0.52648%0.477SS..Hα-helixtrans-79.1-30.6176.8-70-169.1175.3-167.50111.8P135 R137 A138 L144P135-K140 HydrophobicContact CB-CB 3.62Å; R137-K140 HydrophobicContact CB-CB 4.4Å; R137-K140 HydrophobicContact CB-CG 4.27Å; R137-K140 WeakPolarHBondContact O-CA 3.34Å; R137-K140 PolarHBondContact O-N 2.93Å; A138-K140 VanDerWaalsContact C-N 3.3Å; A138-K140 PolarHBondContact O-N 3.14Å; K140-L144 WeakPolarHBondContact O-CB 3.43Å; K140-L144 PolarHBondContact O-N 2.86Å; K140-L144 VanDerWaalsContact O-N 3.15Å
141I97.3Very high95.9Very high1 Ų196.6 Ų96.61%0.00546%0.458CS..Hα-helixtrans-65.6-47.8172.9-63.4160.7000109.1P135 R137 A138 K143 L144 F145 V153 V157 I176P135-I141 HydrophobicContact CB-CG1 4.09Å; P135-I141 HydrophobicContact CG-CB 4.5Å; P135-I141 HydrophobicContact CG-CG1 3.87Å; P135-I141 WeakPolarHBondContact O-CG1 3.4Å; R137-I141 PolarHBondContact O-N 3.35Å; R137-I141 VanDerWaalsContact O-N 3.08Å; A138-I141 PolarHBondContact O-N 2.74Å; I141-K143 PolarHBondContact O-N 3.23Å; I141-L144 PolarHBondContact O-N 3.31Å; I141-F145 HydrophobicContact CG2-CD2 4.16Å; I141-F145 HydrophobicContact CG2-CE2 4.42Å; I141-F145 PolarHBondContact O-N 2.9Å; I141-V153 HydrophobicContact CG2-CB 4.35Å; I141-V157 HydrophobicContact CD1-CG2 4.11Å; I141-I176 HydrophobicContact CD1-CD1 4.36Å; I141-I176 HydrophobicContact CD1-CG1 4.21Å; I141-I176 HydrophobicContact CD1-CG2 4.06Å
142R97.3Very high96.1Very high78 Ų7888.7 Ų88.729%0.29443%0.433SS..Hα-helixtrans-54.8-48.7175.5-67.9-174.5176.3171.5-7.7112.8A138 L144 F145 N146 L147 K149 V153A138-R142 PolarHBondContact O-N 3.03Å; R142-L144 VanDerWaalsContact C-N 3.26Å; R142-L144 PolarHBondContact O-N 3.43Å; R142-F145 PolarHBondContact O-N 3.46Å; R142-N146 WeakPolarHBondContact O-CA 3.37Å; R142-N146 PolarHBondContact O-N 3.2Å; R142-L147 HydrophobicContact CB-CB 4.22Å; R142-L147 HydrophobicContact CG-CB 4.16Å; R142-L147 HydrophobicContact CG-CD1 4.44Å; R142-L147 PolarHBondContact O-N 3Å; R142-K149 VanDerWaalsContact CZ-O 3.27Å; R142-K149 PolarHBondContact NH2-O 3.41Å; R142-V153 HydrophobicContact CG-CG1 3.37Å; R142-V153 VanDerWaalsContact NE-CG1 3.28Å
143K97.7Very high96.5Very high169 Ų16979.5 Ų79.574%0.73540%0.398SS*.Hα-helixtrans-62.6-29.2177.6-74.5-174.8177.9-158.40114.1S139 I141 N146S139-K143 WeakPolarHBondContact O-CG 3.38Å; S139-K143 PolarHBondContact O-N 3.37Å; I141-K143 PolarHBondContact O-N 3.23Å; K143-N146 PolarHBondContact O-OD1 3.3Å
144L96.6Very high96.7Very high98 Ų9879.6 Ų79.651%0.51339%0.389SS..Hα-helixtrans-76.3-36.4-177.9-174.5140.8000111.8P135 K140 I141 R142P135-L144 HydrophobicContact CG-CB 4.3Å; P135-L144 HydrophobicContact CG-CD1 3.94Å; K140-L144 WeakPolarHBondContact O-CB 3.43Å; K140-L144 PolarHBondContact O-N 2.86Å; K140-L144 VanDerWaalsContact O-N 3.15Å; I141-L144 PolarHBondContact O-N 3.31Å; R142-L144 VanDerWaalsContact C-N 3.26Å; R142-L144 PolarHBondContact O-N 3.43Å
145F97.1Very high96.8Very high87 Ų8784.9 Ų84.938%0.38240%0.404SS..THydrogen-bonded Turntrans-104.711-179.2-65.2-74.1000113.2I141 R142 L147 Y156 V158I141-F145 HydrophobicContact CG2-CD2 4.16Å; I141-F145 HydrophobicContact CG2-CE2 4.42Å; I141-F145 PolarHBondContact O-N 2.9Å; R142-F145 PolarHBondContact O-N 3.46Å; F145-L147 HydrophobicContact CB-CD1 4.32Å; F145-L147 HydrophobicContact CB-CD2 3.85Å; F145-L147 HydrophobicContact CB-CG 3.8Å; F145-L147 PolarHBondContact O-N 3.35Å; F145-Y156 WeakPolarHBondContact CE2-O 3.41Å; F145-Y156 HydrophobicContact CG-CD1 4.45Å; F145-V158 HydrophobicContact CE2-CG2 4.33Å; F145-V158 HydrophobicContact CZ-CG2 4Å
146N97.1Very high96.8Very high148 Ų14888.2 Ų88.279%0.79141%0.414SS*.THydrogen-bonded Turntrans49.839.5-175.9-61-27.4000114.2R142 K143R142-N146 WeakPolarHBondContact O-CA 3.37Å; R142-N146 PolarHBondContact O-N 3.2Å; K143-N146 PolarHBondContact O-OD1 3.3Å
147L97.1Very high96.7Very high27 Ų2784.2 Ų84.214%0.14140%0.398CS..  trans-74.1145.8-177.4-55.7177.8000112.2R142 F145 D151 V153 Y156R142-L147 HydrophobicContact CB-CB 4.22Å; R142-L147 HydrophobicContact CG-CB 4.16Å; R142-L147 HydrophobicContact CG-CD1 4.44Å; R142-L147 PolarHBondContact O-N 3Å; F145-L147 HydrophobicContact CB-CD1 4.32Å; F145-L147 HydrophobicContact CB-CD2 3.85Å; F145-L147 HydrophobicContact CB-CG 3.8Å; F145-L147 PolarHBondContact O-N 3.35Å; L147-D151 WeakPolarHBondContact CA-OD2 3.42Å; L147-D151 HydrophobicContact CB-CB 4.07Å; L147-D151 WeakPolarHBondContact CB-OD2 3.38Å; L147-V153 HydrophobicContact CD1-CG1 4.33Å; L147-Y156 HydrophobicContact CD1-CD1 4.47Å; L147-Y156 HydrophobicContact CD1-CD2 3.7Å; L147-Y156 HydrophobicContact CD1-CE2 4.28Å; L147-Y156 HydrophobicContact CD1-CG 3.81Å; L147-Y156 HydrophobicContact CD2-CD1 4.08Å; L147-Y156 HydrophobicContact CD2-CD2 4.2Å; L147-Y156 HydrophobicContact CD2-CE1 3.97Å; L147-Y156 HydrophobicContact CD2-CE2 4.1Å; L147-Y156 HydrophobicContact CD2-CG 4.2Å
148A96.9Very high96.5Very high48 Ų4883.3 Ų83.340%0.39740%0.403SS..  trans-67.4173.1166.200000111.4E150 D151A148-E150 VanDerWaalsContact C-N 3.31Å; A148-D151 WeakPolarHBondContact CB-OD2 2.94Å; A148-D151 PolarHBondContact N-OD2 2.93Å
149K94.9Very high96.4Very high157 Ų15790.5 Ų90.568%0.68343%0.429SS*.SBendtrans-76.8-27-176.2179-174.8173.7-167.30111.6R142R142-K149 VanDerWaalsContact CZ-O 3.27Å; R142-K149 PolarHBondContact NH2-O 3.41Å
150E95Very high96.2Very high153 Ų15391.5 Ų91.572%0.71542%0.424SS*.SBendtrans-76.7-29.5-177.4-65.161-132.800110.6A148A148-E150 VanDerWaalsContact C-N 3.31Å
151D96.4Very high95.9Very high60 Ų6090.4 Ų90.432%0.32143%0.429SS..SBendtrans-62.2137.2-178.9-60.1-27.2000113.3L147 A148 V153L147-D151 WeakPolarHBondContact CA-OD2 3.42Å; L147-D151 HydrophobicContact CB-CB 4.07Å; L147-D151 WeakPolarHBondContact CB-OD2 3.38Å; A148-D151 WeakPolarHBondContact CB-OD2 2.94Å; A148-D151 PolarHBondContact N-OD2 2.93Å; D151-V153 PolarHBondContact O-N 2.95Å; D151-V153 VanDerWaalsContact O-N 3.14Å
152D96.1Very high95.7Very high68 Ų6892.9 Ų92.936%0.36444%0.442SS..  trans-77.8100.2175.1-173.310.2000111.9R154 Q155 Y156D152-R154 PolarHBondContact O-N 3.41Å; D152-R154 WeakPolarHBondContact OD1-CB 3.34Å; D152-R154 WeakPolarHBondContact OD1-CG 3.29Å; D152-R154 PolarHBondContact OD1-N 3.06Å; D152-R154 IonicContact OD1-NE 3.48Å; D152-Q155 PolarHBondContact O-N 3.32Å; D152-Y156 WeakPolarHBondContact O-CD2 3.45Å
