A0A077ZM10_TRITR Loading...

DUF5641 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZM10, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 155 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
1M68.9Low87.6Confident159 Ų15968.7 Ų68.778%0.78337%0.366SS*.  0-43.50-71.2-58.5-87.900112.7T3 V4 F5M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 2.91Å; M1-V4 WeakPolarHBondContact O-CB 3.43Å; M1-V4 PolarHBondContact O-N 3.01Å; M1-F5 HydrophobicContact CB-CD2 4.39Å; M1-F5 HydrophobicContact CB-CE2 4.12Å; M1-F5 HydrophobicContact CE-CE2 4.05Å; M1-F5 HydrophobicContact CE-CZ 4.21Å; M1-F5 WeakPolarHBondContact O-CD2 3.45Å; M1-F5 PolarHBondContact O-N 3.21Å
2L84.6Confident87.8Confident154 Ų15467.2 Ų67.281%0.80636%0.357SS*.Hα-helixtrans-47.6-46.7-179.8-70.3167.5000114.4V4 F5 A6L2-V4 VanDerWaalsContact C-N 3.31Å; L2-V4 PolarHBondContact O-N 3.47Å; L2-F5 PolarHBondContact O-N 3.16Å; L2-A6 PolarHBondContact O-N 2.91Å
3T84.3Confident88.1Confident67 Ų6764.2 Ų64.241%0.41134%0.342SS..Hα-helixtrans-57.2-39.8177.4-470000113.4M1 E7 W59M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 2.91Å; T3-E7 WeakPolarHBondContact O-CB 3.5Å; T3-E7 WeakPolarHBondContact O-CG 3.01Å; T3-E7 PolarHBondContact O-N 2.82Å; T3-W59 HydrophobicContact CG2-CE3 4.2Å; T3-W59 HydrophobicContact CG2-CZ3 3.66Å
4V88.4Confident88.3Confident12 Ų1260.9 Ų60.97%0.07333%0.33CS..Hα-helixtrans-66.3-45.8179.7173.80000110.3M1 L2 E7 V8 A62 I65 V66M1-V4 WeakPolarHBondContact O-CB 3.43Å; M1-V4 PolarHBondContact O-N 3.01Å; L2-V4 VanDerWaalsContact C-N 3.31Å; L2-V4 PolarHBondContact O-N 3.47Å; V4-E7 PolarHBondContact O-N 3.11Å; V4-V8 HydrophobicContact CG1-CG2 4.39Å; V4-V8 WeakPolarHBondContact O-CB 3.43Å; V4-V8 VanDerWaalsContact O-CG2 3.25Å; V4-V8 WeakPolarHBondContact O-CG2 3.38Å; V4-V8 PolarHBondContact O-N 2.92Å; V4-A62 HydrophobicContact CG2-CB 3.68Å; V4-I65 HydrophobicContact CG1-CB 4.28Å; V4-I65 HydrophobicContact CG1-CG2 3.6Å; V4-I65 HydrophobicContact CG2-CB 4.37Å; V4-I65 HydrophobicContact CG2-CD1 4.27Å; V4-I65 HydrophobicContact CG2-CG2 4.48Å; V4-V66 HydrophobicContact CB-CG2 4.33Å; V4-V66 HydrophobicContact CG1-CG2 3.98Å; V4-V66 HydrophobicContact CG2-CG2 4.42Å
5F91.9Very high88.4Confident131 Ų13161.2 Ų61.258%0.57533%0.325SS*.Hα-helixtrans-65.6-43.7-179.8-71.1-64.9000111.8M1 L2 E7 V8 E9M1-F5 HydrophobicContact CB-CD2 4.39Å; M1-F5 HydrophobicContact CB-CE2 4.12Å; M1-F5 HydrophobicContact CE-CE2 4.05Å; M1-F5 HydrophobicContact CE-CZ 4.21Å; M1-F5 WeakPolarHBondContact O-CD2 3.45Å; M1-F5 PolarHBondContact O-N 3.21Å; L2-F5 PolarHBondContact O-N 3.16Å; F5-E7 PolarHBondContact O-N 3.22Å; F5-V8 PolarHBondContact O-N 2.77Å; F5-E9 VanDerWaalsContact O-CB 3.32Å; F5-E9 WeakPolarHBondContact O-CB 3.35Å; F5-E9 PolarHBondContact O-N 2.87Å
6A90.5Very high88.5Confident52 Ų5257.8 Ų57.843%0.4331%0.307SS..Hα-helixtrans-61.8-41.3176.900000112.2L2 A10L2-A6 PolarHBondContact O-N 2.91Å; A6-A10 WeakPolarHBondContact O-CB 3.31Å; A6-A10 PolarHBondContact O-N 2.84Å
7E89.5Confident88.5Confident11 Ų1157.9 Ų57.95%0.05131%0.307CS..Hα-helixtrans-68.5-40.7175.8-75.8-177.2-155.700112.4T3 V4 F5 A10 L11 I44 W59 Q63 V66T3-E7 WeakPolarHBondContact O-CB 3.5Å; T3-E7 WeakPolarHBondContact O-CG 3.01Å; T3-E7 PolarHBondContact O-N 2.82Å; V4-E7 PolarHBondContact O-N 3.11Å; F5-E7 PolarHBondContact O-N 3.22Å; E7-A10 PolarHBondContact O-N 3.1Å; E7-L11 VanDerWaalsContact O-CG 3.29Å; E7-L11 WeakPolarHBondContact O-CG 3.35Å; E7-L11 PolarHBondContact O-N 2.97Å; E7-I44 HydrophobicContact CG-CD1 3.95Å; E7-W59 VanDerWaalsContact OE1-CH2 3.31Å; E7-W59 WeakPolarHBondContact OE1-CH2 3.31Å; E7-Q63 PolarHBondContact OE1-NE2 3.24Å; E7-Q63 PolarHBondContact OE2-NE2 3.17Å; E7-V66 HydrophobicContact CB-CG1 3.96Å; E7-V66 HydrophobicContact CB-CG2 3.85Å; E7-V66 WeakPolarHBondContact OE2-CG2 3.3Å
8V91.5Very high88.4Confident23 Ų2355.8 Ų55.814%0.13930%0.297CS..Hα-helixtrans-61.8-47.7175.2164.60000111V4 F5 A10 L11 L12 V66 F69V4-V8 HydrophobicContact CG1-CG2 4.39Å; V4-V8 WeakPolarHBondContact O-CB 3.43Å; V4-V8 VanDerWaalsContact O-CG2 3.25Å; V4-V8 WeakPolarHBondContact O-CG2 3.38Å; V4-V8 PolarHBondContact O-N 2.92Å; F5-V8 PolarHBondContact O-N 2.77Å; V8-A10 VanDerWaalsContact C-N 3.27Å; V8-A10 PolarHBondContact O-N 2.97Å; V8-L11 WeakPolarHBondContact O-CB 3.41Å; V8-L11 PolarHBondContact O-N 2.84Å; V8-L11 VanDerWaalsContact O-N 3.15Å; V8-L12 HydrophobicContact CG1-CD1 4.18Å; V8-L12 WeakPolarHBondContact O-CG 3.24Å; V8-L12 PolarHBondContact O-N 3.42Å; V8-V66 HydrophobicContact CG2-CG2 4.46Å; V8-F69 HydrophobicContact CB-CD1 4.37Å; V8-F69 HydrophobicContact CB-CE1 4.33Å; V8-F69 HydrophobicContact CG1-CD1 4.02Å; V8-F69 HydrophobicContact CG1-CD2 4.29Å; V8-F69 HydrophobicContact CG1-CE1 3.58Å; V8-F69 HydrophobicContact CG1-CE2 3.87Å; V8-F69 HydrophobicContact CG1-CG 4.36Å; V8-F69 HydrophobicContact CG1-CZ 3.5Å; V8-F69 HydrophobicContact CG2-CB 4.25Å; V8-F69 HydrophobicContact CG2-CD1 3.74Å; V8-F69 HydrophobicContact CG2-CD2 4.3Å; V8-F69 HydrophobicContact CG2-CE1 4.19Å; V8-F69 HydrophobicContact CG2-CG 3.82Å
9E92.2Very high88.3Confident113 Ų11354.3 Ų54.353%0.52829%0.287SS..Hα-helixtrans-54.6-46.7174.6-176.3-164157.400110.5F5 L11 L12 N13F5-E9 VanDerWaalsContact O-CB 3.32Å; F5-E9 WeakPolarHBondContact O-CB 3.35Å; F5-E9 PolarHBondContact O-N 2.87Å; E9-L11 VanDerWaalsContact C-N 3.34Å; E9-L11 PolarHBondContact O-N 3.22Å; E9-L12 PolarHBondContact O-N 2.88Å; E9-N13 WeakPolarHBondContact CG-ND2 3.36Å; E9-N13 WeakPolarHBondContact O-CB 3.48Å; E9-N13 PolarHBondContact O-N 2.85Å
10A90.7Very high88.1Confident16 Ų1658.3 Ų58.313%0.13231%0.308CS..Hα-helixtrans-63-38.4178.600000113.1A6 E7 V8 L12 G14 F33 I44A6-A10 WeakPolarHBondContact O-CB 3.31Å; A6-A10 PolarHBondContact O-N 2.84Å; E7-A10 PolarHBondContact O-N 3.1Å; V8-A10 VanDerWaalsContact C-N 3.27Å; V8-A10 PolarHBondContact O-N 2.97Å; A10-L12 VanDerWaalsContact C-N 3.35Å; A10-G14 PolarHBondContact O-N 2.88Å; A10-F33 HydrophobicContact CB-CE2 4.38Å; A10-F33 HydrophobicContact CB-CZ 3.89Å; A10-F33 WeakPolarHBondContact O-CE2 3.29Å; A10-I44 HydrophobicContact CB-CD1 3.98Å
11L90.7Very high87.7Confident18 Ų1858.5 Ų58.59%0.09431%0.311CS..Hα-helixtrans-62.8-43175-68.3171.7000112E7 V8 E9 V66 F69 W70 R109 W112E7-L11 VanDerWaalsContact O-CG 3.29Å; E7-L11 WeakPolarHBondContact O-CG 3.35Å; E7-L11 PolarHBondContact O-N 2.97Å; V8-L11 WeakPolarHBondContact O-CB 3.41Å; V8-L11 PolarHBondContact O-N 2.84Å; V8-L11 VanDerWaalsContact O-N 3.15Å; E9-L11 VanDerWaalsContact C-N 3.34Å; E9-L11 PolarHBondContact O-N 3.22Å; L11-V66 HydrophobicContact CD1-CG1 3.57Å; L11-F69 HydrophobicContact CD1-CD1 4.4Å; L11-W70 HydrophobicContact CB-CE3 4.09Å; L11-W70 HydrophobicContact CB-CZ3 4.15Å; L11-W70 HydrophobicContact CD1-CB 4.26Å; L11-W70 HydrophobicContact CD1-CE3 4.02Å; L11-W70 HydrophobicContact CD2-CE3 4.05Å; L11-W70 HydrophobicContact CD2-CZ3 4.24Å; L11-W70 HydrophobicContact CG-CE3 4.28Å; L11-R109 HydrophobicContact CD1-CG 4.03Å; L11-R109 HydrophobicContact CD2-CG 3.75Å; L11-W112 WeakPolarHBondContact O-CZ2 3.46Å; L11-W112 PolarHBondContact O-NE1 3.27Å
12L90.8Very high88.1Confident50 Ų5054.9 Ų54.926%0.26230%0.296SS..Hα-helixtrans-67.8-44.3179.7-66179.3000111.7V8 E9 A10 G14 R15 F69 W73V8-L12 HydrophobicContact CG1-CD1 4.18Å; V8-L12 WeakPolarHBondContact O-CG 3.24Å; V8-L12 PolarHBondContact O-N 3.42Å; E9-L12 PolarHBondContact O-N 2.88Å; A10-L12 VanDerWaalsContact C-N 3.35Å; L12-G14 PolarHBondContact O-N 3.11Å; L12-R15 WeakPolarHBondContact O-CB 3.43Å; L12-R15 PolarHBondContact O-N 3.23Å; L12-R15 VanDerWaalsContact O-N 3.15Å; L12-F69 HydrophobicContact CD1-CZ 4.3Å; L12-F69 HydrophobicContact CD2-CE1 4.27Å; L12-F69 HydrophobicContact CD2-CZ 4.06Å; L12-F69 HydrophobicContact CG-CE1 4.44Å; L12-F69 HydrophobicContact CG-CZ 4.3Å; L12-W73 HydrophobicContact CD2-CD2 3.89Å; L12-W73 HydrophobicContact CD2-CE3 4.3Å; L12-W73 HydrophobicContact CD2-CH2 3.77Å; L12-W73 HydrophobicContact CD2-CZ2 3.26Å; L12-W73 HydrophobicContact CD2-CZ3 4.25Å
13N91.7Very high87.6Confident29 Ų2951.2 Ų51.216%0.15528%0.277CS..Hα-helixtrans-73-17.1-179.7-71.4-18.3000113.3E9 R15 P32 F33 L36E9-N13 WeakPolarHBondContact CG-ND2 3.36Å; E9-N13 WeakPolarHBondContact O-CB 3.48Å; E9-N13 PolarHBondContact O-N 2.85Å; N13-R15 VanDerWaalsContact C-N 3.27Å; N13-P32 HydrophobicContact CB-CB 4.18Å; N13-P32 WeakPolarHBondContact O-CD 3.46Å; N13-F33 HydrophobicContact CB-CD1 3.91Å; N13-F33 HydrophobicContact CB-CD2 3.79Å; N13-F33 HydrophobicContact CB-CE1 3.77Å; N13-F33 HydrophobicContact CB-CE2 3.65Å; N13-F33 HydrophobicContact CB-CG 3.92Å; N13-F33 HydrophobicContact CB-CZ 3.66Å; N13-F33 WeakPolarHBondContact O-CD2 3.19Å; N13-F33 PolarHBondContact O-N 2.87Å; N13-L36 HydrophobicContact CB-CD1 4.35Å; N13-L36 WeakPolarHBondContact ND2-CD1 3.44Å
14G90.2Very high86.8Confident18 Ų1852 Ų5219%0.18628%0.283CS..THydrogen-bonded Turntrans-78.7-4.7170.700000114.4A10 L12 W112A10-G14 PolarHBondContact O-N 2.88Å; L12-G14 PolarHBondContact O-N 3.11Å; G14-W112 PolarHBondContact O-NE1 3.46Å
15R89.5Confident85.9Confident65 Ų6557.4 Ų57.425%0.24531%0.311CS..SBendtrans-67130.8-176.8-171.7-179.666.4-169.1-2.7111.6L12 N13 L17 T31 P32 W112L12-R15 WeakPolarHBondContact O-CB 3.43Å; L12-R15 PolarHBondContact O-N 3.23Å; L12-R15 VanDerWaalsContact O-N 3.15Å; N13-R15 VanDerWaalsContact C-N 3.27Å; R15-L17 PolarHBondContact O-N 3.48Å; R15-T31 WeakPolarHBondContact O-CA 3.11Å; R15-T31 WeakPolarHBondContact O-CB 3Å; R15-P32 WeakPolarHBondContact O-CD 3.46Å; R15-W112 VanDerWaalsContact CA-CE2 3.46Å; R15-W112 HydrophobicContact CB-CD2 4.22Å; R15-W112 HydrophobicContact CB-CH2 3.99Å; R15-W112 HydrophobicContact CB-CZ2 3.51Å; R15-W112 HydrophobicContact CG-CD2 4.06Å; R15-W112 HydrophobicContact CG-CE3 4Å; R15-W112 HydrophobicContact CG-CH2 3.68Å; R15-W112 HydrophobicContact CG-CZ2 3.74Å; R15-W112 HydrophobicContact CG-CZ3 3.82Å
16P90.2Very high84.9Confident6 Ų652.7 Ų52.74%0.03929%0.294CS..  trans-55129167.8-26.935.8000111.5P29 L101 W112 T114 L150P16-P29 HydrophobicContact CB-CB 3.81Å; P16-P29 HydrophobicContact CB-CG 3.74Å; P16-P29 HydrophobicContact CG-CB 4.39Å; P16-P29 HydrophobicContact CG-CG 3.76Å; P16-L101 HydrophobicContact CG-CD1 4.45Å; P16-W112 HydrophobicContact CG-CB 3.65Å; P16-W112 HydrophobicContact CG-CG 4.21Å; P16-T114 HydrophobicContact CB-CG2 4.05Å; P16-T114 HydrophobicContact CG-CG2 3.64Å; P16-L150 HydrophobicContact CB-CD1 4Å; P16-L150 HydrophobicContact CB-CD2 4.02Å; P16-L150 WeakPolarHBondContact O-CD2 3.34Å
17L88.3Confident83.9Confident60 Ų6056.6 Ų56.631%0.31431%0.313SS..  trans-90.1-57168.5-61.3179.3000109.6R15 L30 P32 L35R15-L17 PolarHBondContact O-N 3.48Å; L17-L30 HydrophobicContact CD1-CD2 4.44Å; L17-L30 PolarHBondContact N-O 2.81Å; L17-P32 HydrophobicContact CD1-CG 4.4Å; L17-P32 HydrophobicContact CD2-CG 4.06Å; L17-P32 HydrophobicContact CG-CG 4.35Å; L17-L35 HydrophobicContact CD1-CD1 4.09Å
18T87.7Confident83.6Confident21 Ų2160.4 Ų60.413%0.12933%0.33CS..BIsolated β-bridgetrans-159.1166.1-173.9-173.50000110.5P29 L30 D151T18-P29 CarbonylContact O-C 3.44Å; T18-P29 WeakPolarHBondContact O-CA 3.37Å; T18-P29 WeakPolarHBondContact O-CB 3.38Å; T18-L30 HydrophobicContact CG2-CB 4.11Å; T18-L30 HydrophobicContact CG2-CD2 4.17Å; T18-L30 PolarHBondContact O-N 3.29Å; T18-D151 WeakPolarHBondContact CB-OD2 3.44Å; T18-D151 WeakPolarHBondContact OG1-CB 3.46Å; T18-D151 PolarHBondContact OG1-OD2 3.07Å
19Y86.7Confident83.4Confident27 Ų2759.9 Ų59.911%0.10633%0.327CS..  trans-97.8131.3166.3-80.7-94000109T21 C26 P29 F99 T114 L150Y19-T21 PolarHBondContact O-N 2.78Å; Y19-C26 HydrophobicContact CD1-CB 4.35Å; Y19-C26 WeakPolarHBondContact CE1-O 3.29Å; Y19-P29 HydrophobicContact CD1-CB 4.44Å; Y19-P29 HydrophobicContact CD2-CB 4.21Å; Y19-P29 HydrophobicContact CE1-CB 4.18Å; Y19-P29 HydrophobicContact CE2-CB 3.94Å; Y19-P29 HydrophobicContact CG-CB 4.45Å; Y19-F99 HydrophobicContact CD1-CD1 4.29Å; Y19-F99 HydrophobicContact CD1-CE1 4.05Å; Y19-F99 HydrophobicContact CD2-CB 3.84Å; Y19-F99 AromaticContact CD2-CD1 3.41Å; Y19-F99 HydrophobicContact CD2-CD1 3.41Å; Y19-F99 VanDerWaalsContact CD2-CD1 3.41Å; Y19-F99 HydrophobicContact CD2-CD2 4.39Å; Y19-F99 HydrophobicContact CD2-CE1 4Å; Y19-F99 AromaticContact CD2-CG 3.63Å; Y19-F99 HydrophobicContact CD2-CG 3.63Å; Y19-F99 HydrophobicContact CE1-CE1 4.46Å; Y19-F99 HydrophobicContact CE2-CB 4.42Å; Y19-F99 AromaticContact CE2-CD1 3.78Å; Y19-F99 HydrophobicContact CE2-CD1 3.78Å; Y19-F99 HydrophobicContact CE2-CE1 4.41Å; Y19-F99 HydrophobicContact CE2-CG 4.34Å; Y19-F99 AromaticContact CG-CD1 3.7Å; Y19-F99 HydrophobicContact CG-CD1 3.7Å; Y19-F99 HydrophobicContact CG-CD2 4.39Å; Y19-F99 AromaticContact CG-CE1 3.8Å; Y19-F99 HydrophobicContact CG-CE1 3.8Å; Y19-F99 HydrophobicContact CG-CE2 4.48Å; Y19-F99 AromaticContact CG-CG 4Å; Y19-F99 HydrophobicContact CG-CG 4Å; Y19-F99 HydrophobicContact CG-CZ 4.19Å; Y19-T114 HydrophobicContact CE2-CG2 4.27Å; Y19-T114 WeakPolarHBondContact OH-CB 3.28Å; Y19-T114 PolarHBondContact OH-OG1 2.96Å; Y19-L150 HydrophobicContact CD2-CD1 4.48Å; Y19-L150 HydrophobicContact CE2-CD1 4.11Å
20L83.7Confident83.3Confident133 Ų13356.3 Ų56.370%0.69631%0.312SS*.SBendtrans-76.9-8.6-177.3-63.9177000113.4L30L20-L30 HydrophobicContact CD2-CB 4.26Å; L20-L30 HydrophobicContact CD2-CD2 4.27Å; L20-L30 HydrophobicContact CG-CB 4.29Å
21T80.6Confident83.3Confident63 Ų6355.6 Ų55.639%0.38731%0.306SS..  trans-146.5153.3-177.1178.30000110.6Y19 D23 C26Y19-T21 PolarHBondContact O-N 2.78Å; T21-D23 HydrophobicContact CG2-CB 3.84Å; T21-D23 PolarHBondContact O-N 2.68Å; T21-D23 WeakPolarHBondContact OG1-CB 3.28Å; T21-D23 PolarHBondContact OG1-N 2.74Å; T21-C26 HydrophobicContact CG2-CB 3.42Å; T21-C26 VanDerWaalsContact CG2-CB 3.42Å; T21-C26 WeakPolarHBondContact CG2-SG 3.25Å
22D75.6Confident83.3Confident84 Ų8455.8 Ų55.845%0.44931%0.308SS..  trans-80.9-0.3173.2-69.6-39.6000113.2R116 K154D22-R116 PolarHBondContact O-NH1 2.85Å; D22-K154 IonicContact OD1-NZ 2.69Å; D22-K154 PolarHBondContact OD1-NZ 3.34Å; D22-K154 IonicContact OD2-NZ 2.78Å; D22-K154 PolarHBondContact OD2-NZ 3.31Å
23D75.3Confident83.4Confident76 Ų7654.2 Ų54.241%0.40630%0.299SS..  trans-59.5120.1179.7-175.6-5.3000110.7T21 D25 C26T21-D23 HydrophobicContact CG2-CB 3.84Å; T21-D23 PolarHBondContact O-N 2.68Å; T21-D23 WeakPolarHBondContact OG1-CB 3.28Å; T21-D23 PolarHBondContact OG1-N 2.74Å; D23-D25 PolarHBondContact O-N 2.77Å; D23-D25 VanDerWaalsContact O-N 3.16Å; D23-D25 PolarHBondContact OD1-N 2.96Å; D23-C26 HydrophobicContact CB-CB 4.27Å; D23-C26 VanDerWaalsContact O-CB 3.28Å; D23-C26 WeakPolarHBondContact O-CB 3.38Å; D23-C26 PolarHBondContact O-N 3.28Å
24P66.4Low83.4Confident85 Ų8554.7 Ų54.755%0.55230%0.3SS*.THydrogen-bonded Turntrans-60.6-20.3177.227.4-37.2000114
25D70.3Confident83.5Confident124 Ų12459.7 Ų59.766%0.66332%0.322SS*.THydrogen-bonded Turntrans-95.52179.5-62.5-31.8000112.3D23 V27D23-D25 PolarHBondContact O-N 2.77Å; D23-D25 VanDerWaalsContact O-N 3.16Å; D23-D25 PolarHBondContact OD1-N 2.96Å; D25-V27 VanDerWaalsContact O-CG2 3.24Å; D25-V27 WeakPolarHBondContact O-CG2 3.4Å; D25-V27 PolarHBondContact O-N 2.83Å
26C70.1Confident83.6Confident32 Ų3261.9 Ų61.922%0.21634%0.338CS..  trans-64.4108.1172.1-172.50000110.5Y19 T21 D23Y19-C26 HydrophobicContact CD1-CB 4.35Å; Y19-C26 WeakPolarHBondContact CE1-O 3.29Å; T21-C26 HydrophobicContact CG2-CB 3.42Å; T21-C26 VanDerWaalsContact CG2-CB 3.42Å; T21-C26 WeakPolarHBondContact CG2-SG 3.25Å; D23-C26 HydrophobicContact CB-CB 4.27Å; D23-C26 VanDerWaalsContact O-CB 3.28Å; D23-C26 WeakPolarHBondContact O-CB 3.38Å; D23-C26 PolarHBondContact O-N 3.28Å
27V69.4Low83.6Confident135 Ų13565.8 Ų65.882%0.81836%0.358SS*.  trans-81.6-30.4-173-172.90000112D25D25-V27 VanDerWaalsContact O-CG2 3.24Å; D25-V27 WeakPolarHBondContact O-CG2 3.4Å; D25-V27 PolarHBondContact O-N 2.83Å
28E83.3Confident83.7Confident90 Ų9066 Ų6642%0.42138%0.375SS..  trans-118.1116.8-165.3-173.6166-141.700113.1H34 Q40E28-H34 IonicContact OE1-CE1 2.67Å; E28-H34 IonicContact OE1-NE2 3.24Å; E28-H34 PolarHBondContact OE1-NE2 2.72Å; E28-Q40 WeakPolarHBondContact OE1-CB 3.49Å; E28-Q40 PolarHBondContact OE1-NE2 3.2Å; E28-Q40 PolarHBondContact OE1-OE1 3.23Å
29P88.4Confident83.6Confident12 Ų1273 Ų738%0.07840%0.399CS..  trans-77.3153.4172.230.9-32.6000111.7P16 T18 Y19 H34P16-P29 HydrophobicContact CB-CB 3.81Å; P16-P29 HydrophobicContact CB-CG 3.74Å; P16-P29 HydrophobicContact CG-CB 4.39Å; P16-P29 HydrophobicContact CG-CG 3.76Å; T18-P29 CarbonylContact O-C 3.44Å; T18-P29 WeakPolarHBondContact O-CA 3.37Å; T18-P29 WeakPolarHBondContact O-CB 3.38Å; Y19-P29 HydrophobicContact CD1-CB 4.44Å; Y19-P29 HydrophobicContact CD2-CB 4.21Å; Y19-P29 HydrophobicContact CE1-CB 4.18Å; Y19-P29 HydrophobicContact CE2-CB 3.94Å; Y19-P29 HydrophobicContact CG-CB 4.45Å; P29-H34 PolarHBondContact O-CE1 2.95Å; P29-H34 VanDerWaalsContact O-CE1 3.24Å; P29-H34 PolarHBondContact O-ND1 3.29Å
30L89Confident83.3Confident39 Ų3976.1 Ų76.120%0.20441%0.414CS..BIsolated β-bridgetrans-62139.8165.2-173.172000108.9L17 T18 L20 H34 L35L17-L30 HydrophobicContact CD1-CD2 4.44Å; L17-L30 PolarHBondContact N-O 2.81Å; T18-L30 HydrophobicContact CG2-CB 4.11Å; T18-L30 HydrophobicContact CG2-CD2 4.17Å; T18-L30 PolarHBondContact O-N 3.29Å; L20-L30 HydrophobicContact CD2-CB 4.26Å; L20-L30 HydrophobicContact CD2-CD2 4.27Å; L20-L30 HydrophobicContact CG-CB 4.29Å; L30-H34 HydrophobicContact CD1-CB 3.63Å; L30-L35 HydrophobicContact CD1-CD2 4.47Å