153V96.9Very high95.4Very high1 Ų195 Ų951%0.00646%0.463CS..THydrogen-bonded Turntrans-58.4-15.7177-59.50000114.9A138 I141 R142 L147 D151 Q155 V157 I176 L179A138-V153 HydrophobicContact CB-CG2 4.24Å; I141-V153 HydrophobicContact CG2-CB 4.35Å; R142-V153 HydrophobicContact CG-CG1 3.37Å; R142-V153 VanDerWaalsContact NE-CG1 3.28Å; L147-V153 HydrophobicContact CD1-CG1 4.33Å; D151-V153 PolarHBondContact O-N 2.95Å; D151-V153 VanDerWaalsContact O-N 3.14Å; V153-Q155 VanDerWaalsContact C-N 3.29Å; V153-Q155 PolarHBondContact O-N 3Å; V153-V157 WeakPolarHBondContact O-CG2 3.4Å; V153-I176 HydrophobicContact CG2-CD1 4.3Å; V153-L179 HydrophobicContact CG2-CD1 3.5Å; V153-L179 VanDerWaalsContact CG2-CD1 3.5Å
154R95.9Very high95.2Very high132 Ų13293.8 Ų93.850%0.49846%0.458SS..THydrogen-bonded Turntrans-66.9-33-179.2-64.8172.3-168.8-162.62.5112.5D152 I176 L179D152-R154 PolarHBondContact O-N 3.41Å; D152-R154 WeakPolarHBondContact OD1-CB 3.34Å; D152-R154 WeakPolarHBondContact OD1-CG 3.29Å; D152-R154 PolarHBondContact OD1-N 3.06Å; D152-R154 IonicContact OD1-NE 3.48Å; R154-I176 HydrophobicContact CB-CD1 4.44Å; R154-I176 HydrophobicContact CG-CD1 4.08Å; R154-L179 HydrophobicContact CG-CD2 4.01Å
155Q95.7Very high95Very high149 Ų14998.1 Ų98.170%0.69648%0.476SS*.THydrogen-bonded Turntrans-73.6-35-178.2-60.4179.5-2.700111.1D152 V153 V157D152-Q155 PolarHBondContact O-N 3.32Å; V153-Q155 VanDerWaalsContact C-N 3.29Å; V153-Q155 PolarHBondContact O-N 3Å; Q155-V157 VanDerWaalsContact C-N 3.28Å; Q155-V157 PolarHBondContact O-N 3.25Å
156Y96.1Very high94.8Very high95 Ų9598.4 Ų98.437%0.37350%0.503SS..THydrogen-bonded Turntrans-86.415-176.8-60-89.6000114.1F145 L147 D152 V158F145-Y156 WeakPolarHBondContact CE2-O 3.41Å; F145-Y156 HydrophobicContact CG-CD1 4.45Å; L147-Y156 HydrophobicContact CD1-CD1 4.47Å; L147-Y156 HydrophobicContact CD1-CD2 3.7Å; L147-Y156 HydrophobicContact CD1-CE2 4.28Å; L147-Y156 HydrophobicContact CD1-CG 3.81Å; L147-Y156 HydrophobicContact CD2-CD1 4.08Å; L147-Y156 HydrophobicContact CD2-CD2 4.2Å; L147-Y156 HydrophobicContact CD2-CE1 3.97Å; L147-Y156 HydrophobicContact CD2-CE2 4.1Å; L147-Y156 HydrophobicContact CD2-CG 4.2Å; D152-Y156 WeakPolarHBondContact O-CD2 3.45Å; Y156-V158 PolarHBondContact O-N 3.31Å
157V95.9Very high94.7Very high17 Ų1798 Ų9810%0.10349%0.494CS..PPolyproline II helixtrans-76.2119.7178179.80000110I141 V153 Q155 R159 A173 P174 I176I141-V157 HydrophobicContact CD1-CG2 4.11Å; V153-V157 WeakPolarHBondContact O-CG2 3.4Å; Q155-V157 VanDerWaalsContact C-N 3.28Å; Q155-V157 PolarHBondContact O-N 3.25Å; V157-R159 WeakPolarHBondContact O-CG 3.22Å; V157-R159 PolarHBondContact O-N 2.88Å; V157-R159 VanDerWaalsContact O-N 3.12Å; V157-A173 HydrophobicContact CG1-CB 4.13Å; V157-P174 HydrophobicContact CG1-CG 3.7Å; V157-I176 HydrophobicContact CG2-CD1 3.36Å; V157-I176 HydrophobicContact CG2-CG1 3.71Å
158V94.7Very high94.5Very high75 Ų75105.9 Ų105.946%0.45553%0.527SS..PPolyproline II helixtrans-58.8117.8172.3-177.10000110F145 Y156F145-V158 HydrophobicContact CE2-CG2 4.33Å; F145-V158 HydrophobicContact CZ-CG2 4Å; Y156-V158 PolarHBondContact O-N 3.31Å
159R94.3Very high94.4Very high158 Ų158108.9 Ų108.960%0.59654%0.543SS*.PPolyproline II helixtrans-99.3135.5177.7-48.6-175.981.3158.41.1108.9V157 T171 K172 A173V157-R159 WeakPolarHBondContact O-CG 3.22Å; V157-R159 PolarHBondContact O-N 2.88Å; V157-R159 VanDerWaalsContact O-N 3.12Å; R159-T171 PolarHBondContact NE-OG1 3.18Å; R159-K172 CarbonylContact C-O 3.59Å; R159-K172 WeakPolarHBondContact CA-O 3.2Å; R159-A173 HydrophobicContact CG-CB 4.12Å
160R92.8Very high94.4Very high80 Ų80109.2 Ų109.230%0.30254%0.54SS..EExtended strand (participates in β ladder)trans-89.1121.3175.7-172.1177.972.6-165.44.8109.6T171 K172R160-T171 CarbonylContact O-C 3.54Å; R160-T171 WeakPolarHBondContact O-CA 3.35Å; R160-K172 PolarHBondContact N-O 3.07Å; R160-K172 PolarHBondContact O-N 3.2Å
161P92.8Very high94.4Very high97 Ų97105.2 Ų105.263%0.6353%0.526SS*.EExtended strand (participates in β ladder)trans-67.6138.5168.329.1-32.6000109.7
162L91.9Very high94.3Very high54 Ų54107.4 Ų107.428%0.28353%0.532SS..EExtended strand (participates in β ladder)trans-120.9106.5173.4-67.2177.1000107.9R170 K172L162-R170 WeakPolarHBondContact CA-O 3.25Å; L162-R170 VanDerWaalsContact CB-O 3.29Å; L162-R170 WeakPolarHBondContact CB-O 3.42Å; L162-R170 PolarHBondContact N-O 3.49Å; L162-R170 PolarHBondContact O-N 3.24Å; L162-K172 HydrophobicContact CD1-CB 4.28Å; L162-K172 HydrophobicContact CD1-CD 3.55Å; L162-K172 VanDerWaalsContact CD1-CE 3.48Å; L162-K172 HydrophobicContact CD1-CG 3.57Å
163T91.8Very high94.3Very high122 Ų122106.6 Ų106.675%0.74854%0.535SS*.EExtended strand (participates in β ladder)trans-99.7123.4166.1470000107.2
164K93.4Very high94.3Very high144 Ų144108.7 Ų108.763%0.62655%0.549SS*.EExtended strand (participates in β ladder)trans-133.5132.5172.3-174.4177.5-178.3179.40107G166 K167K164-G166 PolarHBondContact O-N 3.4Å; K164-K167 HydrophobicContact CB-CB 4.41Å; K164-K167 HydrophobicContact CD-CD 4.22Å; K164-K167 PolarHBondContact O-N 3.29Å
165E91.8Very high94.3Very high189 Ų189110.9 Ų110.988%0.88356%0.562SS**THydrogen-bonded Turntrans-50.5134.6176.7-68.2170.7-172.300111K167E165-K167 PolarHBondContact O-N 3.49Å
166G92.6Very high94.4Very high92 Ų92105.3 Ų105.395%0.94854%0.536SS*.THydrogen-bonded Turntrans71.34.2-177.400000115.8K164K164-G166 PolarHBondContact O-N 3.4Å
167K94.8Very high94.5Very high139 Ų139105.5 Ų105.560%0.60454%0.541SS*.EExtended strand (participates in β ladder)trans-124142.6176.8-59.3-165-178.4-1650111.6K164 E165K164-K167 HydrophobicContact CB-CB 4.41Å; K164-K167 HydrophobicContact CD-CD 4.22Å; K164-K167 PolarHBondContact O-N 3.29Å; E165-K167 PolarHBondContact O-N 3.49Å
168K94.1Very high94.5Very high194 Ų194113.5 Ų113.584%0.84357%0.569SS**EExtended strand (participates in β ladder)trans-56.2135.9174.6-64.6-172.9-179.5-176.30110.3R170K168-R170 PolarHBondContact O-N 3.15Å
169P95.3Very high94.6Very high111 Ų111111.7 Ų111.772%0.72156%0.557SS**EExtended strand (participates in β ladder)trans-53.7133.5175.4-25.933.9000111.2
170R94.8Very high94.7Very high164 Ų164109.1 Ų109.162%0.61956%0.558SS**EExtended strand (participates in β ladder)trans-137.9150.5179-153.2177.483.21798.9111.2L162 K168L162-R170 WeakPolarHBondContact CA-O 3.25Å; L162-R170 VanDerWaalsContact CB-O 3.29Å; L162-R170 WeakPolarHBondContact CB-O 3.42Å; L162-R170 PolarHBondContact N-O 3.49Å; L162-R170 PolarHBondContact O-N 3.24Å; K168-R170 PolarHBondContact O-N 3.15Å
171T94.8Very high94.9Very high69 Ų69107.3 Ų107.342%0.42356%0.556SS.*EExtended strand (participates in β ladder)trans-100.6148.5173.363.30000111.2R159 R160R159-T171 PolarHBondContact NE-OG1 3.18Å; R160-T171 CarbonylContact O-C 3.54Å; R160-T171 WeakPolarHBondContact O-CA 3.35Å
172K94.5Very high95.2Very high105 Ų105107.5 Ų107.546%0.45756%0.558SS.*EExtended strand (participates in β ladder)trans-122134.3169.1-78.7-165.5-172179.80110.4R159 R160 L162R159-K172 CarbonylContact C-O 3.59Å; R159-K172 WeakPolarHBondContact CA-O 3.2Å; R160-K172 PolarHBondContact N-O 3.07Å; R160-K172 PolarHBondContact O-N 3.2Å; L162-K172 HydrophobicContact CD1-CB 4.28Å; L162-K172 HydrophobicContact CD1-CD 3.55Å; L162-K172 VanDerWaalsContact CD1-CE 3.48Å; L162-K172 HydrophobicContact CD1-CG 3.57Å
173A95.3Very high95.4Very high51 Ų51113.2 Ų113.242%0.42158%0.575SS.*  trans-116.3145.5174.100000110.4V157 R159V157-A173 HydrophobicContact CG1-CB 4.13Å; R159-A173 HydrophobicContact CG-CB 4.12Å
174P96.8Very high95.7Very high45 Ų45111 Ų11129%0.29256%0.561SS.*PPolyproline II helixtrans-69.4139.7171.228.9-35.2000111.3K136 V157 I176K136-P174 HydrophobicContact CG-CB 4.3Å; V157-P174 HydrophobicContact CG1-CG 3.7Å; P174-I176 PolarHBondContact O-N 3.38Å
175K97.1Very high95.9Very high179 Ų179107.9 Ų107.978%0.77855%0.551SS**PPolyproline II helixtrans-63118.3164.8-177.7176-177.6174.70109.6K136K136-K175 WeakPolarHBondContact CE-O 3.41Å; K136-K175 WeakPolarHBondContact CG-O 3.33Å; K136-K175 PolarHBondContact NZ-O 3.33Å
176I97.5Very high96.2Very high31 Ų31105 Ų10516%0.15954%0.538CS..PPolyproline II helixtrans-66.7132.1-177.8-51.7175.1000110.1K136 A138 I141 V153 R154 V157 P174 L179K136-I176 WeakPolarHBondContact O-CA 3.49Å; A138-I176 HydrophobicContact CB-CG2 3.88Å; I141-I176 HydrophobicContact CD1-CD1 4.36Å; I141-I176 HydrophobicContact CD1-CG1 4.21Å; I141-I176 HydrophobicContact CD1-CG2 4.06Å; V153-I176 HydrophobicContact CG2-CD1 4.3Å; R154-I176 HydrophobicContact CB-CD1 4.44Å; R154-I176 HydrophobicContact CG-CD1 4.08Å; V157-I176 HydrophobicContact CG2-CD1 3.36Å; V157-I176 HydrophobicContact CG2-CG1 3.71Å; P174-I176 PolarHBondContact O-N 3.38Å; I176-L179 HydrophobicContact CD1-CD2 4.42Å; I176-L179 HydrophobicContact CG2-CB 4.15Å
177Q97.7Very high96.5Very high99 Ų99105 Ų10546%0.46351%0.513SS..BIsolated β-bridgetrans-100.2148.8175.4-159.8-174.3600111.2K136 A138 L179K136-Q177 PolarHBondContact O-N 2.76Å; A138-Q177 PolarHBondContact N-O 3.14Å; Q177-L179 PolarHBondContact O-N 3.08Å
178R96.6Very high96.7Very high185 Ų185104.6 Ų104.670%0.69851%0.511SS*.SBendtrans59.832.6179.9-55.8-169.8173.7-142-1.7113.5R137R137-R178 HydrophobicContact CG-CB 4.35Å; R137-R178 HydrophobicContact CG-CG 4.39Å
179L96.8Very high96.9Very high38 Ų38104.2 Ų104.220%0.19951%0.505CS..  trans-83136.7169.3-17661.9000109.4V153 R154 I176 Q177 T181V153-L179 HydrophobicContact CG2-CD1 3.5Å; V153-L179 VanDerWaalsContact CG2-CD1 3.5Å; R154-L179 HydrophobicContact CG-CD2 4.01Å; I176-L179 HydrophobicContact CD1-CD2 4.42Å; I176-L179 HydrophobicContact CG2-CB 4.15Å; Q177-L179 PolarHBondContact O-N 3.08Å; L179-T181 HydrophobicContact CB-CG2 4.43Å; L179-T181 HydrophobicContact CD2-CG2 4.26Å; L179-T181 HydrophobicContact CG-CG2 4.19Å; L179-T181 PolarHBondContact O-N 2.96Å
180V96.1Very high97Very high103 Ų103107.2 Ų107.262%0.62450%0.501SS*.  trans-72.7118.7170.3-177.80000107.7L185V180-L185 HydrophobicContact CG1-CD1 4.42Å; V180-L185 HydrophobicContact CG1-CD2 3.93Å; V180-L185 HydrophobicContact CG1-CG 4.12Å
181T96.8Very high97.2Very high42 Ų42107.3 Ų107.326%0.25850%0.502SS..  trans-123.3157.7178.563.10000110.3L179 R183 V184 L185L179-T181 HydrophobicContact CB-CG2 4.43Å; L179-T181 HydrophobicContact CD2-CG2 4.26Å; L179-T181 HydrophobicContact CG-CG2 4.19Å; L179-T181 PolarHBondContact O-N 2.96Å; T181-R183 PolarHBondContact O-N 2.98Å; T181-R183 VanDerWaalsContact O-N 3.14Å; T181-V184 WeakPolarHBondContact O-CB 3.47Å; T181-V184 PolarHBondContact O-N 3.19Å; T181-V184 WeakPolarHBondContact OG1-CG2 3.5Å; T181-V184 PolarHBondContact OG1-N 3.5Å; T181-L185 PolarHBondContact O-N 3.12Å; T181-L185 VanDerWaalsContact O-N 3.11Å
182P97.9Very high97.4Very high102 Ų102107.6 Ų107.666%0.66250%0.5SS*.Hα-helixtrans-52-38.1176.9-29.135.9000113V184 L185 Q186P182-V184 PolarHBondContact O-N 2.81Å; P182-L185 WeakPolarHBondContact O-CB 3.39Å; P182-L185 PolarHBondContact O-N 3.36Å; P182-Q186 WeakPolarHBondContact O-CB 3.21Å; P182-Q186 PolarHBondContact O-N 3.19Å
183R97.7Very high97.5Very high174 Ų174104.7 Ų104.766%0.65750%0.495SS*.Hα-helixtrans-61.5-41.4174.9-173174.9-1801791.9113.2T181 L185 Q186 H187T181-R183 PolarHBondContact O-N 2.98Å; T181-R183 VanDerWaalsContact O-N 3.14Å; R183-L185 VanDerWaalsContact C-N 3.34Å; R183-Q186 PolarHBondContact O-N 3.47Å; R183-H187 PolarHBondContact O-CD2 3.26Å; R183-H187 VanDerWaalsContact O-CD2 3.31Å; R183-H187 VanDerWaalsContact O-CG 3.28Å; R183-H187 PolarHBondContact O-N 2.86Å
184V97.2Very high97.7Very high75 Ų75105.3 Ų105.346%0.45549%0.491SS..Hα-helixtrans-65-40.7176.3172.40000110.6T181 P182 H187 K188T181-V184 WeakPolarHBondContact O-CB 3.47Å; T181-V184 PolarHBondContact O-N 3.19Å; T181-V184 WeakPolarHBondContact OG1-CG2 3.5Å; T181-V184 PolarHBondContact OG1-N 3.5Å; P182-V184 PolarHBondContact O-N 2.81Å; V184-H187 PolarHBondContact O-N 3.29Å; V184-K188 PolarHBondContact O-N 3.16Å
185L97.9Very high97.8Very high79 Ų79109.7 Ų109.741%0.41451%0.506SS..Hα-helixtrans-64.2-43.2175.5-62.2177.9000111.4V180 T181 P182 R183 K188 R189V180-L185 HydrophobicContact CG1-CD1 4.42Å; V180-L185 HydrophobicContact CG1-CD2 3.93Å; V180-L185 HydrophobicContact CG1-CG 4.12Å; T181-L185 PolarHBondContact O-N 3.12Å; T181-L185 VanDerWaalsContact O-N 3.11Å; P182-L185 WeakPolarHBondContact O-CB 3.39Å; P182-L185 PolarHBondContact O-N 3.36Å; R183-L185 VanDerWaalsContact C-N 3.34Å; L185-K188 WeakPolarHBondContact O-CB 3.37Å; L185-K188 PolarHBondContact O-N 2.88Å; L185-R189 WeakPolarHBondContact O-CG 3.32Å; L185-R189 PolarHBondContact O-N 2.69Å