31T91Very high82.7Confident0 Ų072.1 Ų72.10%039%0.394CS..  trans-137.1162-179.569.70000108.8R15 F33 H34R15-T31 WeakPolarHBondContact O-CA 3.11Å; R15-T31 WeakPolarHBondContact O-CB 3Å; T31-F33 PolarHBondContact O-N 3.1Å; T31-F33 VanDerWaalsContact O-N 3.16Å; T31-F33 PolarHBondContact OG1-N 3.06Å; T31-H34 PolarHBondContact N-ND1 3.39Å; T31-H34 WeakPolarHBondContact O-CB 3.32Å; T31-H34 PolarHBondContact O-N 2.77Å; T31-H34 PolarHBondContact OG1-ND1 2.69Å; T31-H34 VanDerWaalsContact OG1-ND1 3.14Å
32P92.2Very high81.7Confident22 Ų2272.8 Ų72.814%0.14341%0.406CS..Hα-helixtrans-53.5-33.1171.9-26.333.1000113.5N13 R15 L17 H34 L35 L36N13-P32 HydrophobicContact CB-CB 4.18Å; N13-P32 WeakPolarHBondContact O-CD 3.46Å; R15-P32 WeakPolarHBondContact O-CD 3.46Å; L17-P32 HydrophobicContact CD1-CG 4.4Å; L17-P32 HydrophobicContact CD2-CG 4.06Å; L17-P32 HydrophobicContact CG-CG 4.35Å; P32-H34 VanDerWaalsContact C-N 3.32Å; P32-H34 PolarHBondContact O-N 3.47Å; P32-L35 WeakPolarHBondContact O-CB 3.15Å; P32-L35 PolarHBondContact O-N 2.83Å; P32-L36 VanDerWaalsContact O-CG 3.31Å; P32-L36 WeakPolarHBondContact O-CG 3.3Å; P32-L36 PolarHBondContact O-N 2.85Å
33F92.5Very high81Confident18 Ų1876.7 Ų76.78%0.07942%0.422CS..Hα-helixtrans-61.3-37.2175.2-82.8-54.1000113.9A10 N13 T31 L35 L36 I37 G38 R39 N41A10-F33 HydrophobicContact CB-CE2 4.38Å; A10-F33 HydrophobicContact CB-CZ 3.89Å; A10-F33 WeakPolarHBondContact O-CE2 3.29Å; N13-F33 HydrophobicContact CB-CD1 3.91Å; N13-F33 HydrophobicContact CB-CD2 3.79Å; N13-F33 HydrophobicContact CB-CE1 3.77Å; N13-F33 HydrophobicContact CB-CE2 3.65Å; N13-F33 HydrophobicContact CB-CG 3.92Å; N13-F33 HydrophobicContact CB-CZ 3.66Å; N13-F33 WeakPolarHBondContact O-CD2 3.19Å; N13-F33 PolarHBondContact O-N 2.87Å; T31-F33 PolarHBondContact O-N 3.1Å; T31-F33 VanDerWaalsContact O-N 3.16Å; T31-F33 PolarHBondContact OG1-N 3.06Å; F33-L35 PolarHBondContact O-N 2.8Å; F33-L36 PolarHBondContact O-N 2.69Å; F33-I37 HydrophobicContact CB-CD1 4.43Å; F33-I37 HydrophobicContact CB-CG1 4.28Å; F33-I37 HydrophobicContact CD1-CD1 3.83Å; F33-I37 HydrophobicContact CD1-CG1 4.09Å; F33-I37 HydrophobicContact CE1-CD1 4.45Å; F33-I37 HydrophobicContact CG-CD1 4.42Å; F33-I37 WeakPolarHBondContact O-CG1 3.13Å; F33-I37 PolarHBondContact O-N 2.81Å; F33-G38 PolarHBondContact O-N 2.85Å; F33-R39 CarbonylContact C-O 3.58Å; F33-R39 VanDerWaalsContact C-O 3.29Å; F33-R39 WeakPolarHBondContact CB-O 3.04Å; F33-N41 HydrophobicContact CB-CB 4.48Å; F33-N41 HydrophobicContact CD1-CB 3.97Å; F33-N41 HydrophobicContact CD2-CB 3.27Å; F33-N41 HydrophobicContact CE1-CB 3.86Å; F33-N41 HydrophobicContact CE2-CB 3.12Å; F33-N41 HydrophobicContact CG-CB 3.69Å; F33-N41 HydrophobicContact CZ-CB 3.42Å; F33-N41 VanDerWaalsContact CZ-CB 3.42Å; F33-N41 WeakPolarHBondContact CZ-ND2 3.43Å
34H91.8Very high80Confident38 Ų3876.9 Ų76.918%0.17642%0.422CS..Hα-helixtrans-58-36.8173.7-68.8117.6000111.8E28 P29 L30 T31 P32 G38 R39 Q40E28-H34 IonicContact OE1-CE1 2.67Å; E28-H34 IonicContact OE1-NE2 3.24Å; E28-H34 PolarHBondContact OE1-NE2 2.72Å; P29-H34 PolarHBondContact O-CE1 2.95Å; P29-H34 VanDerWaalsContact O-CE1 3.24Å; P29-H34 PolarHBondContact O-ND1 3.29Å; L30-H34 HydrophobicContact CD1-CB 3.63Å; T31-H34 PolarHBondContact N-ND1 3.39Å; T31-H34 WeakPolarHBondContact O-CB 3.32Å; T31-H34 PolarHBondContact O-N 2.77Å; T31-H34 PolarHBondContact OG1-ND1 2.69Å; T31-H34 VanDerWaalsContact OG1-ND1 3.14Å; P32-H34 VanDerWaalsContact C-N 3.32Å; P32-H34 PolarHBondContact O-N 3.47Å; H34-G38 WeakPolarHBondContact O-CA 3.43Å; H34-G38 PolarHBondContact O-N 3.35Å; H34-G38 VanDerWaalsContact O-N 3.1Å; H34-R39 VanDerWaalsContact CD2-C 3.48Å; H34-Q40 PolarHBondContact CD2-N 2.95Å; H34-Q40 PolarHBondContact NE2-N 3.02Å; H34-Q40 VanDerWaalsContact NE2-N 3.17Å
35L91.3Very high79.4Confident124 Ų12477.4 Ų77.465%0.64943%0.425SS*.Hα-helixtrans-77.4-38.7177.8-55.2178.5000112.6L17 L30 P32 F33L17-L35 HydrophobicContact CD1-CD1 4.09Å; L30-L35 HydrophobicContact CD1-CD2 4.47Å; P32-L35 WeakPolarHBondContact O-CB 3.15Å; P32-L35 PolarHBondContact O-N 2.83Å; F33-L35 PolarHBondContact O-N 2.8Å
36L91.7Very high78.7Confident111 Ų11174 Ų7458%0.58141%0.411SS*.Hα-helixtrans-77.9-39.9-175-69.7170.8000113.4N13 P32 F33N13-L36 HydrophobicContact CB-CD1 4.35Å; N13-L36 WeakPolarHBondContact ND2-CD1 3.44Å; P32-L36 VanDerWaalsContact O-CG 3.31Å; P32-L36 WeakPolarHBondContact O-CG 3.3Å; P32-L36 PolarHBondContact O-N 2.85Å; F33-L36 PolarHBondContact O-N 2.69Å
37I90.7Very high77.8Confident87 Ų8779.3 Ų79.345%0.44644%0.437SS..Hα-helixtrans-132.53.2-170.361.7167.2000113.5F33 R39F33-I37 HydrophobicContact CB-CD1 4.43Å; F33-I37 HydrophobicContact CB-CG1 4.28Å; F33-I37 HydrophobicContact CD1-CD1 3.83Å; F33-I37 HydrophobicContact CD1-CG1 4.09Å; F33-I37 HydrophobicContact CE1-CD1 4.45Å; F33-I37 HydrophobicContact CG-CD1 4.42Å; F33-I37 WeakPolarHBondContact O-CG1 3.13Å; F33-I37 PolarHBondContact O-N 2.81Å; I37-R39 VanDerWaalsContact C-N 3.28Å; I37-R39 HydrophobicContact CD1-CG 3.91Å; I37-R39 HydrophobicContact CG1-CG 4.09Å; I37-R39 WeakPolarHBondContact CG1-O 3.44Å; I37-R39 PolarHBondContact O-N 2.7Å
38G89.7Confident77.2Confident66 Ų6677.4 Ų77.468%0.6843%0.425SS*.SBendtrans76.66.9177.100000115.4F33 H34F33-G38 PolarHBondContact O-N 2.85Å; H34-G38 WeakPolarHBondContact O-CA 3.43Å; H34-G38 PolarHBondContact O-N 3.35Å; H34-G38 VanDerWaalsContact O-N 3.1Å
39R86.6Confident75.7Confident168 Ų16878.8 Ų78.863%0.63444%0.44SS*.SBendtrans-154.2158-179.862.1-179.8-179.2178.70.6111.3F33 H34 I37F33-R39 CarbonylContact C-O 3.58Å; F33-R39 VanDerWaalsContact C-O 3.29Å; F33-R39 WeakPolarHBondContact CB-O 3.04Å; H34-R39 VanDerWaalsContact CD2-C 3.48Å; I37-R39 VanDerWaalsContact C-N 3.28Å; I37-R39 HydrophobicContact CD1-CG 3.91Å; I37-R39 HydrophobicContact CG1-CG 4.09Å; I37-R39 WeakPolarHBondContact CG1-O 3.44Å; I37-R39 PolarHBondContact O-N 2.7Å
40Q79.3Confident74Confident91 Ų9181.3 Ų81.343%0.42545%0.453SS..PPolyproline II helixtrans-62.3137.2164.5-175.1173.689.900109.5E28 H34 A42E28-Q40 WeakPolarHBondContact OE1-CB 3.49Å; E28-Q40 PolarHBondContact OE1-NE2 3.2Å; E28-Q40 PolarHBondContact OE1-OE1 3.23Å; H34-Q40 PolarHBondContact CD2-N 2.95Å; H34-Q40 PolarHBondContact NE2-N 3.02Å; H34-Q40 VanDerWaalsContact NE2-N 3.17Å; Q40-A42 PolarHBondContact O-N 2.8Å
41N71Confident72.6Confident50 Ų5087 Ų8727%0.26748%0.484SS..PPolyproline II helixtrans-66.2125.8176.7-17323.4000109.5F33 Q43F33-N41 HydrophobicContact CB-CB 4.48Å; F33-N41 HydrophobicContact CD1-CB 3.97Å; F33-N41 HydrophobicContact CD2-CB 3.27Å; F33-N41 HydrophobicContact CE1-CB 3.86Å; F33-N41 HydrophobicContact CE2-CB 3.12Å; F33-N41 HydrophobicContact CG-CB 3.69Å; F33-N41 HydrophobicContact CZ-CB 3.42Å; F33-N41 VanDerWaalsContact CZ-CB 3.42Å; F33-N41 WeakPolarHBondContact CZ-ND2 3.43Å; N41-Q43 PolarHBondContact O-N 2.88Å; N41-Q43 VanDerWaalsContact O-N 3.11Å
42A59.2Low71.4Confident77 Ų7795.3 Ų95.364%0.63652%0.515SS*.PPolyproline II helixtrans-60.1117.3169.700000107.4Q40 I44Q40-A42 PolarHBondContact O-N 2.8Å; A42-I44 PolarHBondContact O-N 3.13Å
43Q61.1Low70.3Confident166 Ų166100 Ų10078%0.77654%0.544SS*.  trans-31.8132.2178.7-61.2-175.1-42.100111.6N41 P45N41-Q43 PolarHBondContact O-N 2.88Å; N41-Q43 VanDerWaalsContact O-N 3.11Å; Q43-P45 WeakPolarHBondContact O-CD 3.2Å
44I55.1Low69.2Low80 Ų80102.8 Ų102.841%0.4157%0.565SS.*  trans-74.6100.8164-54.3171000105.5E7 A10 A42 S46E7-I44 HydrophobicContact CG-CD1 3.95Å; A10-I44 HydrophobicContact CB-CD1 3.98Å; A42-I44 PolarHBondContact O-N 3.13Å; I44-S46 PolarHBondContact O-N 2.85Å
45P54.1Low68.4Low96 Ų96105 Ų10562%0.62358%0.578SS**  trans-69.5122.9177.4-930.2000105.7Q43 D47Q43-P45 WeakPolarHBondContact O-CD 3.2Å; P45-D47 PolarHBondContact O-N 2.91Å
46S54.5Low67.8Low52 Ų52105.5 Ų105.536%0.36457%0.571SS.*SBendtrans-69.36.7-174.1-167.90000114.2I44 Q63 R109I44-S46 PolarHBondContact O-N 2.85Å; S46-Q63 PolarHBondContact OG-OE1 3.03Å; S46-Q63 VanDerWaalsContact OG-OE1 3.09Å; S46-R109 PolarHBondContact OG-NH2 2.67Å
47D52.9Low67.4Low143 Ų143109.5 Ų109.577%0.76558%0.579SS**  trans-108.560.9-166.8-140.510.3000111.4P45P45-D47 PolarHBondContact O-N 2.91Å
48V55.2Low67Low95 Ų95111.9 Ų111.958%0.57659%0.588SS**  trans-88.8101.6165.6-175.70000107.7D50 W59V48-D50 VanDerWaalsContact C-N 3.33Å; V48-D50 HydrophobicContact CG1-CB 4.43Å; V48-D50 PolarHBondContact O-N 3.18Å; V48-D50 VanDerWaalsContact O-N 3.12Å; V48-W59 HydrophobicContact CG2-CZ2 4.45Å