186Q98.4Very high97.8Very high127 Ų127110 Ų11059%0.59350%0.502SS*.Hα-helixtrans-61.6-45175.3-170-172.527.100111.9P182 R183 K188 R189 R190P182-Q186 WeakPolarHBondContact O-CB 3.21Å; P182-Q186 PolarHBondContact O-N 3.19Å; R183-Q186 PolarHBondContact O-N 3.47Å; Q186-K188 VanDerWaalsContact C-N 3.27Å; Q186-K188 PolarHBondContact O-N 3.15Å; Q186-R189 PolarHBondContact O-N 3.31Å; Q186-R190 WeakPolarHBondContact O-CB 3.34Å; Q186-R190 PolarHBondContact O-N 3.48Å
187H98.4Very high97.9Very high93 Ų93114.4 Ų114.443%0.43152%0.522SS..Hα-helixtrans-59.8-38.1174.9-71.1-175.3000111.8R183 V184 R191R183-H187 PolarHBondContact O-CD2 3.26Å; R183-H187 VanDerWaalsContact O-CD2 3.31Å; R183-H187 VanDerWaalsContact O-CG 3.28Å; R183-H187 PolarHBondContact O-N 2.86Å; V184-H187 PolarHBondContact O-N 3.29Å; H187-R191 WeakPolarHBondContact O-CB 3.22Å; H187-R191 PolarHBondContact O-N 3.36Å
188K98.4Very high97.9Very high131 Ų131117.7 Ų117.757%0.5753%0.53SS*.Hα-helixtrans-66.1-46175.6-169.1178-179.2-175.90111.3V184 L185 Q186 R191 I192V184-K188 PolarHBondContact O-N 3.16Å; L185-K188 WeakPolarHBondContact O-CB 3.37Å; L185-K188 PolarHBondContact O-N 2.88Å; Q186-K188 VanDerWaalsContact C-N 3.27Å; Q186-K188 PolarHBondContact O-N 3.15Å; K188-R191 PolarHBondContact O-N 3.39Å; K188-I192 HydrophobicContact CG-CD1 4.34Å; K188-I192 WeakPolarHBondContact O-CG1 3.46Å; K188-I192 PolarHBondContact O-N 3.44Å; K188-I192 VanDerWaalsContact O-N 3.13Å
189R98.4Very high98Very high186 Ų186113.7 Ų113.770%0.70253%0.527SS*.Hα-helixtrans-58.6-48.9174.9-70176.3-174.5171.10.8111.4L185 Q186 R191 I192 A193L185-R189 WeakPolarHBondContact O-CG 3.32Å; L185-R189 PolarHBondContact O-N 2.69Å; Q186-R189 PolarHBondContact O-N 3.31Å; R189-R191 VanDerWaalsContact C-N 3.35Å; R189-R191 PolarHBondContact O-N 3.45Å; R189-I192 PolarHBondContact O-N 3.4Å; R189-I192 VanDerWaalsContact O-N 3.16Å; R189-A193 PolarHBondContact O-N 3.44Å
190R98.4Very high98.1Very high174 Ų174116.4 Ų116.466%0.65754%0.538SS*.Hα-helixtrans-57.2-44.9176.9-176.8179177.8-174.90.3112.1Q186 I192 A193 L194Q186-R190 WeakPolarHBondContact O-CB 3.34Å; Q186-R190 PolarHBondContact O-N 3.48Å; R190-I192 VanDerWaalsContact C-N 3.32Å; R190-I192 PolarHBondContact O-N 2.65Å; R190-A193 PolarHBondContact O-N 2.73Å; R190-L194 HydrophobicContact CG-CD1 4.26Å; R190-L194 WeakPolarHBondContact O-CG 3.45Å; R190-L194 PolarHBondContact O-N 3.46Å
191R98.5Very high98.2Very high165 Ų165117 Ų11762%0.62353%0.532SS*.Hα-helixtrans-59.5-43.8177.5-173.6-169.7-60.4160.7-0.5111.8H187 K188 R189 K195H187-R191 WeakPolarHBondContact O-CB 3.22Å; H187-R191 PolarHBondContact O-N 3.36Å; K188-R191 PolarHBondContact O-N 3.39Å; R189-R191 VanDerWaalsContact C-N 3.35Å; R189-R191 PolarHBondContact O-N 3.45Å; R191-K195 WeakPolarHBondContact O-CG 3.43Å; R191-K195 PolarHBondContact O-N 2.87Å
192I98.3Very high98.2Very high75 Ų75119.8 Ų119.839%0.38555%0.546SS..Hα-helixtrans-67.1-43.1178.6-65.9168.5000110.3K188 R189 R190 L194 K195 R196K188-I192 HydrophobicContact CG-CD1 4.34Å; K188-I192 WeakPolarHBondContact O-CG1 3.46Å; K188-I192 PolarHBondContact O-N 3.44Å; K188-I192 VanDerWaalsContact O-N 3.13Å; R189-I192 PolarHBondContact O-N 3.4Å; R189-I192 VanDerWaalsContact O-N 3.16Å; R190-I192 VanDerWaalsContact C-N 3.32Å; R190-I192 PolarHBondContact O-N 2.65Å; I192-L194 PolarHBondContact O-N 2.68Å; I192-K195 WeakPolarHBondContact O-CB 3.28Å; I192-K195 PolarHBondContact O-N 3.38Å; I192-R196 PolarHBondContact O-N 2.58Å
193A98.5Very high98.2Very high44 Ų44122 Ų12236%0.36455%0.545SS..Hα-helixtrans-58.8-46.1176.400000112.1R189 R190 K195 R196 Q197R189-A193 PolarHBondContact O-N 3.44Å; R190-A193 PolarHBondContact O-N 2.73Å; A193-K195 VanDerWaalsContact C-N 3.3Å; A193-K195 PolarHBondContact O-N 3.07Å; A193-R196 PolarHBondContact O-N 3.4Å; A193-R196 VanDerWaalsContact O-N 3.15Å; A193-Q197 WeakPolarHBondContact O-CG 3.23Å; A193-Q197 PolarHBondContact O-N 2.83Å
194L98.6Very high98.3Very high64 Ų64118.5 Ų118.534%0.33554%0.536SS..Hα-helixtrans-61.5-37176.5-72.6172.9000112.6R190 I192 R198R190-L194 HydrophobicContact CG-CD1 4.26Å; R190-L194 WeakPolarHBondContact O-CG 3.45Å; R190-L194 PolarHBondContact O-N 3.46Å; I192-L194 PolarHBondContact O-N 2.68Å; L194-R198 VanDerWaalsContact O-CG 3.26Å; L194-R198 WeakPolarHBondContact O-CG 3.5Å; L194-R198 PolarHBondContact O-N 3.21Å
195K98.5Very high98.3Very high137 Ų137119.3 Ų119.360%0.59654%0.535SS*.Hα-helixtrans-63.1-46.4174.1-74.2-175.3174-163.40111.2R191 I192 A193 R198 T199R191-K195 WeakPolarHBondContact O-CG 3.43Å; R191-K195 PolarHBondContact O-N 2.87Å; I192-K195 WeakPolarHBondContact O-CB 3.28Å; I192-K195 PolarHBondContact O-N 3.38Å; A193-K195 VanDerWaalsContact C-N 3.3Å; A193-K195 PolarHBondContact O-N 3.07Å; K195-R198 PolarHBondContact O-N 3.39Å; K195-T199 PolarHBondContact O-N 3.44Å; K195-T199 PolarHBondContact O-OG1 3.05Å
196R98.4Very high98.3Very high185 Ų185118.3 Ų118.370%0.69854%0.538SS*.Hα-helixtrans-61-45.4177.3-69.4178.6178.8179.6-3111.9I192 A193 R198 T199 Q200I192-R196 PolarHBondContact O-N 2.58Å; A193-R196 PolarHBondContact O-N 3.4Å; A193-R196 VanDerWaalsContact O-N 3.15Å; R196-R198 VanDerWaalsContact C-N 3.35Å; R196-R198 PolarHBondContact O-N 3.31Å; R196-T199 PolarHBondContact O-N 2.98Å; R196-Q200 WeakPolarHBondContact O-CB 3.4Å; R196-Q200 PolarHBondContact O-N 3.17Å
197Q98.3Very high98.2Very high125 Ų125115.1 Ų115.158%0.58453%0.53SS*.Hα-helixtrans-59.6-43.2177.1-75.2176.1-14.300112.2A193 Q200 K201A193-Q197 WeakPolarHBondContact O-CG 3.23Å; A193-Q197 PolarHBondContact O-N 2.83Å; Q197-Q200 PolarHBondContact O-N 2.98Å; Q197-K201 WeakPolarHBondContact O-CB 3.44Å; Q197-K201 PolarHBondContact O-N 2.77Å
198R98.5Very high98.2Very high168 Ų168117.2 Ų117.263%0.63454%0.54SS*.Hα-helixtrans-62.8-44.9176.1-71.2170-171.5-176.9-1112.1L194 K195 R196 Q200 K201 N202L194-R198 VanDerWaalsContact O-CG 3.26Å; L194-R198 WeakPolarHBondContact O-CG 3.5Å; L194-R198 PolarHBondContact O-N 3.21Å; K195-R198 PolarHBondContact O-N 3.39Å; R196-R198 VanDerWaalsContact C-N 3.35Å; R196-R198 PolarHBondContact O-N 3.31Å; R198-Q200 VanDerWaalsContact C-N 3.33Å; R198-Q200 PolarHBondContact O-N 2.87Å; R198-K201 PolarHBondContact O-N 2.95Å; R198-N202 WeakPolarHBondContact O-CB 3.38Å; R198-N202 VanDerWaalsContact O-CG 3.22Å; R198-N202 PolarHBondContact O-N 3.25Å; R198-N202 PolarHBondContact O-OD1 3.01Å
199T98.3Very high98.1Very high101 Ų101118.2 Ų118.262%0.6254%0.541SS*.Hα-helixtrans-62.1-43177-58.90000111.6K195 R196 N202 K203K195-T199 PolarHBondContact O-N 3.44Å; K195-T199 PolarHBondContact O-OG1 3.05Å; R196-T199 PolarHBondContact O-N 2.98Å; T199-N202 PolarHBondContact O-N 2.7Å; T199-K203 WeakPolarHBondContact O-CB 3.29Å; T199-K203 PolarHBondContact O-N 3.33Å
200Q98.2Very high98.1Very high94 Ų94112 Ų11244%0.43953%0.53SS..Hα-helixtrans-63.2-48.8178.1-176.262.321.800111.3R196 Q197 R198 N202 K203 E204R196-Q200 WeakPolarHBondContact O-CB 3.4Å; R196-Q200 PolarHBondContact O-N 3.17Å; Q197-Q200 PolarHBondContact O-N 2.98Å; R198-Q200 VanDerWaalsContact C-N 3.33Å; R198-Q200 PolarHBondContact O-N 2.87Å; Q200-N202 PolarHBondContact O-N 3.31Å; Q200-K203 WeakPolarHBondContact O-CB 3.32Å; Q200-K203 PolarHBondContact O-N 2.95Å; Q200-K203 VanDerWaalsContact O-N 3.09Å; Q200-E204 WeakPolarHBondContact CG-OE1 3.42Å; Q200-E204 PolarHBondContact NE2-OE1 3.46Å; Q200-E204 WeakPolarHBondContact O-CG 3.23Å; Q200-E204 PolarHBondContact O-N 2.89Å
201K98.3Very high98Very high115 Ų115111.2 Ų111.250%0.553%0.531SS..Hα-helixtrans-55.3-49.1176.2178.7177171.1175.60111.7Q197 R198 K203 E204 E205Q197-K201 WeakPolarHBondContact O-CB 3.44Å; Q197-K201 PolarHBondContact O-N 2.77Å; R198-K201 PolarHBondContact O-N 2.95Å; K201-K203 VanDerWaalsContact C-N 3.27Å; K201-K203 PolarHBondContact O-N 3.22Å; K201-E204 PolarHBondContact O-N 2.81Å; K201-E205 WeakPolarHBondContact CE-OE1 3.47Å; K201-E205 HydrophobicContact CG-CG 4.38Å; K201-E205 IonicContact NZ-OE1 2.63Å; K201-E205 PolarHBondContact NZ-OE1 3.12Å; K201-E205 WeakPolarHBondContact O-CB 3.31Å; K201-E205 WeakPolarHBondContact O-CG 3.25Å; K201-E205 PolarHBondContact O-N 2.93Å
202N97.9Very high98Very high102 Ų102107.6 Ų107.655%0.54552%0.524SS..Hα-helixtrans-62.2-35.8178.9-68.59.2000112.1R198 T199 Q200 A206R198-N202 WeakPolarHBondContact O-CB 3.38Å; R198-N202 VanDerWaalsContact O-CG 3.22Å; R198-N202 PolarHBondContact O-N 3.25Å; R198-N202 PolarHBondContact O-OD1 3.01Å; T199-N202 PolarHBondContact O-N 2.7Å; Q200-N202 PolarHBondContact O-N 3.31Å; N202-A206 VanDerWaalsContact O-CB 3.26Å; N202-A206 WeakPolarHBondContact O-CB 3.44Å; N202-A206 PolarHBondContact O-N 2.8Å
203K98.1Very high97.9Very high149 Ų149107.8 Ų107.865%0.64853%0.525SS*.Hα-helixtrans-67.7-42.7176.5-173.7-178179-177.20111.3T199 Q200 K201 S207T199-K203 WeakPolarHBondContact O-CB 3.29Å; T199-K203 PolarHBondContact O-N 3.33Å; Q200-K203 WeakPolarHBondContact O-CB 3.32Å; Q200-K203 PolarHBondContact O-N 2.95Å; Q200-K203 VanDerWaalsContact O-N 3.09Å; K201-K203 VanDerWaalsContact C-N 3.27Å; K201-K203 PolarHBondContact O-N 3.22Å; K203-S207 WeakPolarHBondContact O-CB 3.29Å; K203-S207 PolarHBondContact O-N 2.93Å
204E97.8Very high97.8Very high100 Ų100108.6 Ų108.647%0.46753%0.531SS..Hα-helixtrans-62.9-51.8176.6-73.1166.4-176.900110.9Q200 K201 A206 S207 E208Q200-E204 WeakPolarHBondContact CG-OE1 3.42Å; Q200-E204 PolarHBondContact NE2-OE1 3.46Å; Q200-E204 WeakPolarHBondContact O-CG 3.23Å; Q200-E204 PolarHBondContact O-N 2.89Å; K201-E204 PolarHBondContact O-N 2.81Å; E204-A206 VanDerWaalsContact C-N 3.33Å; E204-A206 PolarHBondContact O-N 2.74Å; E204-S207 PolarHBondContact O-N 2.93Å; E204-S207 PolarHBondContact O-OG 2.8Å; E204-E208 PolarHBondContact O-N 3Å
205E97.6Very high97.8Very high91 Ų91111.8 Ų111.843%0.42554%0.543SS..Hα-helixtrans-58.2-42.3177.4-72.4176.9164.100112.1K201 S207 E208 Y209K201-E205 WeakPolarHBondContact CE-OE1 3.47Å; K201-E205 HydrophobicContact CG-CG 4.38Å; K201-E205 IonicContact NZ-OE1 2.63Å; K201-E205 PolarHBondContact NZ-OE1 3.12Å; K201-E205 WeakPolarHBondContact O-CB 3.31Å; K201-E205 WeakPolarHBondContact O-CG 3.25Å; K201-E205 PolarHBondContact O-N 2.93Å; E205-S207 VanDerWaalsContact C-N 3.34Å; E205-S207 PolarHBondContact O-N 2.9Å; E205-E208 PolarHBondContact O-N 3.37Å; E205-Y209 VanDerWaalsContact O-CB 3.29Å; E205-Y209 WeakPolarHBondContact O-CB 3.46Å; E205-Y209 PolarHBondContact O-N 3.31Å
206A97.8Very high97.7Very high59 Ų59113 Ų11349%0.48854%0.544SS..Hα-helixtrans-63.7-40.417600000111.9N202 E204 A210N202-A206 VanDerWaalsContact O-CB 3.26Å; N202-A206 WeakPolarHBondContact O-CB 3.44Å; N202-A206 PolarHBondContact O-N 2.8Å; E204-A206 VanDerWaalsContact C-N 3.33Å; E204-A206 PolarHBondContact O-N 2.74Å; A206-A210 WeakPolarHBondContact O-CB 3.45Å; A206-A210 PolarHBondContact O-N 2.9Å
207S97.6Very high97.6Very high59 Ų59110.1 Ų110.141%0.41354%0.54SS..Hα-helixtrans-68.2-37.8177.878.70000112.4K203 E204 E205 K211K203-S207 WeakPolarHBondContact O-CB 3.29Å; K203-S207 PolarHBondContact O-N 2.93Å; E204-S207 PolarHBondContact O-N 2.93Å; E204-S207 PolarHBondContact O-OG 2.8Å; E205-S207 VanDerWaalsContact C-N 3.34Å; E205-S207 PolarHBondContact O-N 2.9Å; S207-K211 WeakPolarHBondContact O-CG 3.33Å; S207-K211 PolarHBondContact O-N 2.7Å; S207-K211 VanDerWaalsContact O-N 3.16Å
208E97.6Very high97.5Very high137 Ų137110.5 Ų110.564%0.6454%0.539SS*.Hα-helixtrans-68.9-45.6177.4-172.3177.1-174.800110.9E204 E205 A210 K211 L212E204-E208 PolarHBondContact O-N 3Å; E205-E208 PolarHBondContact O-N 3.37Å; E208-A210 VanDerWaalsContact C-N 3.34Å; E208-A210 PolarHBondContact O-N 3.37Å; E208-K211 WeakPolarHBondContact O-CB 3.47Å; E208-K211 PolarHBondContact O-N 3.24Å; E208-L212 PolarHBondContact O-N 3.48Å
209Y97.3Very high97.4Very high152 Ų152105.9 Ų105.960%0.59653%0.525SS*.Hα-helixtrans-61.4-41.7175.3-176.5-104.3000112.1E205 K211 L212 L213E205-Y209 VanDerWaalsContact O-CB 3.29Å; E205-Y209 WeakPolarHBondContact O-CB 3.46Å; E205-Y209 PolarHBondContact O-N 3.31Å; Y209-K211 VanDerWaalsContact C-N 3.34Å; Y209-K211 PolarHBondContact O-N 3.02Å; Y209-L212 PolarHBondContact O-N 3.39Å; Y209-L213 HydrophobicContact CD1-CD1 4.48Å; Y209-L213 HydrophobicContact CE1-CD1 3.65Å; Y209-L213 VanDerWaalsContact O-CB 3.3Å; Y209-L213 WeakPolarHBondContact O-CB 3.32Å; Y209-L213 PolarHBondContact O-N 2.83Å