49T51.7Low66.7Low120 Ų120112.1 Ų112.174%0.73657%0.568SS**  trans-79.280.2169.253.10000109.7
50D54.5Low66.7Low65 Ų65109.2 Ų109.235%0.34856%0.56SS.*  trans-89125.1167.3-172.20.2000110.3V48 R52 L55V48-D50 VanDerWaalsContact C-N 3.33Å; V48-D50 HydrophobicContact CG1-CB 4.43Å; V48-D50 PolarHBondContact O-N 3.18Å; V48-D50 VanDerWaalsContact O-N 3.12Å; D50-R52 VanDerWaalsContact C-N 3.25Å; D50-R52 PolarHBondContact O-N 2.88Å; D50-R52 PolarHBondContact OD1-N 2.92Å; D50-L55 WeakPolarHBondContact OD2-CD1 3.43Å
51N59.7Low67.1Low159 Ų159108.7 Ų108.785%0.8556%0.563SS**  trans-76.3-3.7-176.1-84.3-16.6000113.9T53N51-T53 PolarHBondContact O-N 2.77Å
52R64.8Low68Low174 Ų174106.9 Ų106.966%0.65756%0.555SS**  trans-83.7112.2179-61.1178.990.2157.58.3110.5D50 S54 L55 R56D50-R52 VanDerWaalsContact C-N 3.25Å; D50-R52 PolarHBondContact O-N 2.88Å; D50-R52 PolarHBondContact OD1-N 2.92Å; R52-S54 VanDerWaalsContact C-N 3.34Å; R52-S54 PolarHBondContact O-N 3.44Å; R52-L55 HydrophobicContact CB-CB 4.26Å; R52-L55 HydrophobicContact CB-CD1 3.96Å; R52-L55 HydrophobicContact CB-CG 4.42Å; R52-L55 PolarHBondContact O-N 3.32Å; R52-R56 WeakPolarHBondContact O-CB 2.98Å; R52-R56 PolarHBondContact O-N 3.26Å
53T69.1Low69.5Low121 Ų121103.8 Ų103.874%0.74253%0.527SS*.Hα-helixtrans-55.4-38.8-171.634.50000114.9N51 R57N51-T53 PolarHBondContact O-N 2.77Å; T53-R57 PolarHBondContact O-N 2.95Å
54S69.5Low70.8Confident75 Ų7599.6 Ų99.652%0.52452%0.516SS..Hα-helixtrans-69.6-44.8178.558.50000112.2R52 R56 R57 H58R52-S54 VanDerWaalsContact C-N 3.34Å; R52-S54 PolarHBondContact O-N 3.44Å; S54-R56 VanDerWaalsContact C-N 3.34Å; S54-R57 PolarHBondContact O-N 2.75Å; S54-H58 PolarHBondContact O-N 3.41Å; S54-H58 VanDerWaalsContact O-N 3.11Å; S54-H58 PolarHBondContact O-ND1 3.17Å
55L75.5Confident72.6Confident85 Ų8599.3 Ų99.345%0.44552%0.515SS..Hα-helixtrans-64.2-41.4175.4-71.5169.3000110.7D50 R52 R57 H58 W59D50-L55 WeakPolarHBondContact OD2-CD1 3.43Å; R52-L55 HydrophobicContact CB-CB 4.26Å; R52-L55 HydrophobicContact CB-CD1 3.96Å; R52-L55 HydrophobicContact CB-CG 4.42Å; R52-L55 PolarHBondContact O-N 3.32Å; L55-R57 VanDerWaalsContact C-N 3.3Å; L55-R57 PolarHBondContact O-N 3.38Å; L55-H58 PolarHBondContact O-N 3.46Å; L55-W59 WeakPolarHBondContact O-CB 3.45Å; L55-W59 PolarHBondContact O-N 2.77Å
56R78.1Confident74.4Confident134 Ų13494.7 Ų94.751%0.50649%0.485SS..Hα-helixtrans-58.4-39.5173.8-171.5177.2-177-134.25.6112.5R52 S54 K60R52-R56 WeakPolarHBondContact O-CB 2.98Å; R52-R56 PolarHBondContact O-N 3.26Å; S54-R56 VanDerWaalsContact C-N 3.34Å; R56-K60 HydrophobicContact CG-CD 4.28Å; R56-K60 VanDerWaalsContact O-CB 3.28Å; R56-K60 WeakPolarHBondContact O-CB 3.44Å; R56-K60 WeakPolarHBondContact O-CG 3.41Å; R56-K60 PolarHBondContact O-N 3.35Å
57R82.6Confident76.1Confident196 Ų19695.2 Ų95.274%0.7448%0.484SS*.Hα-helixtrans-68.2-48.5177.8-163.1178.5-159.2160.74.8111.4T53 S54 L55 W59 K60 T61T53-R57 PolarHBondContact O-N 2.95Å; S54-R57 PolarHBondContact O-N 2.75Å; L55-R57 VanDerWaalsContact C-N 3.3Å; L55-R57 PolarHBondContact O-N 3.38Å; R57-W59 PolarHBondContact O-N 3.37Å; R57-K60 PolarHBondContact O-N 3.06Å; R57-T61 PolarHBondContact O-N 3.14Å; R57-T61 PolarHBondContact O-OG1 3.24Å
58H83.1Confident77.9Confident137 Ų13796.6 Ų96.663%0.63448%0.478SS*.Hα-helixtrans-61.9-43.3177.7-70.995000112S54 L55 T61 A62S54-H58 PolarHBondContact O-N 3.41Å; S54-H58 VanDerWaalsContact O-N 3.11Å; S54-H58 PolarHBondContact O-ND1 3.17Å; L55-H58 PolarHBondContact O-N 3.46Å; H58-T61 PolarHBondContact O-N 3.15Å; H58-A62 PolarHBondContact O-N 2.93Å
59W83.7Confident79.7Confident70 Ų7094.7 Ų94.727%0.26546%0.462SS..Hα-helixtrans-59.8-51.8174.6-179.1-109.6000111.3T3 E7 V48 L55 R57 T61 A62 Q63T3-W59 HydrophobicContact CG2-CE3 4.2Å; T3-W59 HydrophobicContact CG2-CZ3 3.66Å; E7-W59 VanDerWaalsContact OE1-CH2 3.31Å; E7-W59 WeakPolarHBondContact OE1-CH2 3.31Å; V48-W59 HydrophobicContact CG2-CZ2 4.45Å; L55-W59 WeakPolarHBondContact O-CB 3.45Å; L55-W59 PolarHBondContact O-N 2.77Å; R57-W59 PolarHBondContact O-N 3.37Å; W59-T61 VanDerWaalsContact C-N 3.27Å; W59-T61 PolarHBondContact O-N 3.17Å; W59-A62 WeakPolarHBondContact O-CB 3.49Å; W59-A62 PolarHBondContact O-N 3.35Å; W59-A62 VanDerWaalsContact O-N 3.07Å; W59-Q63 HydrophobicContact CD2-CG 4.08Å; W59-Q63 HydrophobicContact CG-CG 4.26Å; W59-Q63 HydrophobicContact CZ2-CG 4.14Å; W59-Q63 WeakPolarHBondContact O-CB 3.44Å; W59-Q63 VanDerWaalsContact O-CG 3.28Å; W59-Q63 WeakPolarHBondContact O-CG 3.43Å; W59-Q63 PolarHBondContact O-N 3.32Å
60K85.7Confident81.5Confident107 Ų10789.3 Ų89.347%0.46543%0.429SS..Hα-helixtrans-56.3-40.9176.3-78.3178.5176.9-169.30112.6R56 R57 S64R56-K60 HydrophobicContact CG-CD 4.28Å; R56-K60 VanDerWaalsContact O-CB 3.28Å; R56-K60 WeakPolarHBondContact O-CB 3.44Å; R56-K60 WeakPolarHBondContact O-CG 3.41Å; R56-K60 PolarHBondContact O-N 3.35Å; R57-K60 PolarHBondContact O-N 3.06Å; K60-S64 WeakPolarHBondContact O-CB 3.48Å; K60-S64 PolarHBondContact O-N 3.1Å
61T88.8Confident83.2Confident80 Ų8093.3 Ų93.349%0.49144%0.443SS..Hα-helixtrans-63.5-46.9175.3-59.50000111R57 H58 W59 S64 I65R57-T61 PolarHBondContact O-N 3.14Å; R57-T61 PolarHBondContact O-OG1 3.24Å; H58-T61 PolarHBondContact O-N 3.15Å; W59-T61 VanDerWaalsContact C-N 3.27Å; W59-T61 PolarHBondContact O-N 3.17Å; T61-S64 WeakPolarHBondContact O-CB 3.17Å; T61-S64 PolarHBondContact O-N 3.19Å; T61-I65 HydrophobicContact CG2-CD1 4.14Å; T61-I65 WeakPolarHBondContact O-CG1 3.38Å; T61-I65 PolarHBondContact O-N 3.38Å
62A89.5Confident84.6Confident12 Ų1291.3 Ų91.310%0.09942%0.423CS..Hα-helixtrans-58.5-49.8176.200000111.4V4 H58 W59 S64 I65 V66V4-A62 HydrophobicContact CG2-CB 3.68Å; H58-A62 PolarHBondContact O-N 2.93Å; W59-A62 WeakPolarHBondContact O-CB 3.49Å; W59-A62 PolarHBondContact O-N 3.35Å; W59-A62 VanDerWaalsContact O-N 3.07Å; A62-S64 VanDerWaalsContact C-N 3.29Å; A62-S64 PolarHBondContact O-N 3.21Å; A62-I65 WeakPolarHBondContact O-CB 3.47Å; A62-I65 PolarHBondContact O-N 3.38Å; A62-I65 VanDerWaalsContact O-N 3.07Å; A62-V66 WeakPolarHBondContact O-CG2 3.32Å; A62-V66 PolarHBondContact O-N 3.15Å
63Q89.6Confident85.8Confident12 Ų1285.3 Ų85.36%0.05640%0.401CS..Hα-helixtrans-58.7-38.6177.7-67.9-51.5-45.500112.7E7 S46 W59 N67E7-Q63 PolarHBondContact OE1-NE2 3.24Å; E7-Q63 PolarHBondContact OE2-NE2 3.17Å; S46-Q63 PolarHBondContact OG-OE1 3.03Å; S46-Q63 VanDerWaalsContact OG-OE1 3.09Å; W59-Q63 HydrophobicContact CD2-CG 4.08Å; W59-Q63 HydrophobicContact CG-CG 4.26Å; W59-Q63 HydrophobicContact CZ2-CG 4.14Å; W59-Q63 WeakPolarHBondContact O-CB 3.44Å; W59-Q63 VanDerWaalsContact O-CG 3.28Å; W59-Q63 WeakPolarHBondContact O-CG 3.43Å; W59-Q63 PolarHBondContact O-N 3.32Å; Q63-N67 VanDerWaalsContact O-CB 3.27Å; Q63-N67 WeakPolarHBondContact O-CB 3.35Å; Q63-N67 PolarHBondContact O-N 3.11Å; Q63-N67 PolarHBondContact O-ND2 3.38Å; Q63-N67 VanDerWaalsContact O-ND2 3.12Å
64S90.4Very high86.6Confident78 Ų7880.3 Ų80.355%0.54537%0.369SS..Hα-helixtrans-63.4-43.9174.7-176.50000112.1K60 T61 A62 N67 R68K60-S64 WeakPolarHBondContact O-CB 3.48Å; K60-S64 PolarHBondContact O-N 3.1Å; T61-S64 WeakPolarHBondContact O-CB 3.17Å; T61-S64 PolarHBondContact O-N 3.19Å; A62-S64 VanDerWaalsContact C-N 3.29Å; A62-S64 PolarHBondContact O-N 3.21Å; S64-N67 PolarHBondContact O-N 3.4Å; S64-R68 WeakPolarHBondContact O-CB 3.44Å; S64-R68 PolarHBondContact O-N 3.39Å
65I92.2Very high87.3Confident74 Ų7485 Ų8538%0.37938%0.375SS..Hα-helixtrans-63-48.1177.3-64.4163.8000110.4V4 T61 A62 N67 R68 F69V4-I65 HydrophobicContact CG1-CB 4.28Å; V4-I65 HydrophobicContact CG1-CG2 3.6Å; V4-I65 HydrophobicContact CG2-CB 4.37Å; V4-I65 HydrophobicContact CG2-CD1 4.27Å; V4-I65 HydrophobicContact CG2-CG2 4.48Å; T61-I65 HydrophobicContact CG2-CD1 4.14Å; T61-I65 WeakPolarHBondContact O-CG1 3.38Å; T61-I65 PolarHBondContact O-N 3.38Å; A62-I65 WeakPolarHBondContact O-CB 3.47Å; A62-I65 PolarHBondContact O-N 3.38Å; A62-I65 VanDerWaalsContact O-N 3.07Å; I65-N67 PolarHBondContact O-N 3.22Å; I65-R68 PolarHBondContact O-N 2.69Å; I65-F69 PolarHBondContact O-N 3.36Å
66V91.4Very high87.9Confident0 Ų084.7 Ų84.70%037%0.372CS..Hα-helixtrans-64.6-40.6-179.6-178.90000111V4 E7 V8 L11 A62 R68 F69 W70V4-V66 HydrophobicContact CB-CG2 4.33Å; V4-V66 HydrophobicContact CG1-CG2 3.98Å; V4-V66 HydrophobicContact CG2-CG2 4.42Å; E7-V66 HydrophobicContact CB-CG1 3.96Å; E7-V66 HydrophobicContact CB-CG2 3.85Å; E7-V66 WeakPolarHBondContact OE2-CG2 3.3Å; V8-V66 HydrophobicContact CG2-CG2 4.46Å; L11-V66 HydrophobicContact CD1-CG1 3.57Å; A62-V66 WeakPolarHBondContact O-CG2 3.32Å; A62-V66 PolarHBondContact O-N 3.15Å; V66-R68 VanDerWaalsContact C-N 3.35Å; V66-R68 PolarHBondContact O-N 3.07Å; V66-F69 WeakPolarHBondContact O-CB 3.5Å; V66-F69 PolarHBondContact O-N 3.06Å; V66-W70 WeakPolarHBondContact O-CB 2.96Å; V66-W70 PolarHBondContact O-N 3.43Å