210A97.4Very high97.2Very high57 Ų57103.7 Ų103.747%0.47152%0.517SS..Hα-helixtrans-60.5-4217600000112.2A206 E208 L213 A214A206-A210 WeakPolarHBondContact O-CB 3.45Å; A206-A210 PolarHBondContact O-N 2.9Å; E208-A210 VanDerWaalsContact C-N 3.34Å; E208-A210 PolarHBondContact O-N 3.37Å; A210-L213 PolarHBondContact O-N 2.91Å; A210-A214 WeakPolarHBondContact O-CB 3.49Å; A210-A214 PolarHBondContact O-N 2.96Å
211K97.3Very high97.1Very high156 Ų156105.8 Ų105.868%0.67853%0.525SS*.Hα-helixtrans-62.8-45.4174.4-71.2172-176.6177.20111.7S207 E208 Y209 A214 K215S207-K211 WeakPolarHBondContact O-CG 3.33Å; S207-K211 PolarHBondContact O-N 2.7Å; S207-K211 VanDerWaalsContact O-N 3.16Å; E208-K211 WeakPolarHBondContact O-CB 3.47Å; E208-K211 PolarHBondContact O-N 3.24Å; Y209-K211 VanDerWaalsContact C-N 3.34Å; Y209-K211 PolarHBondContact O-N 3.02Å; K211-A214 PolarHBondContact O-N 3.04Å; K211-K215 PolarHBondContact O-N 3.43Å; K211-K215 VanDerWaalsContact O-N 3.11Å
212L97.2Very high96.9Very high90 Ų90104.4 Ų104.447%0.47152%0.52SS..Hα-helixtrans-61.6-44.8178.1-178.565000111.5E208 Y209 K215 R216E208-L212 PolarHBondContact O-N 3.48Å; Y209-L212 PolarHBondContact O-N 3.39Å; L212-K215 PolarHBondContact O-N 3.14Å; L212-R216 WeakPolarHBondContact O-CG 3.35Å; L212-R216 PolarHBondContact O-N 3.39Å
213L97.5Very high96.8Very high78 Ų78106.2 Ų106.241%0.40852%0.523SS..Hα-helixtrans-63.7-42.4179.4-166.6148000111.1Y209 A210 K215 R216 M217Y209-L213 HydrophobicContact CD1-CD1 4.48Å; Y209-L213 HydrophobicContact CE1-CD1 3.65Å; Y209-L213 VanDerWaalsContact O-CB 3.3Å; Y209-L213 WeakPolarHBondContact O-CB 3.32Å; Y209-L213 PolarHBondContact O-N 2.83Å; A210-L213 PolarHBondContact O-N 2.91Å; L213-K215 VanDerWaalsContact C-N 3.34Å; L213-K215 PolarHBondContact O-N 2.94Å; L213-R216 PolarHBondContact O-N 3.23Å; L213-M217 HydrophobicContact CD2-CG 3.82Å; L213-M217 WeakPolarHBondContact O-CB 3.32Å; L213-M217 VanDerWaalsContact O-CG 3.25Å; L213-M217 WeakPolarHBondContact O-CG 3.42Å; L213-M217 PolarHBondContact O-N 3.11Å
214A96.8Very high96.6Very high61 Ų61107.6 Ų107.650%0.50452%0.524SS..Hα-helixtrans-59.4-43.3175.100000112.2A210 K211 M217 K218A210-A214 WeakPolarHBondContact O-CB 3.49Å; A210-A214 PolarHBondContact O-N 2.96Å; K211-A214 PolarHBondContact O-N 3.04Å; A214-M217 PolarHBondContact O-N 3.12Å; A214-K218 WeakPolarHBondContact O-CB 3.11Å; A214-K218 PolarHBondContact O-N 3.47Å
215K97.1Very high96.4Very high131 Ų131108 Ų10857%0.5753%0.526SS*.Hα-helixtrans-60.9-49.5175.1-176.5179.5175.6179.60111.7K211 L212 L213 M217 K218 E219K211-K215 PolarHBondContact O-N 3.43Å; K211-K215 VanDerWaalsContact O-N 3.11Å; L212-K215 PolarHBondContact O-N 3.14Å; L213-K215 VanDerWaalsContact C-N 3.34Å; L213-K215 PolarHBondContact O-N 2.94Å; K215-M217 VanDerWaalsContact C-N 3.35Å; K215-M217 PolarHBondContact O-N 2.97Å; K215-K218 WeakPolarHBondContact O-CB 3.21Å; K215-K218 PolarHBondContact O-N 2.87Å; K215-E219 WeakPolarHBondContact CE-OE1 3.23Å; K215-E219 WeakPolarHBondContact O-CG 3.41Å; K215-E219 PolarHBondContact O-N 2.77Å
216R96.7Very high96.1Very high164 Ų164110.1 Ų110.162%0.61954%0.536SS*.Hα-helixtrans-62.4-39.8179.7-68.2-67.1-172.4137.71112.6L212 L213 A220L212-R216 WeakPolarHBondContact O-CG 3.35Å; L212-R216 PolarHBondContact O-N 3.39Å; L213-R216 PolarHBondContact O-N 3.23Å; R216-A220 WeakPolarHBondContact O-CB 3.32Å; R216-A220 PolarHBondContact O-N 3.31Å
217M96.6Very high95.9Very high124 Ų124114.1 Ų114.161%0.61154%0.544SS*.Hα-helixtrans-66.5-37.8176.2-72.1-65-73.400112L213 A214 K215 K221L213-M217 HydrophobicContact CD2-CG 3.82Å; L213-M217 WeakPolarHBondContact O-CB 3.32Å; L213-M217 VanDerWaalsContact O-CG 3.25Å; L213-M217 WeakPolarHBondContact O-CG 3.42Å; L213-M217 PolarHBondContact O-N 3.11Å; A214-M217 PolarHBondContact O-N 3.12Å; K215-M217 VanDerWaalsContact C-N 3.35Å; K215-M217 PolarHBondContact O-N 2.97Å; M217-K221 WeakPolarHBondContact O-CB 3.49Å; M217-K221 PolarHBondContact O-N 2.94Å
218K96.6Very high95.5Very high133 Ų133115 Ų11558%0.57854%0.544SS*.Hα-helixtrans-63.6-50.7174.4-174.9178.8171.9-177.20111.3A214 K215 A220 K221 E222A214-K218 WeakPolarHBondContact O-CB 3.11Å; A214-K218 PolarHBondContact O-N 3.47Å; K215-K218 WeakPolarHBondContact O-CB 3.21Å; K215-K218 PolarHBondContact O-N 2.87Å; K218-A220 VanDerWaalsContact C-N 3.31Å; K218-A220 PolarHBondContact O-N 3.09Å; K218-K221 WeakPolarHBondContact O-CB 3.23Å; K218-K221 PolarHBondContact O-N 2.84Å; K218-K221 VanDerWaalsContact O-N 3.1Å; K218-E222 WeakPolarHBondContact CE-OE1 3.27Å; K218-E222 IonicContact NZ-OE1 3.98Å; K218-E222 WeakPolarHBondContact O-CG 3.25Å; K218-E222 PolarHBondContact O-N 2.83Å
219E95.1Very high95.2Very high71 Ų71111.2 Ų111.233%0.33254%0.536SS..Hα-helixtrans-58.1-41.9176.9-70.3169.7-17500112.1K215 E222 K223K215-E219 WeakPolarHBondContact CE-OE1 3.23Å; K215-E219 WeakPolarHBondContact O-CG 3.41Å; K215-E219 PolarHBondContact O-N 2.77Å; E219-E222 PolarHBondContact O-N 3.2Å; E219-K223 WeakPolarHBondContact O-CG 3.38Å; E219-K223 PolarHBondContact O-N 3.08Å
220A95.5Very high94.8Very high55 Ų55111 Ų11146%0.45554%0.538SS..Hα-helixtrans-65.3-38.4176.400000112.3R216 K218 R224R216-A220 WeakPolarHBondContact O-CB 3.32Å; R216-A220 PolarHBondContact O-N 3.31Å; K218-A220 VanDerWaalsContact C-N 3.31Å; K218-A220 PolarHBondContact O-N 3.09Å; A220-R224 WeakPolarHBondContact O-CB 3.41Å; A220-R224 PolarHBondContact O-N 2.97Å
221K95.9Very high94.4Very high138 Ų138118 Ų11860%0.655%0.552SS**Hα-helixtrans-66.4-43.1175.7-174.3178.4178.3-178.20111.4M217 K218 R224 Q225M217-K221 WeakPolarHBondContact O-CB 3.49Å; M217-K221 PolarHBondContact O-N 2.94Å; K218-K221 WeakPolarHBondContact O-CB 3.23Å; K218-K221 PolarHBondContact O-N 2.84Å; K218-K221 VanDerWaalsContact O-N 3.1Å; K221-R224 PolarHBondContact O-N 2.93Å; K221-Q225 WeakPolarHBondContact O-CG 3.31Å; K221-Q225 PolarHBondContact O-N 3.15Å