67N90Very high88.2Confident63 Ų6382.6 Ų82.634%0.33737%0.365SS..Hα-helixtrans-61.2-41.7173.4-79.4-29.3000112.7Q63 S64 I65 W70 K71 R109Q63-N67 VanDerWaalsContact O-CB 3.27Å; Q63-N67 WeakPolarHBondContact O-CB 3.35Å; Q63-N67 PolarHBondContact O-N 3.11Å; Q63-N67 PolarHBondContact O-ND2 3.38Å; Q63-N67 VanDerWaalsContact O-ND2 3.12Å; S64-N67 PolarHBondContact O-N 3.4Å; I65-N67 PolarHBondContact O-N 3.22Å; N67-W70 PolarHBondContact O-N 3.48Å; N67-K71 WeakPolarHBondContact O-CG 3.35Å; N67-K71 PolarHBondContact O-N 3.06Å; N67-K71 VanDerWaalsContact O-N 3.09Å; N67-R109 VanDerWaalsContact CG-NH1 3.33Å; N67-R109 WeakPolarHBondContact OD1-CD 3.09Å; N67-R109 PolarHBondContact OD1-NH1 3.07Å
68R92Very high88.1Confident171 Ų17173.4 Ų73.465%0.64533%0.33SS*.Hα-helixtrans-66.2-42.6176.6-174.3178.4-178.6-173.90111S64 I65 V66 R72S64-R68 WeakPolarHBondContact O-CB 3.44Å; S64-R68 PolarHBondContact O-N 3.39Å; I65-R68 PolarHBondContact O-N 2.69Å; V66-R68 VanDerWaalsContact C-N 3.35Å; V66-R68 PolarHBondContact O-N 3.07Å; R68-R72 WeakPolarHBondContact O-CB 3.17Å; R68-R72 WeakPolarHBondContact O-CG 3.48Å; R68-R72 PolarHBondContact O-N 3.15Å; R68-R72 VanDerWaalsContact O-N 3.07Å
69F92.5Very high87.8Confident56 Ų5669 Ų6925%0.24631%0.314CS..Hα-helixtrans-56-54.9173.5172-92.5000110.4V8 L11 L12 I65 V66 K71 R72 W73V8-F69 HydrophobicContact CB-CD1 4.37Å; V8-F69 HydrophobicContact CB-CE1 4.33Å; V8-F69 HydrophobicContact CG1-CD1 4.02Å; V8-F69 HydrophobicContact CG1-CD2 4.29Å; V8-F69 HydrophobicContact CG1-CE1 3.58Å; V8-F69 HydrophobicContact CG1-CE2 3.87Å; V8-F69 HydrophobicContact CG1-CG 4.36Å; V8-F69 HydrophobicContact CG1-CZ 3.5Å; V8-F69 HydrophobicContact CG2-CB 4.25Å; V8-F69 HydrophobicContact CG2-CD1 3.74Å; V8-F69 HydrophobicContact CG2-CD2 4.3Å; V8-F69 HydrophobicContact CG2-CE1 4.19Å; V8-F69 HydrophobicContact CG2-CG 3.82Å; L11-F69 HydrophobicContact CD1-CD1 4.4Å; L12-F69 HydrophobicContact CD1-CZ 4.3Å; L12-F69 HydrophobicContact CD2-CE1 4.27Å; L12-F69 HydrophobicContact CD2-CZ 4.06Å; L12-F69 HydrophobicContact CG-CE1 4.44Å; L12-F69 HydrophobicContact CG-CZ 4.3Å; I65-F69 PolarHBondContact O-N 3.36Å; V66-F69 WeakPolarHBondContact O-CB 3.5Å; V66-F69 PolarHBondContact O-N 3.06Å; F69-K71 PolarHBondContact O-N 3.39Å; F69-R72 PolarHBondContact O-N 3.16Å; F69-W73 HydrophobicContact CE1-CB 4.23Å; F69-W73 HydrophobicContact CE1-CD2 4.47Å; F69-W73 HydrophobicContact CE1-CG 4.37Å; F69-W73 AromaticContact CE2-CE3 3.95Å; F69-W73 HydrophobicContact CE2-CE3 3.95Å; F69-W73 HydrophobicContact CZ-CB 4.31Å; F69-W73 AromaticContact CZ-CD2 3.97Å; F69-W73 HydrophobicContact CZ-CD2 3.97Å; F69-W73 AromaticContact CZ-CE3 3.62Å; F69-W73 HydrophobicContact CZ-CE3 3.62Å; F69-W73 HydrophobicContact CZ-CG 4.28Å; F69-W73 HydrophobicContact CZ-CZ3 4.24Å; F69-W73 VanDerWaalsContact O-CB 3.29Å; F69-W73 WeakPolarHBondContact O-CB 3.36Å; F69-W73 PolarHBondContact O-N 2.89Å
70W89.8Confident87.5Confident7 Ų769.1 Ų69.13%0.02732%0.322CS..Hα-helixtrans-54.9-49.8-178.6178.5-108.7000113L11 V66 N67 R72 W73 L74 K108 R109 E111 W112L11-W70 HydrophobicContact CB-CE3 4.09Å; L11-W70 HydrophobicContact CB-CZ3 4.15Å; L11-W70 HydrophobicContact CD1-CB 4.26Å; L11-W70 HydrophobicContact CD1-CE3 4.02Å; L11-W70 HydrophobicContact CD2-CE3 4.05Å; L11-W70 HydrophobicContact CD2-CZ3 4.24Å; L11-W70 HydrophobicContact CG-CE3 4.28Å; V66-W70 WeakPolarHBondContact O-CB 2.96Å; V66-W70 PolarHBondContact O-N 3.43Å; N67-W70 PolarHBondContact O-N 3.48Å; W70-R72 PolarHBondContact O-N 2.88Å; W70-W73 PolarHBondContact O-N 3.24Å; W70-L74 HydrophobicContact CD2-CD1 4.22Å; W70-L74 HydrophobicContact CD2-CG 4.29Å; W70-L74 VanDerWaalsContact CE2-CD1 3.43Å; W70-L74 HydrophobicContact CH2-CD1 4.47Å; W70-L74 HydrophobicContact CH2-CD2 4.21Å; W70-L74 HydrophobicContact CH2-CG 4.41Å; W70-L74 HydrophobicContact CZ2-CD1 3.6Å; W70-L74 HydrophobicContact CZ2-CD2 4.1Å; W70-L74 HydrophobicContact CZ2-CG 3.99Å; W70-L74 VanDerWaalsContact NE1-CD1 3.33Å; W70-L74 PolarHBondContact O-N 3.27Å; W70-K108 PolarHBondContact NE1-O 3.37Å; W70-R109 HydrophobicContact CB-CG 4.01Å; W70-R109 HydrophobicContact CD2-CG 4.3Å; W70-R109 HydrophobicContact CG-CB 4.28Å; W70-R109 HydrophobicContact CG-CG 3.86Å; W70-E111 WeakPolarHBondContact CZ2-O 3.4Å; W70-W112 AromaticContact CH2-CD2 3.73Å; W70-W112 HydrophobicContact CH2-CD2 3.73Å; W70-W112 AromaticContact CH2-CE2 3.45Å; W70-W112 VanDerWaalsContact CH2-CE2 3.45Å; W70-W112 HydrophobicContact CH2-CE3 4.09Å; W70-W112 HydrophobicContact CH2-CG 4.28Å; W70-W112 HydrophobicContact CH2-CH2 4.03Å; W70-W112 AromaticContact CH2-CZ2 3.65Å; W70-W112 HydrophobicContact CH2-CZ2 3.65Å; W70-W112 HydrophobicContact CH2-CZ3 4.23Å; W70-W112 AromaticContact CH2-NE1 3.79Å; W70-W112 HydrophobicContact CZ3-CD2 4.4Å; W70-W112 AromaticContact CZ3-CE2 3.7Å; W70-W112 AromaticContact CZ3-CH2 3.91Å; W70-W112 HydrophobicContact CZ3-CH2 3.91Å; W70-W112 AromaticContact CZ3-CZ2 3.45Å; W70-W112 HydrophobicContact CZ3-CZ2 3.45Å; W70-W112 VanDerWaalsContact CZ3-CZ2 3.45Å
71K88.7Confident86.7Confident148 Ų14868 Ų6864%0.64332%0.321SS*.Hα-helixtrans-61.3-42.8179.4-73.3-179.7178.6-174.90112.4N67 F69 R75N67-K71 WeakPolarHBondContact O-CG 3.35Å; N67-K71 PolarHBondContact O-N 3.06Å; N67-K71 VanDerWaalsContact O-N 3.09Å; F69-K71 PolarHBondContact O-N 3.39Å; K71-R75 VanDerWaalsContact O-CB 3.28Å; K71-R75 WeakPolarHBondContact O-CB 3.4Å; K71-R75 PolarHBondContact O-N 3.01Å
72R90.7Very high85.7Confident118 Ų11865.9 Ų65.945%0.44531%0.306SS..Hα-helixtrans-69.4-43177.8-72.4-171.866.8-161-5111.3R68 F69 W70 R75 E76R68-R72 WeakPolarHBondContact O-CB 3.17Å; R68-R72 WeakPolarHBondContact O-CG 3.48Å; R68-R72 PolarHBondContact O-N 3.15Å; R68-R72 VanDerWaalsContact O-N 3.07Å; F69-R72 PolarHBondContact O-N 3.16Å; W70-R72 PolarHBondContact O-N 2.88Å; R72-R75 PolarHBondContact O-N 3.09Å; R72-E76 WeakPolarHBondContact CG-OE1 3.44Å; R72-E76 IonicContact CZ-OE1 3.95Å; R72-E76 IonicContact CZ-OE2 3.42Å; R72-E76 IonicContact NE-OE1 3.06Å; R72-E76 PolarHBondContact NE-OE1 3.12Å; R72-E76 IonicContact NE-OE2 3.18Å; R72-E76 PolarHBondContact NE-OE2 3.22Å; R72-E76 IonicContact NH2-OE1 3.91Å; R72-E76 IonicContact NH2-OE2 2.8Å; R72-E76 PolarHBondContact NH2-OE2 3.36Å; R72-E76 WeakPolarHBondContact O-CA 3.03Å; R72-E76 WeakPolarHBondContact O-CB 3.11Å; R72-E76 WeakPolarHBondContact O-CG 3.31Å; R72-E76 PolarHBondContact O-N 2.8Å
73W89.7Confident84.3Confident48 Ų4874.8 Ų74.818%0.18234%0.337CS..Iπ-helixtrans-57.4-52.1178.2-176.2-92.8000111.8L12 F69 W70 R75 Y77 L78 W112L12-W73 HydrophobicContact CD2-CD2 3.89Å; L12-W73 HydrophobicContact CD2-CE3 4.3Å; L12-W73 HydrophobicContact CD2-CH2 3.77Å; L12-W73 HydrophobicContact CD2-CZ2 3.26Å; L12-W73 HydrophobicContact CD2-CZ3 4.25Å; F69-W73 HydrophobicContact CE1-CB 4.23Å; F69-W73 HydrophobicContact CE1-CD2 4.47Å; F69-W73 HydrophobicContact CE1-CG 4.37Å; F69-W73 AromaticContact CE2-CE3 3.95Å; F69-W73 HydrophobicContact CE2-CE3 3.95Å; F69-W73 HydrophobicContact CZ-CB 4.31Å; F69-W73 AromaticContact CZ-CD2 3.97Å; F69-W73 HydrophobicContact CZ-CD2 3.97Å; F69-W73 AromaticContact CZ-CE3 3.62Å; F69-W73 HydrophobicContact CZ-CE3 3.62Å; F69-W73 HydrophobicContact CZ-CG 4.28Å; F69-W73 HydrophobicContact CZ-CZ3 4.24Å; F69-W73 VanDerWaalsContact O-CB 3.29Å; F69-W73 WeakPolarHBondContact O-CB 3.36Å; F69-W73 PolarHBondContact O-N 2.89Å; W70-W73 PolarHBondContact O-N 3.24Å; W73-R75 VanDerWaalsContact C-N 3.31Å; W73-R75 PolarHBondContact O-N 3.03Å; W73-Y77 AromaticContact CD2-CD1 3.9Å; W73-Y77 HydrophobicContact CD2-CD1 3.9Å; W73-Y77 HydrophobicContact CD2-CG 4.19Å; W73-Y77 AromaticContact CE2-CD1 3.33Å; W73-Y77 AromaticContact CE2-CE1 3.87Å; W73-Y77 HydrophobicContact CE3-CD1 4.18Å; W73-Y77 HydrophobicContact CE3-CG 4.13Å; W73-Y77 AromaticContact CH2-CD1 3.46Å; W73-Y77 HydrophobicContact CH2-CD1 3.46Å; W73-Y77 VanDerWaalsContact CH2-CD1 3.46Å; W73-Y77 HydrophobicContact CH2-CD2 4.34Å; W73-Y77 AromaticContact CH2-CE1 3.4Å; W73-Y77 HydrophobicContact CH2-CE1 3.4Å; W73-Y77 VanDerWaalsContact CH2-CE1 3.4Å; W73-Y77 HydrophobicContact CH2-CE2 4.31Å; W73-Y77 AromaticContact CH2-CG 3.92Å; W73-Y77 HydrophobicContact CH2-CG 3.92Å; W73-Y77 AromaticContact CH2-CZ 3.84Å; W73-Y77 AromaticContact CZ2-CD1 3.12Å; W73-Y77 HydrophobicContact CZ2-CD1 3.12Å; W73-Y77 AromaticContact CZ2-CE1 3.15Å; W73-Y77 HydrophobicContact CZ2-CE1 3.15Å; W73-Y77 AromaticContact CZ2-CG 3.98Å; W73-Y77 HydrophobicContact CZ2-CG 3.98Å; W73-Y77 AromaticContact CZ3-CD1 3.98Å; W73-Y77 HydrophobicContact CZ3-CD1 3.98Å; W73-Y77 HydrophobicContact CZ3-CD2 4.39Å; W73-Y77 HydrophobicContact CZ3-CE1 4.29Å; W73-Y77 AromaticContact CZ3-CG 4Å; W73-Y77 HydrophobicContact CZ3-CG 4Å; W73-Y77 AromaticContact NE1-CD1 3.89Å; W73-Y77 WeakPolarHBondContact O-CA 3.18Å; W73-Y77 WeakPolarHBondContact O-CB 3.25Å; W73-Y77 PolarHBondContact O-N 3.12Å; W73-L78 PolarHBondContact O-N 3Å; W73-W112 AromaticContact NE1-CH2 3.81Å
74L85.3Confident82.7Confident16 Ų1678.3 Ų78.38%0.08435%0.349CS..Iπ-helixtrans-60.6-38.5177.5-76.3-177.9000112.9W70 L78 P79 V103 W112W70-L74 HydrophobicContact CD2-CD1 4.22Å; W70-L74 HydrophobicContact CD2-CG 4.29Å; W70-L74 VanDerWaalsContact CE2-CD1 3.43Å; W70-L74 HydrophobicContact CH2-CD1 4.47Å; W70-L74 HydrophobicContact CH2-CD2 4.21Å; W70-L74 HydrophobicContact CH2-CG 4.41Å; W70-L74 HydrophobicContact CZ2-CD1 3.6Å; W70-L74 HydrophobicContact CZ2-CD2 4.1Å; W70-L74 HydrophobicContact CZ2-CG 3.99Å; W70-L74 VanDerWaalsContact NE1-CD1 3.33Å; W70-L74 PolarHBondContact O-N 3.27Å; L74-L78 HydrophobicContact CD2-CD2 3.69Å; L74-L78 VanDerWaalsContact O-CB 3.27Å; L74-L78 WeakPolarHBondContact O-CB 3.22Å; L74-P79 WeakPolarHBondContact O-CD 3.17Å; L74-V103 WeakPolarHBondContact O-CG1 3.38Å; L74-W112 HydrophobicContact CD2-CE3 4.28Å; L74-W112 HydrophobicContact CD2-CH2 4.46Å; L74-W112 HydrophobicContact CD2-CZ3 3.83Å
75R84.5Confident80.9Confident172 Ų17280.2 Ų80.265%0.64935%0.353SS*.Iπ-helixtrans-81.7-39.4-175.9-177-177.265.6175.21.5113.6K71 R72 W73 P79K71-R75 VanDerWaalsContact O-CB 3.28Å; K71-R75 WeakPolarHBondContact O-CB 3.4Å; K71-R75 PolarHBondContact O-N 3.01Å; R72-R75 PolarHBondContact O-N 3.09Å; W73-R75 VanDerWaalsContact C-N 3.31Å; W73-R75 PolarHBondContact O-N 3.03Å; R75-P79 WeakPolarHBondContact O-CG 3.19Å
76E87.6Confident78.5Confident79 Ų7984.8 Ų84.837%0.36937%0.371SS..Iπ-helixtrans-102.9-40.2-167.6-63167.3-148.200111.7R72 T80R72-E76 WeakPolarHBondContact CG-OE1 3.44Å; R72-E76 IonicContact CZ-OE1 3.95Å; R72-E76 IonicContact CZ-OE2 3.42Å; R72-E76 IonicContact NE-OE1 3.06Å; R72-E76 PolarHBondContact NE-OE1 3.12Å; R72-E76 IonicContact NE-OE2 3.18Å; R72-E76 PolarHBondContact NE-OE2 3.22Å; R72-E76 IonicContact NH2-OE1 3.91Å; R72-E76 IonicContact NH2-OE2 2.8Å; R72-E76 PolarHBondContact NH2-OE2 3.36Å; R72-E76 WeakPolarHBondContact O-CA 3.03Å; R72-E76 WeakPolarHBondContact O-CB 3.11Å; R72-E76 WeakPolarHBondContact O-CG 3.31Å; R72-E76 PolarHBondContact O-N 2.8Å; E76-T80 VanDerWaalsContact O-CG2 3.31Å; E76-T80 WeakPolarHBondContact O-CG2 3.39Å
77Y85.2Confident76.7Confident91 Ų9195.5 Ų95.536%0.35741%0.411SS..Iπ-helixtrans-94.4-42.7-175.5-177.9-101000112.6W73 T80 L81W73-Y77 AromaticContact CD2-CD1 3.9Å; W73-Y77 HydrophobicContact CD2-CD1 3.9Å; W73-Y77 HydrophobicContact CD2-CG 4.19Å; W73-Y77 AromaticContact CE2-CD1 3.33Å; W73-Y77 AromaticContact CE2-CE1 3.87Å; W73-Y77 HydrophobicContact CE3-CD1 4.18Å; W73-Y77 HydrophobicContact CE3-CG 4.13Å; W73-Y77 AromaticContact CH2-CD1 3.46Å; W73-Y77 HydrophobicContact CH2-CD1 3.46Å; W73-Y77 VanDerWaalsContact CH2-CD1 3.46Å; W73-Y77 HydrophobicContact CH2-CD2 4.34Å; W73-Y77 AromaticContact CH2-CE1 3.4Å; W73-Y77 HydrophobicContact CH2-CE1 3.4Å; W73-Y77 VanDerWaalsContact CH2-CE1 3.4Å; W73-Y77 HydrophobicContact CH2-CE2 4.31Å; W73-Y77 AromaticContact CH2-CG 3.92Å; W73-Y77 HydrophobicContact CH2-CG 3.92Å; W73-Y77 AromaticContact CH2-CZ 3.84Å; W73-Y77 AromaticContact CZ2-CD1 3.12Å; W73-Y77 HydrophobicContact CZ2-CD1 3.12Å; W73-Y77 AromaticContact CZ2-CE1 3.15Å; W73-Y77 HydrophobicContact CZ2-CE1 3.15Å; W73-Y77 AromaticContact CZ2-CG 3.98Å; W73-Y77 HydrophobicContact CZ2-CG 3.98Å; W73-Y77 AromaticContact CZ3-CD1 3.98Å; W73-Y77 HydrophobicContact CZ3-CD1 3.98Å; W73-Y77 HydrophobicContact CZ3-CD2 4.39Å; W73-Y77 HydrophobicContact CZ3-CE1 4.29Å; W73-Y77 AromaticContact CZ3-CG 4Å; W73-Y77 HydrophobicContact CZ3-CG 4Å; W73-Y77 AromaticContact NE1-CD1 3.89Å; W73-Y77 WeakPolarHBondContact O-CA 3.18Å; W73-Y77 WeakPolarHBondContact O-CB 3.25Å; W73-Y77 PolarHBondContact O-N 3.12Å; Y77-T80 WeakPolarHBondContact O-CA 3.46Å; Y77-T80 WeakPolarHBondContact O-CB 3.32Å; Y77-T80 PolarHBondContact O-N 3.09Å; Y77-T80 PolarHBondContact O-OG1 3.44Å; Y77-L81 HydrophobicContact CD1-CD1 4.21Å; Y77-L81 HydrophobicContact CD1-CG 4.19Å; Y77-L81 HydrophobicContact CE1-CD1 3.76Å; Y77-L81 HydrophobicContact CE1-CD2 3.68Å; Y77-L81 HydrophobicContact CE1-CG 3.76Å; Y77-L81 PolarHBondContact O-N 3.34Å
78L79.5Confident74.8Confident2 Ų2103.6 Ų103.61%0.0144%0.437CS..Hα-helixtrans-57.1-42.4-176.4-15370.8000113.4W73 L74 T80 L81 L101 V103 W112W73-L78 PolarHBondContact O-N 3Å; L74-L78 HydrophobicContact CD2-CD2 3.69Å; L74-L78 VanDerWaalsContact O-CB 3.27Å; L74-L78 WeakPolarHBondContact O-CB 3.22Å; L78-T80 PolarHBondContact O-N 3.36Å; L78-L81 HydrophobicContact CD1-CD1 4.06Å; L78-L81 WeakPolarHBondContact O-CB 3.38Å; L78-L81 PolarHBondContact O-N 2.75Å; L78-L81 VanDerWaalsContact O-N 3.1Å; L78-L101 HydrophobicContact CD1-CD2 3.57Å; L78-L101 HydrophobicContact CD2-CD2 3.41Å; L78-L101 VanDerWaalsContact CD2-CD2 3.41Å; L78-L101 HydrophobicContact CD2-CG 4.15Å; L78-L101 HydrophobicContact CG-CD2 3.86Å; L78-V103 HydrophobicContact CB-CG2 4.48Å; L78-V103 HydrophobicContact CD2-CB 4.39Å; L78-V103 HydrophobicContact CD2-CG1 4.49Å; L78-V103 HydrophobicContact CD2-CG2 3.6Å; L78-V103 HydrophobicContact CG-CG2 4.21Å; L78-W112 HydrophobicContact CD1-CH2 4.39Å; L78-W112 HydrophobicContact CD1-CZ3 3.74Å; L78-W112 HydrophobicContact CD2-CZ3 4.4Å
79P77Confident72.9Confident45 Ų45101.2 Ų101.229%0.29244%0.437SS..Hα-helixtrans-65.7-22.2174.6-22.136.4000113.3L74 R75 L81 Q82L74-P79 WeakPolarHBondContact O-CD 3.17Å; R75-P79 WeakPolarHBondContact O-CG 3.19Å; P79-L81 VanDerWaalsContact C-N 3.33Å; P79-Q82 WeakPolarHBondContact O-CB 3.27Å; P79-Q82 PolarHBondContact O-N 3.25Å
80T77.2Confident71.4Confident72 Ų72106.7 Ų106.744%0.44247%0.469SS..Hα-helixtrans-76.3-22.7174.971.90000112.6E76 Y77 L78 Q82 R83E76-T80 VanDerWaalsContact O-CG2 3.31Å; E76-T80 WeakPolarHBondContact O-CG2 3.39Å; Y77-T80 WeakPolarHBondContact O-CA 3.46Å; Y77-T80 WeakPolarHBondContact O-CB 3.32Å; Y77-T80 PolarHBondContact O-N 3.09Å; Y77-T80 PolarHBondContact O-OG1 3.44Å; L78-T80 PolarHBondContact O-N 3.36Å; T80-Q82 PolarHBondContact O-N 3.27Å; T80-R83 WeakPolarHBondContact O-CB 3.28Å; T80-R83 PolarHBondContact O-N 3.05Å
81L70.3Confident70.2Confident83 Ų83109 Ų10944%0.43548%0.484SS..Hα-helixtrans-70.8-23.3169.2-61.6-179.7000111.7Y77 L78 P79 R83Y77-L81 HydrophobicContact CD1-CD1 4.21Å; Y77-L81 HydrophobicContact CD1-CG 4.19Å; Y77-L81 HydrophobicContact CE1-CD1 3.76Å; Y77-L81 HydrophobicContact CE1-CD2 3.68Å; Y77-L81 HydrophobicContact CE1-CG 3.76Å; Y77-L81 PolarHBondContact O-N 3.34Å; L78-L81 HydrophobicContact CD1-CD1 4.06Å; L78-L81 WeakPolarHBondContact O-CB 3.38Å; L78-L81 PolarHBondContact O-N 2.75Å; L78-L81 VanDerWaalsContact O-N 3.1Å; P79-L81 VanDerWaalsContact C-N 3.33Å; L81-R83 PolarHBondContact O-N 2.61Å
82Q66.9Low69.5Low37 Ų37105.4 Ų105.417%0.17348%0.482CS..THydrogen-bonded Turntrans-80.44.7172.4-55.9177.1-13.200112.7P79 T80 R84 T145 L147 A148P79-Q82 WeakPolarHBondContact O-CB 3.27Å; P79-Q82 PolarHBondContact O-N 3.25Å; T80-Q82 PolarHBondContact O-N 3.27Å; Q82-R84 PolarHBondContact O-N 2.96Å; Q82-T145 PolarHBondContact OE1-O 3.06Å; Q82-L147 VanDerWaalsContact CD-C 3.49Å; Q82-L147 PolarHBondContact NE2-O 3.2Å; Q82-A148 HydrophobicContact CG-CB 3.42Å; Q82-A148 VanDerWaalsContact CG-CB 3.42Å
83R59.1Low69.3Low199 Ų199102.4 Ų102.475%0.75148%0.475SS*.  trans-66.491.4-171.5-173.4174.2162.4-178.6-6.7109.6T80 L81 D85T80-R83 WeakPolarHBondContact O-CB 3.28Å; T80-R83 PolarHBondContact O-N 3.05Å; L81-R83 PolarHBondContact O-N 2.61Å; R83-D85 PolarHBondContact O-N 2.86Å
84R56.9Low69.2Low85 Ų85101 Ų10132%0.32147%0.47SS..  trans-38.6118.9154.3-65.3-161.7159.5175.9-9.9108Q82 K86 T91 A92Q82-R84 PolarHBondContact O-N 2.96Å; R84-K86 PolarHBondContact O-N 3.26Å; R84-T91 HydrophobicContact CB-CG2 3.87Å; R84-T91 VanDerWaalsContact CB-OG1 3.25Å; R84-T91 WeakPolarHBondContact CB-OG1 3.47Å; R84-T91 VanDerWaalsContact CD-CB 3.48Å; R84-T91 WeakPolarHBondContact CD-OG1 3.5Å; R84-T91 HydrophobicContact CG-CG2 3.36Å; R84-A92 PolarHBondContact NH2-O 3.26Å
85D52.9Low69.5Low119 Ų119108.4 Ų108.464%0.63650%0.497SS*.  trans-60.384.9175-74.7-44.7000109.5R83 W87R83-D85 PolarHBondContact O-N 2.86Å; D85-W87 PolarHBondContact O-N 3.1Å
86K41.9Very low69.8Low170 Ų170104.8 Ų104.874%0.73949%0.493SS*.THydrogen-bonded Turntrans-59.8134.4171.5-125.4179.3-180-175.10106.2R84R84-K86 PolarHBondContact O-N 3.26Å