222E94.6Very high93.9Very high85 Ų85119.2 Ų119.240%0.39755%0.552SS.*Hα-helixtrans-62-49.2176-73.5169.8176.700111K218 E219 R224 Q225 E226K218-E222 WeakPolarHBondContact CE-OE1 3.27Å; K218-E222 IonicContact NZ-OE1 3.98Å; K218-E222 WeakPolarHBondContact O-CG 3.25Å; K218-E222 PolarHBondContact O-N 2.83Å; E219-E222 PolarHBondContact O-N 3.2Å; E222-R224 VanDerWaalsContact C-N 3.28Å; E222-R224 PolarHBondContact O-N 3.34Å; E222-Q225 CarbonylContact O-C 3.59Å; E222-Q225 WeakPolarHBondContact O-CA 3.35Å; E222-Q225 WeakPolarHBondContact O-CB 3.47Å; E222-Q225 PolarHBondContact O-N 2.94Å; E222-E226 PolarHBondContact O-N 3.48Å
223K95.4Very high93.3Very high140 Ų140123.8 Ų123.861%0.60956%0.563SS**Hα-helixtrans-56.4-40.8173.8-76.5-177.2179.2-177.20112.8E219 E226 Q227E219-K223 WeakPolarHBondContact O-CG 3.38Å; E219-K223 PolarHBondContact O-N 3.08Å; K223-E226 PolarHBondContact O-N 3.37Å; K223-Q227 WeakPolarHBondContact O-CG 3.42Å; K223-Q227 PolarHBondContact O-N 2.97Å
224R93.7Very high92.5Very high178 Ų178125.1 Ų125.167%0.67257%0.57SS**Hα-helixtrans-65.5-40.6176-172.8177.6179.6-178.60.2111.4A220 K221 E222 Q227 I228A220-R224 WeakPolarHBondContact O-CB 3.41Å; A220-R224 PolarHBondContact O-N 2.97Å; K221-R224 PolarHBondContact O-N 2.93Å; E222-R224 VanDerWaalsContact C-N 3.28Å; E222-R224 PolarHBondContact O-N 3.34Å; R224-Q227 PolarHBondContact O-N 3.44Å; R224-I228 HydrophobicContact CG-CD1 4.16Å; R224-I228 VanDerWaalsContact O-CG1 3.26Å; R224-I228 WeakPolarHBondContact O-CG1 3.46Å; R224-I228 PolarHBondContact O-N 2.95Å
225Q93Very high91.6Very high110 Ų110125.6 Ų125.651%0.51457%0.57SS.*Hα-helixtrans-64.6-42.5175.3-76.1-179.6-23.400111.9K221 E222 Q227 I228 A229K221-Q225 WeakPolarHBondContact O-CG 3.31Å; K221-Q225 PolarHBondContact O-N 3.15Å; E222-Q225 CarbonylContact O-C 3.59Å; E222-Q225 WeakPolarHBondContact O-CA 3.35Å; E222-Q225 WeakPolarHBondContact O-CB 3.47Å; E222-Q225 PolarHBondContact O-N 2.94Å; Q225-Q227 PolarHBondContact O-N 2.95Å; Q225-I228 PolarHBondContact O-N 3.28Å; Q225-A229 WeakPolarHBondContact O-CB 3.38Å; Q225-A229 PolarHBondContact O-N 3.27Å
226E92Very high90.5Very high135 Ų135122.6 Ų122.663%0.63157%0.565SS**Hα-helixtrans-59.2-44.6173.9-73.4177.6171.800111.8E222 K223 I228 A229 K230E222-E226 PolarHBondContact O-N 3.48Å; K223-E226 PolarHBondContact O-N 3.37Å; E226-I228 PolarHBondContact O-N 2.94Å; E226-A229 PolarHBondContact O-N 2.9Å; E226-K230 WeakPolarHBondContact O-CB 3.35Å; E226-K230 PolarHBondContact O-N 2.72Å
227Q92.2Very high89.2Confident142 Ų142119.3 Ų119.366%0.66456%0.559SS**Hα-helixtrans-61.6-42.1175-75-175.8-8.300112.2K223 R224 Q225 K230 R231K223-Q227 WeakPolarHBondContact O-CG 3.42Å; K223-Q227 PolarHBondContact O-N 2.97Å; R224-Q227 PolarHBondContact O-N 3.44Å; Q225-Q227 PolarHBondContact O-N 2.95Å; Q227-K230 PolarHBondContact O-N 2.98Å; Q227-R231 WeakPolarHBondContact O-CB 3.45Å; Q227-R231 PolarHBondContact O-N 2.9Å
228I91Very high87.6Confident79 Ų79123 Ų12341%0.40557%0.567SS.*Hα-helixtrans-64.2-43.9175.8-68.8164.7000110.6R224 Q225 E226 R231 R232R224-I228 HydrophobicContact CG-CD1 4.16Å; R224-I228 VanDerWaalsContact O-CG1 3.26Å; R224-I228 WeakPolarHBondContact O-CG1 3.46Å; R224-I228 PolarHBondContact O-N 2.95Å; Q225-I228 PolarHBondContact O-N 3.28Å; E226-I228 PolarHBondContact O-N 2.94Å; I228-R231 PolarHBondContact O-N 2.98Å; I228-R232 PolarHBondContact O-N 3.46Å
229A89.8Confident85.9Confident56 Ų56119.1 Ų119.146%0.46356%0.559SS.*Hα-helixtrans-62.7-43.8177.400000111.3Q225 E226 R231 R232 R233Q225-A229 WeakPolarHBondContact O-CB 3.38Å; Q225-A229 PolarHBondContact O-N 3.27Å; E226-A229 PolarHBondContact O-N 2.9Å; A229-R231 PolarHBondContact O-N 3.4Å; A229-R232 PolarHBondContact O-N 3.43Å; A229-R233 WeakPolarHBondContact O-CB 3.26Å; A229-R233 PolarHBondContact O-N 3Å
230K90.3Very high84.2Confident149 Ų149118.9 Ų118.965%0.64857%0.565SS**Hα-helixtrans-59.1-45.5173.2-172.3175.8-179177.60111.2E226 Q227 R233 L234E226-K230 WeakPolarHBondContact O-CB 3.35Å; E226-K230 PolarHBondContact O-N 2.72Å; Q227-K230 PolarHBondContact O-N 2.98Å; K230-R233 PolarHBondContact O-N 3.22Å; K230-L234 HydrophobicContact CG-CD1 4.26Å; K230-L234 WeakPolarHBondContact O-CG 3.49Å; K230-L234 PolarHBondContact O-N 2.8Å
231R88.6Confident82.3Confident202 Ų202119.8 Ų119.876%0.76257%0.566SS**Hα-helixtrans-60.8-45.2175.8-174.3178.4176.1176.4-1112Q227 I228 A229 L234 S235Q227-R231 WeakPolarHBondContact O-CB 3.45Å; Q227-R231 PolarHBondContact O-N 2.9Å; I228-R231 PolarHBondContact O-N 2.98Å; A229-R231 PolarHBondContact O-N 3.4Å; R231-L234 PolarHBondContact O-N 2.9Å; R231-S235 PolarHBondContact O-N 2.85Å; R231-S235 PolarHBondContact O-OG 2.95Å
232R86.6Confident80.5Confident182 Ų182116.2 Ų116.269%0.68756%0.558SS**Hα-helixtrans-60.8-45.2176.3-78-176.5176.7-178.9-1.6111.9I228 A229 L234 S235 S236I228-R232 PolarHBondContact O-N 3.46Å; A229-R232 PolarHBondContact O-N 3.43Å; R232-L234 PolarHBondContact O-N 2.8Å; R232-S235 WeakPolarHBondContact CA-OG 3.41Å; R232-S235 PolarHBondContact O-N 2.83Å; R232-S235 PolarHBondContact O-OG 3.3Å; R232-S236 PolarHBondContact O-N 3.29Å; R232-S236 PolarHBondContact O-OG 3.24Å
233R84.5Confident78.6Confident187 Ų187119.7 Ų119.771%0.70657%0.572SS**Hα-helixtrans-62.3-41.7178.1-163.2177.1-174.1173.91.7112.2A229 K230 S236 L237A229-R233 WeakPolarHBondContact O-CB 3.26Å; A229-R233 PolarHBondContact O-N 3Å; K230-R233 PolarHBondContact O-N 3.22Å; R233-S236 PolarHBondContact O-N 2.92Å; R233-S236 PolarHBondContact O-OG 3.24Å; R233-L237 HydrophobicContact CG-CD1 4.45Å; R233-L237 WeakPolarHBondContact O-CD1 3.34Å; R233-L237 PolarHBondContact O-N 3.19Å; R233-L237 VanDerWaalsContact O-N 3.12Å
234L81.6Confident76.7Confident106 Ų106115.9 Ų115.956%0.55556%0.563SS**Hα-helixtrans-64.6-39.4174.2-71.5169.2000111.9K230 R231 R232 R238K230-L234 HydrophobicContact CG-CD1 4.26Å; K230-L234 WeakPolarHBondContact O-CG 3.49Å; K230-L234 PolarHBondContact O-N 2.8Å; R231-L234 PolarHBondContact O-N 2.9Å; R232-L234 PolarHBondContact O-N 2.8Å; L234-R238 WeakPolarHBondContact O-CB 3.41Å; L234-R238 PolarHBondContact O-N 2.81Å; L234-R238 VanDerWaalsContact O-N 3.13Å
235S77.6Confident74.7Confident70 Ų70114.2 Ų114.249%0.4956%0.562SS.*Hα-helixtrans-68.1-36176.557.20000113.6R231 R232 R238 A239R231-S235 PolarHBondContact O-N 2.85Å; R231-S235 PolarHBondContact O-OG 2.95Å; R232-S235 WeakPolarHBondContact CA-OG 3.41Å; R232-S235 PolarHBondContact O-N 2.83Å; R232-S235 PolarHBondContact O-OG 3.3Å; S235-R238 PolarHBondContact O-N 2.91Å; S235-A239 PolarHBondContact O-N 3.44Å; S235-A239 VanDerWaalsContact O-N 3.09Å