87W54.2Low69.9Low225 Ų225101.9 Ų101.985%0.85249%0.485SS*.THydrogen-bonded Turntrans106-16.7169.3-53.198.9000118.1D85D85-W87 PolarHBondContact O-N 3.1Å
88W50.2Low70.1Confident232 Ų23299.3 Ų99.388%0.87948%0.477SS*.THydrogen-bonded Turntrans-136.3-19.5-179.5-58.3102.3000117.3
89N52.1Low70.6Confident121 Ų121100.5 Ų100.565%0.64748%0.482SS*.SBendtrans-134.8134.8-178.3-70.4-38.4000112T91N89-T91 PolarHBondContact O-N 3.3Å; N89-T91 VanDerWaalsContact O-N 3.07Å
90D59.2Low71.2Confident171 Ų17198.3 Ų98.391%0.91447%0.468SS*.  trans-57.3114.4162.4-91.1-19.3000107.8A92D90-A92 PolarHBondContact O-N 2.95Å
91T64.7Low71.9Confident56 Ų5695.1 Ų95.134%0.34445%0.449SS..PPolyproline II helixtrans-71.4129.3179.5-40.40000108.9R84 N89 N93R84-T91 HydrophobicContact CB-CG2 3.87Å; R84-T91 VanDerWaalsContact CB-OG1 3.25Å; R84-T91 WeakPolarHBondContact CB-OG1 3.47Å; R84-T91 VanDerWaalsContact CD-CB 3.48Å; R84-T91 WeakPolarHBondContact CD-OG1 3.5Å; R84-T91 HydrophobicContact CG-CG2 3.36Å; N89-T91 PolarHBondContact O-N 3.3Å; N89-T91 VanDerWaalsContact O-N 3.07Å; T91-N93 PolarHBondContact O-N 3.04Å
92A74.8Confident72.8Confident73 Ų7391.6 Ų91.660%0.60343%0.43SS*.PPolyproline II helixtrans-48.2126.5174.400000110.6R84 D90R84-A92 PolarHBondContact NH2-O 3.26Å; D90-A92 PolarHBondContact O-N 2.95Å
93N85.4Confident73.9Confident55 Ų5590.5 Ų90.529%0.29443%0.426SS..PPolyproline II helixtrans-63.4145.1168.4-88.1-28000109.4T91 G126 I128T91-N93 PolarHBondContact O-N 3.04Å; N93-G126 PolarHBondContact ND2-O 3.18Å; N93-I128 HydrophobicContact CB-CB 4.33Å; N93-I128 HydrophobicContact CB-CD1 3.6Å; N93-I128 HydrophobicContact CB-CG1 3.98Å; N93-I128 PolarHBondContact OD1-N 2.88Å; N93-I128 VanDerWaalsContact OD1-N 3.1Å
94F88.6Confident75.1Confident18 Ų1882.1 Ų82.18%0.07940%0.395CS..PPolyproline II helixtrans-57.2144.6170.4-79.6-84.4000109.9D98 V100 V117 V120 I128 V144 L147 L149F94-D98 WeakPolarHBondContact CA-OD2 3.41Å; F94-D98 HydrophobicContact CD1-CB 4.39Å; F94-V100 HydrophobicContact CD1-CG1 3.82Å; F94-V100 HydrophobicContact CE1-CG1 3.45Å; F94-V100 VanDerWaalsContact CE1-CG1 3.45Å; F94-V117 HydrophobicContact CD1-CG2 4.26Å; F94-V120 WeakPolarHBondContact O-CG1 3.47Å; F94-I128 WeakPolarHBondContact O-CD1 3.29Å; F94-V144 HydrophobicContact CD2-CB 4.29Å; F94-V144 HydrophobicContact CD2-CG1 3.6Å; F94-V144 HydrophobicContact CD2-CG2 3.79Å; F94-V144 HydrophobicContact CE2-CB 4.39Å; F94-V144 HydrophobicContact CE2-CG1 3.44Å; F94-V144 VanDerWaalsContact CE2-CG1 3.44Å; F94-V144 HydrophobicContact CE2-CG2 4.36Å; F94-L147 HydrophobicContact CE1-CB 4.3Å; F94-L147 HydrophobicContact CE2-CB 4.45Å; F94-L147 HydrophobicContact CZ-CB 4.01Å; F94-L147 VanDerWaalsContact CZ-O 3.32Å; F94-L147 WeakPolarHBondContact CZ-O 3.4Å; F94-L149 HydrophobicContact CD1-CD1 4.39Å; F94-L149 HydrophobicContact CE1-CB 4.13Å; F94-L149 HydrophobicContact CE1-CD1 4.08Å
95R90.7Very high76Confident172 Ų17282.5 Ų82.565%0.64941%0.409SS*.  trans-120.5156.2179.9-61.1179.7-176.8177.11110.1G97 D98 V117R95-G97 PolarHBondContact O-N 3.2Å; R95-D98 PolarHBondContact N-OD2 3.02Å; R95-D98 WeakPolarHBondContact O-CB 3.38Å; R95-D98 VanDerWaalsContact O-CG 3.31Å; R95-D98 PolarHBondContact O-N 3.4Å; R95-V117 VanDerWaalsContact O-CB 3.29Å; R95-V117 WeakPolarHBondContact O-CB 3.43Å; R95-V117 VanDerWaalsContact O-CG1 3.31Å; R95-V117 WeakPolarHBondContact O-CG1 3.2Å
96V92.3Very high77.5Confident95 Ų9582.4 Ų82.458%0.57641%0.413SS*.THydrogen-bonded Turntrans-60.8128.4169.1178.70000108.1
97G89.7Confident79.3Confident18 Ų1875.3 Ų75.319%0.18638%0.384CS..THydrogen-bonded Turntrans108.8-22.8-17700000114.3R95 F99 R116 V117R95-G97 PolarHBondContact O-N 3.2Å; G97-F99 PolarHBondContact O-N 3.15Å; G97-R116 WeakPolarHBondContact O-CG 3.37Å; G97-R116 PolarHBondContact O-NE 2.94Å; G97-R116 VanDerWaalsContact O-NE 3.11Å; G97-V117 PolarHBondContact N-O 3.07Å
98D89.1Confident80.7Confident38 Ų3872.3 Ų72.320%0.20338%0.377CS..  trans-60133.2-177.7-71.2-3.5000111.8F94 R95 V100 R116 V117 L149F94-D98 WeakPolarHBondContact CA-OD2 3.41Å; F94-D98 HydrophobicContact CD1-CB 4.39Å; R95-D98 PolarHBondContact N-OD2 3.02Å; R95-D98 WeakPolarHBondContact O-CB 3.38Å; R95-D98 VanDerWaalsContact O-CG 3.31Å; R95-D98 PolarHBondContact O-N 3.4Å; D98-V100 HydrophobicContact CB-CG1 4.4Å; D98-R116 CarbonylContact O-C 3.57Å; D98-R116 WeakPolarHBondContact O-CA 3.46Å; D98-V117 HydrophobicContact CB-CB 4.34Å; D98-V117 HydrophobicContact CB-CG2 4.04Å; D98-V117 PolarHBondContact O-N 3.31Å; D98-L149 HydrophobicContact CB-CD1 3.64Å
99F89.8Confident82.4Confident26 Ų2663.9 Ų63.911%0.11435%0.345CS..EExtended strand (participates in β ladder)trans-82.4131.9168.6-71.7-79.5000109.9Y19 G97 R116 L150Y19-F99 HydrophobicContact CD1-CD1 4.29Å; Y19-F99 HydrophobicContact CD1-CE1 4.05Å; Y19-F99 HydrophobicContact CD2-CB 3.84Å; Y19-F99 AromaticContact CD2-CD1 3.41Å; Y19-F99 HydrophobicContact CD2-CD1 3.41Å; Y19-F99 VanDerWaalsContact CD2-CD1 3.41Å; Y19-F99 HydrophobicContact CD2-CD2 4.39Å; Y19-F99 HydrophobicContact CD2-CE1 4Å; Y19-F99 AromaticContact CD2-CG 3.63Å; Y19-F99 HydrophobicContact CD2-CG 3.63Å; Y19-F99 HydrophobicContact CE1-CE1 4.46Å; Y19-F99 HydrophobicContact CE2-CB 4.42Å; Y19-F99 AromaticContact CE2-CD1 3.78Å; Y19-F99 HydrophobicContact CE2-CD1 3.78Å; Y19-F99 HydrophobicContact CE2-CE1 4.41Å; Y19-F99 HydrophobicContact CE2-CG 4.34Å; Y19-F99 AromaticContact CG-CD1 3.7Å; Y19-F99 HydrophobicContact CG-CD1 3.7Å; Y19-F99 HydrophobicContact CG-CD2 4.39Å; Y19-F99 AromaticContact CG-CE1 3.8Å; Y19-F99 HydrophobicContact CG-CE1 3.8Å; Y19-F99 HydrophobicContact CG-CE2 4.48Å; Y19-F99 AromaticContact CG-CG 4Å; Y19-F99 HydrophobicContact CG-CG 4Å; Y19-F99 HydrophobicContact CG-CZ 4.19Å; G97-F99 PolarHBondContact O-N 3.15Å; F99-R116 HydrophobicContact CD1-CB 4.49Å; F99-L150 HydrophobicContact CB-CB 4.23Å; F99-L150 PolarHBondContact O-N 3.18Å
100V90.2Very high83.9Confident0 Ų059.8 Ų59.80%033%0.331CS..EExtended strand (participates in β ladder)trans-134.6144.6-174.9-60.60000111.9F94 D98 V102 T114 G115 V117 V133 L147 A148 L149F94-V100 HydrophobicContact CD1-CG1 3.82Å; F94-V100 HydrophobicContact CE1-CG1 3.45Å; F94-V100 VanDerWaalsContact CE1-CG1 3.45Å; D98-V100 HydrophobicContact CB-CG1 4.4Å; V100-V102 HydrophobicContact CG2-CG2 4.34Å; V100-T114 CarbonylContact O-C 3.56Å; V100-T114 VanDerWaalsContact O-CA 3.3Å; V100-T114 WeakPolarHBondContact O-CA 3.19Å; V100-G115 PolarHBondContact N-O 3.27Å; V100-G115 PolarHBondContact O-N 3.3Å; V100-V117 HydrophobicContact CG1-CG2 3.89Å; V100-V117 HydrophobicContact CG2-CG2 4.36Å; V100-V133 HydrophobicContact CG2-CB 4.49Å; V100-V133 HydrophobicContact CG2-CG1 3.65Å; V100-V133 HydrophobicContact CG2-CG2 3.96Å; V100-L147 HydrophobicContact CB-CB 4.41Å; V100-L147 HydrophobicContact CG2-CD2 4.08Å; V100-A148 CarbonylContact C-O 3.29Å; V100-A148 WeakPolarHBondContact CA-O 3.39Å; V100-A148 WeakPolarHBondContact CB-O 3.49Å; V100-L149 HydrophobicContact CG1-CD1 4.47Å
101L90.8Very high85.1Confident5 Ų553.6 Ų53.63%0.02630%0.296CS..EExtended strand (participates in β ladder)trans-86.2127.2161.4-17272.9000109.1P16 L78 W112 L113 T114 L147 A148 L150P16-L101 HydrophobicContact CG-CD1 4.45Å; L78-L101 HydrophobicContact CD1-CD2 3.57Å; L78-L101 HydrophobicContact CD2-CD2 3.41Å; L78-L101 VanDerWaalsContact CD2-CD2 3.41Å; L78-L101 HydrophobicContact CD2-CG 4.15Å; L78-L101 HydrophobicContact CG-CD2 3.86Å; L101-W112 HydrophobicContact CD1-CB 4.01Å; L101-W112 HydrophobicContact CD1-CE3 3.9Å; L101-W112 HydrophobicContact CD2-CE3 3.77Å; L101-W112 HydrophobicContact CD2-CZ3 3.9Å; L101-W112 HydrophobicContact CG-CE3 4.43Å; L101-L113 WeakPolarHBondContact CD1-O 3.39Å; L101-T114 HydrophobicContact CD1-CG2 4Å; L101-L147 WeakPolarHBondContact O-CA 3.4Å; L101-A148 HydrophobicContact CB-CB 4.23Å; L101-A148 PolarHBondContact N-O 3.3Å; L101-A148 PolarHBondContact O-N 2.68Å; L101-L150 HydrophobicContact CB-CD1 4.21Å; L101-L150 HydrophobicContact CB-CD2 4.17Å; L101-L150 HydrophobicContact CB-CG 4.13Å
102V90.5Very high86.2Confident8 Ų852.1 Ų52.15%0.04828%0.284CS..EExtended strand (participates in β ladder)trans-96.7115.4-178.7-174.10000109.3V100 E104 L113 V133 T135 R142 L147V100-V102 HydrophobicContact CG2-CG2 4.34Å; V102-E104 PolarHBondContact O-N 2.86Å; V102-E104 VanDerWaalsContact O-N 3.17Å; V102-L113 HydrophobicContact CB-CB 4.4Å; V102-L113 HydrophobicContact CB-CD2 3.92Å; V102-L113 HydrophobicContact CB-CG 3.98Å; V102-L113 HydrophobicContact CG1-CD2 4Å; V102-L113 HydrophobicContact CG2-CG 4.45Å; V102-L113 PolarHBondContact N-O 2.9Å; V102-V133 HydrophobicContact CG2-CG1 3.93Å; V102-T135 HydrophobicContact CG2-CG2 4.21Å; V102-R142 HydrophobicContact CG1-CG 4.2Å; V102-L147 HydrophobicContact CB-CD2 4.42Å; V102-L147 HydrophobicContact CG1-CD2 4.29Å; V102-L147 HydrophobicContact CG2-CD2 3.96Å