236S74.3Confident72.8Confident68 Ų68112.9 Ų112.948%0.47657%0.566SS.*Hα-helixtrans-70.1-40.417760.40000112.1R232 R233 R238 A239 S240R232-S236 PolarHBondContact O-N 3.29Å; R232-S236 PolarHBondContact O-OG 3.24Å; R233-S236 PolarHBondContact O-N 2.92Å; R233-S236 PolarHBondContact O-OG 3.24Å; S236-R238 VanDerWaalsContact C-N 3.29Å; S236-R238 PolarHBondContact O-N 2.87Å; S236-A239 PolarHBondContact O-N 2.89Å; S236-S240 PolarHBondContact O-N 2.84Å; S236-S240 PolarHBondContact O-OG 2.91Å
237L68.1Low70.9Confident95 Ų95110.9 Ų110.950%0.49757%0.566SS.*Hα-helixtrans-58.4-42172.9-84.8156.2000111.6R233 A239 S240 T241R233-L237 HydrophobicContact CG-CD1 4.45Å; R233-L237 WeakPolarHBondContact O-CD1 3.34Å; R233-L237 PolarHBondContact O-N 3.19Å; R233-L237 VanDerWaalsContact O-N 3.12Å; L237-A239 VanDerWaalsContact C-N 3.34Å; L237-A239 PolarHBondContact O-N 2.96Å; L237-S240 WeakPolarHBondContact CA-OG 3.46Å; L237-S240 PolarHBondContact O-N 2.77Å; L237-S240 PolarHBondContact O-OG 3.31Å; L237-T241 PolarHBondContact O-N 3.21Å; L237-T241 VanDerWaalsContact O-N 3.08Å; L237-T241 PolarHBondContact O-OG1 2.63Å; L237-T241 VanDerWaalsContact O-OG1 3.12Å
238R63.4Low68.9Low203 Ų203112.3 Ų112.377%0.76657%0.573SS**Hα-helixtrans-67.3-33.1178-153176.3-173.6-177.51.4113L234 S235 S236 T241 S242L234-R238 WeakPolarHBondContact O-CB 3.41Å; L234-R238 PolarHBondContact O-N 2.81Å; L234-R238 VanDerWaalsContact O-N 3.13Å; S235-R238 PolarHBondContact O-N 2.91Å; S236-R238 VanDerWaalsContact C-N 3.29Å; S236-R238 PolarHBondContact O-N 2.87Å; R238-T241 WeakPolarHBondContact CA-OG1 3.44Å; R238-T241 PolarHBondContact O-OG1 2.99Å; R238-S242 PolarHBondContact O-N 3.39Å; R238-S242 PolarHBondContact O-OG 3.15Å
239A60.3Low66.5Low51 Ų51120.8 Ų120.842%0.42161%0.607SS.*Hα-helixtrans-76.2-30.9175.700000113.1S235 S236 L237 S242 K243S235-A239 PolarHBondContact O-N 3.44Å; S235-A239 VanDerWaalsContact O-N 3.09Å; S236-A239 PolarHBondContact O-N 2.89Å; L237-A239 VanDerWaalsContact C-N 3.34Å; L237-A239 PolarHBondContact O-N 2.96Å; A239-S242 WeakPolarHBondContact CA-OG 3.35Å; A239-S242 PolarHBondContact O-OG 2.69Å; A239-K243 PolarHBondContact O-N 2.87Å
240S58.9Low65.3Low65 Ų65124.1 Ų124.146%0.45561%0.614SS.*Hα-helixtrans-71.2-39.5172.548.20000112.3S236 L237 K243 S244S236-S240 PolarHBondContact O-N 2.84Å; S236-S240 PolarHBondContact O-OG 2.91Å; L237-S240 WeakPolarHBondContact CA-OG 3.46Å; L237-S240 PolarHBondContact O-N 2.77Å; L237-S240 PolarHBondContact O-OG 3.31Å; S240-K243 PolarHBondContact O-N 3.02Å; S240-S244 PolarHBondContact O-N 2.8Å; S240-S244 PolarHBondContact O-OG 2.89Å
241T57.5Low64Low75 Ų75122.7 Ų122.746%0.4661%0.612SS.*Hα-helixtrans-66.3-38.3175.547.30000112.3L237 R238 K243 S244 E245L237-T241 PolarHBondContact O-N 3.21Å; L237-T241 VanDerWaalsContact O-N 3.08Å; L237-T241 PolarHBondContact O-OG1 2.63Å; L237-T241 VanDerWaalsContact O-OG1 3.12Å; R238-T241 WeakPolarHBondContact CA-OG1 3.44Å; R238-T241 PolarHBondContact O-OG1 2.99Å; T241-K243 VanDerWaalsContact C-N 3.33Å; T241-K243 PolarHBondContact O-N 2.91Å; T241-S244 WeakPolarHBondContact CA-OG 3.31Å; T241-S244 PolarHBondContact O-N 3.41Å; T241-S244 PolarHBondContact O-OG 3.5Å; T241-E245 PolarHBondContact O-N 3.16Å
242S57.5Low62.6Low63 Ų63118.3 Ų118.344%0.44160%0.604SS.*Hα-helixtrans-69.5-29.9175.861.80000112.9R238 A239 S246R238-S242 PolarHBondContact O-N 3.39Å; R238-S242 PolarHBondContact O-OG 3.15Å; A239-S242 WeakPolarHBondContact CA-OG 3.35Å; A239-S242 PolarHBondContact O-OG 2.69Å; S242-S246 PolarHBondContact O-N 2.79Å; S242-S246 PolarHBondContact O-OG 2.83Å
243K55.4Low61.2Low157 Ų157114.6 Ų114.668%0.68360%0.599SS**Hα-helixtrans-71.3-44173.6-91.3-173.9174.5-175.60112A239 S240 T241 E245 S246 S247A239-K243 PolarHBondContact O-N 2.87Å; S240-K243 PolarHBondContact O-N 3.02Å; T241-K243 VanDerWaalsContact C-N 3.33Å; T241-K243 PolarHBondContact O-N 2.91Å; K243-E245 VanDerWaalsContact C-N 3.3Å; K243-E245 PolarHBondContact O-N 2.84Å; K243-S246 WeakPolarHBondContact CA-OG 3.46Å; K243-S246 PolarHBondContact O-N 2.92Å; K243-S246 VanDerWaalsContact O-N 3.13Å; K243-S246 PolarHBondContact O-OG 2.96Å; K243-S247 PolarHBondContact O-N 3.3Å; K243-S247 VanDerWaalsContact O-N 3.13Å; K243-S247 PolarHBondContact O-OG 3.35Å
244S54.4Low59.8Low60 Ų60110.1 Ų110.142%0.4259%0.593SS.*Hα-helixtrans-61.7-36.9177.751.30000112.8S240 T241 S247S240-S244 PolarHBondContact O-N 2.8Å; S240-S244 PolarHBondContact O-OG 2.89Å; T241-S244 WeakPolarHBondContact CA-OG 3.31Å; T241-S244 PolarHBondContact O-N 3.41Å; T241-S244 PolarHBondContact O-OG 3.5Å; S244-S247 WeakPolarHBondContact CA-OG 3.14Å; S244-S247 PolarHBondContact O-OG 3.41Å; S244-S247 VanDerWaalsContact O-OG 3.1Å
245E52.5Low58.3Low143 Ų143110.3 Ų110.367%0.66860%0.595SS**Hα-helixtrans-69.6-31.2174.5-75.8178.1160.800112.9T241 K243T241-E245 PolarHBondContact O-N 3.16Å; K243-E245 VanDerWaalsContact C-N 3.3Å; K243-E245 PolarHBondContact O-N 2.84Å
246S53.2Low57Low83 Ų83113.2 Ų113.258%0.5860%0.603SS**Hα-helixtrans-77.6-22.4177.367.50000114.4S242 K243S242-S246 PolarHBondContact O-N 2.79Å; S242-S246 PolarHBondContact O-OG 2.83Å; K243-S246 WeakPolarHBondContact CA-OG 3.46Å; K243-S246 PolarHBondContact O-N 2.92Å; K243-S246 VanDerWaalsContact O-N 3.13Å; K243-S246 PolarHBondContact O-OG 2.96Å
247S51.6Low55.6Low93 Ų93116.7 Ų116.765%0.6561%0.612SS**THydrogen-bonded Turntrans-90.93.2177.543.80000114.1K243 S244K243-S247 PolarHBondContact O-N 3.3Å; K243-S247 VanDerWaalsContact O-N 3.13Å; K243-S247 PolarHBondContact O-OG 3.35Å; S244-S247 WeakPolarHBondContact CA-OG 3.14Å; S244-S247 PolarHBondContact O-OG 3.41Å; S244-S247 VanDerWaalsContact O-OG 3.1Å
248Q49.3Very low54.6Low171 Ų171118.5 Ų118.580%0.79962%0.622SS**THydrogen-bonded Turntrans-108.419.7175.4-76.7-171.7-30.900113
249K41Very low53.8Low258 Ų258110.8 Ų110.8100%1.12261%0.609SS**  trans-1240170.4-79.5-171.8176.5-177.60110.9

Retrieved 249 of 249 residues in 141 ms (Link to these results)

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