103V88.1Confident86.9Confident14 Ų1449.3 Ų49.39%0.08526%0.26CS..  trans-78.198.7176.2-173.50000108.6L74 L78 R146L74-V103 WeakPolarHBondContact O-CG1 3.38Å; L78-V103 HydrophobicContact CB-CG2 4.48Å; L78-V103 HydrophobicContact CD2-CB 4.39Å; L78-V103 HydrophobicContact CD2-CG1 4.49Å; L78-V103 HydrophobicContact CD2-CG2 3.6Å; L78-V103 HydrophobicContact CG-CG2 4.21Å; V103-R146 HydrophobicContact CB-CB 4.22Å; V103-R146 PolarHBondContact N-O 3.41Å; V103-R146 WeakPolarHBondContact O-CD 3.25Å
104E84.6Confident87.1Confident23 Ų2347.8 Ų47.811%0.10725%0.252CS..  trans-127.8119.4177-171.276.7-107.100111.2V102 T106 V107 L113 R142 R146V102-E104 PolarHBondContact O-N 2.86Å; V102-E104 VanDerWaalsContact O-N 3.17Å; E104-T106 WeakPolarHBondContact CG-OG1 3.29Å; E104-T106 PolarHBondContact O-N 3.23Å; E104-T106 VanDerWaalsContact O-N 3.15Å; E104-V107 HydrophobicContact CB-CG2 3.77Å; E104-V107 HydrophobicContact CG-CG2 4.32Å; E104-V107 WeakPolarHBondContact O-CB 3.37Å; E104-V107 WeakPolarHBondContact O-CG2 3.15Å; E104-V107 PolarHBondContact O-N 3.35Å; E104-L113 HydrophobicContact CB-CD2 4.31Å; E104-R142 IonicContact OE2-CZ 2.68Å; E104-R142 IonicContact OE2-NE 2.77Å; E104-R142 PolarHBondContact OE2-NE 3.04Å; E104-R142 IonicContact OE2-NH2 3.2Å; E104-R142 PolarHBondContact OE2-NH2 2.96Å; E104-R146 IonicContact OE1-NH1 2.91Å; E104-R146 PolarHBondContact OE1-NH1 3.43Å
105P77.5Confident87.2Confident94 Ų9447.3 Ų47.361%0.6125%0.252SS*.THydrogen-bonded Turntrans-65.7-14.7-177.725.2-36.6000114.8V107P105-V107 VanDerWaalsContact C-N 3.34Å
106T82.4Confident87.3Confident116 Ų11642.4 Ų42.471%0.71223%0.233SC*.THydrogen-bonded Turntrans-83.9-9.7179.558.90000113.3E104E104-T106 WeakPolarHBondContact CG-OG1 3.29Å; E104-T106 PolarHBondContact O-N 3.23Å; E104-T106 VanDerWaalsContact O-N 3.15Å
107V80.5Confident87.3Confident22 Ų2237.9 Ų37.913%0.13321%0.206CC..SBendtrans-68.6137.9-177.7178.30000110.5E104 P105 E111 L113E104-V107 HydrophobicContact CB-CG2 3.77Å; E104-V107 HydrophobicContact CG-CG2 4.32Å; E104-V107 WeakPolarHBondContact O-CB 3.37Å; E104-V107 WeakPolarHBondContact O-CG2 3.15Å; E104-V107 PolarHBondContact O-N 3.35Å; P105-V107 VanDerWaalsContact C-N 3.34Å; V107-E111 HydrophobicContact CG1-CB 3.52Å; V107-E111 HydrophobicContact CG1-CG 3.6Å; V107-E111 WeakPolarHBondContact CG1-O 3.48Å; V107-L113 HydrophobicContact CG2-CB 3.9Å; V107-L113 HydrophobicContact CG2-CD2 4.03Å
108K84.3Confident87.5Confident161 Ų16139.6 Ų39.670%0.721%0.213SC*.PPolyproline II helixtrans-64.7158.9-178.8-68.1-179.9-178.2175.50110.7W70 G110 E111W70-K108 PolarHBondContact NE1-O 3.37Å; K108-G110 PolarHBondContact O-N 2.93Å; K108-E111 HydrophobicContact CB-CB 4.47Å; K108-E111 WeakPolarHBondContact O-CB 3.03Å; K108-E111 PolarHBondContact O-N 2.82Å; K108-E111 VanDerWaalsContact O-N 3.15Å
109R85.2Confident87.8Confident56 Ų5644.7 Ų44.721%0.21123%0.229CC..THydrogen-bonded Turntrans-58.9130.6176.9-175.8-176.464.1-153.314.5110.8L11 S46 N67 W70 E111L11-R109 HydrophobicContact CD1-CG 4.03Å; L11-R109 HydrophobicContact CD2-CG 3.75Å; S46-R109 PolarHBondContact OG-NH2 2.67Å; N67-R109 VanDerWaalsContact CG-NH1 3.33Å; N67-R109 WeakPolarHBondContact OD1-CD 3.09Å; N67-R109 PolarHBondContact OD1-NH1 3.07Å; W70-R109 HydrophobicContact CB-CG 4.01Å; W70-R109 HydrophobicContact CD2-CG 4.3Å; W70-R109 HydrophobicContact CG-CB 4.28Å; W70-R109 HydrophobicContact CG-CG 3.86Å; R109-E111 PolarHBondContact O-N 2.93Å
110G84Confident88.1Confident34 Ų3444.9 Ų44.935%0.35123%0.232SC..THydrogen-bonded Turntrans79.5-1.4178.400000114.4K108K108-G110 PolarHBondContact O-N 2.93Å
111E85.1Confident88.2Confident41 Ų4147.2 Ų47.219%0.19225%0.245CC..  trans-90.5115.6173.2-178.6172-160.100109.2W70 V107 K108 R109 K136 F137W70-E111 WeakPolarHBondContact CZ2-O 3.4Å; V107-E111 HydrophobicContact CG1-CB 3.52Å; V107-E111 HydrophobicContact CG1-CG 3.6Å; V107-E111 WeakPolarHBondContact CG1-O 3.48Å; K108-E111 HydrophobicContact CB-CB 4.47Å; K108-E111 WeakPolarHBondContact O-CB 3.03Å; K108-E111 PolarHBondContact O-N 2.82Å; K108-E111 VanDerWaalsContact O-N 3.15Å; R109-E111 PolarHBondContact O-N 2.93Å; E111-K136 WeakPolarHBondContact OE1-CE 3.49Å; E111-K136 IonicContact OE1-NZ 2.74Å; E111-K136 PolarHBondContact OE1-NZ 3.38Å; E111-F137 WeakPolarHBondContact OE1-CE2 3.2Å; E111-F137 VanDerWaalsContact OE1-CZ 3.25Å; E111-F137 WeakPolarHBondContact OE1-CZ 3.47Å
112W87.5Confident88.2Confident25 Ų2553 Ų5310%0.09528%0.275CS..  trans-94.6103.4173.5-66.398.4000108.1L11 G14 R15 P16 W70 W73 L74 L78 L101 T114L11-W112 WeakPolarHBondContact O-CZ2 3.46Å; L11-W112 PolarHBondContact O-NE1 3.27Å; G14-W112 PolarHBondContact O-NE1 3.46Å; R15-W112 VanDerWaalsContact CA-CE2 3.46Å; R15-W112 HydrophobicContact CB-CD2 4.22Å; R15-W112 HydrophobicContact CB-CH2 3.99Å; R15-W112 HydrophobicContact CB-CZ2 3.51Å; R15-W112 HydrophobicContact CG-CD2 4.06Å; R15-W112 HydrophobicContact CG-CE3 4Å; R15-W112 HydrophobicContact CG-CH2 3.68Å; R15-W112 HydrophobicContact CG-CZ2 3.74Å; R15-W112 HydrophobicContact CG-CZ3 3.82Å; P16-W112 HydrophobicContact CG-CB 3.65Å; P16-W112 HydrophobicContact CG-CG 4.21Å; W70-W112 AromaticContact CH2-CD2 3.73Å; W70-W112 HydrophobicContact CH2-CD2 3.73Å; W70-W112 AromaticContact CH2-CE2 3.45Å; W70-W112 VanDerWaalsContact CH2-CE2 3.45Å; W70-W112 HydrophobicContact CH2-CE3 4.09Å; W70-W112 HydrophobicContact CH2-CG 4.28Å; W70-W112 HydrophobicContact CH2-CH2 4.03Å; W70-W112 AromaticContact CH2-CZ2 3.65Å; W70-W112 HydrophobicContact CH2-CZ2 3.65Å; W70-W112 HydrophobicContact CH2-CZ3 4.23Å; W70-W112 AromaticContact CH2-NE1 3.79Å; W70-W112 HydrophobicContact CZ3-CD2 4.4Å; W70-W112 AromaticContact CZ3-CE2 3.7Å; W70-W112 AromaticContact CZ3-CH2 3.91Å; W70-W112 HydrophobicContact CZ3-CH2 3.91Å; W70-W112 AromaticContact CZ3-CZ2 3.45Å; W70-W112 HydrophobicContact CZ3-CZ2 3.45Å; W70-W112 VanDerWaalsContact CZ3-CZ2 3.45Å; W73-W112 AromaticContact NE1-CH2 3.81Å; L74-W112 HydrophobicContact CD2-CE3 4.28Å; L74-W112 HydrophobicContact CD2-CH2 4.46Å; L74-W112 HydrophobicContact CD2-CZ3 3.83Å; L78-W112 HydrophobicContact CD1-CH2 4.39Å; L78-W112 HydrophobicContact CD1-CZ3 3.74Å; L78-W112 HydrophobicContact CD2-CZ3 4.4Å; L101-W112 HydrophobicContact CD1-CB 4.01Å; L101-W112 HydrophobicContact CD1-CE3 3.9Å; L101-W112 HydrophobicContact CD2-CE3 3.77Å; L101-W112 HydrophobicContact CD2-CZ3 3.9Å; L101-W112 HydrophobicContact CG-CE3 4.43Å; W112-T114 PolarHBondContact O-N 3.48Å
113L88.7Confident87.9Confident15 Ų1553.9 Ų53.98%0.07928%0.282CS..  trans-74.8108.5179.7-177.663000109.5L101 V102 E104 V107 T135 F137L101-L113 WeakPolarHBondContact CD1-O 3.39Å; V102-L113 HydrophobicContact CB-CB 4.4Å; V102-L113 HydrophobicContact CB-CD2 3.92Å; V102-L113 HydrophobicContact CB-CG 3.98Å; V102-L113 HydrophobicContact CG1-CD2 4Å; V102-L113 HydrophobicContact CG2-CG 4.45Å; V102-L113 PolarHBondContact N-O 2.9Å; E104-L113 HydrophobicContact CB-CD2 4.31Å; V107-L113 HydrophobicContact CG2-CB 3.9Å; V107-L113 HydrophobicContact CG2-CD2 4.03Å; L113-T135 HydrophobicContact CD1-CG2 4.1Å; L113-T135 HydrophobicContact CG-CG2 4.28Å; L113-F137 HydrophobicContact CD1-CD2 3.8Å; L113-F137 HydrophobicContact CD1-CE2 3.98Å
114T90.6Very high87.9Confident23 Ų2360.3 Ų60.314%0.14132%0.324CS..EExtended strand (participates in β ladder)trans-104.2163.4174.1560000110.9P16 Y19 V100 L101 W112 L150P16-T114 HydrophobicContact CB-CG2 4.05Å; P16-T114 HydrophobicContact CG-CG2 3.64Å; Y19-T114 HydrophobicContact CE2-CG2 4.27Å; Y19-T114 WeakPolarHBondContact OH-CB 3.28Å; Y19-T114 PolarHBondContact OH-OG1 2.96Å; V100-T114 CarbonylContact O-C 3.56Å; V100-T114 VanDerWaalsContact O-CA 3.3Å; V100-T114 WeakPolarHBondContact O-CA 3.19Å; L101-T114 HydrophobicContact CD1-CG2 4Å; W112-T114 PolarHBondContact O-N 3.48Å; T114-L150 HydrophobicContact CG2-CD1 3.68Å
115G90.7Very high88Confident7 Ų763.3 Ų63.37%0.07234%0.341CS..EExtended strand (participates in β ladder)trans-168.2-179.3171.600000112.4V100 K134V100-G115 PolarHBondContact N-O 3.27Å; V100-G115 PolarHBondContact O-N 3.3Å; G115-K134 CarbonylContact C-O 3.52Å; G115-K134 WeakPolarHBondContact CA-O 3.4Å
116R91.8Very high88.3Confident69 Ų6961 Ų6126%0.2634%0.335SS..EExtended strand (participates in β ladder)trans-119.1135.2178.9-168.6173.3-175.1178.4-1.8110.6D22 G97 D98 F99 V118 V133 K134D22-R116 PolarHBondContact O-NH1 2.85Å; G97-R116 WeakPolarHBondContact O-CG 3.37Å; G97-R116 PolarHBondContact O-NE 2.94Å; G97-R116 VanDerWaalsContact O-NE 3.11Å; D98-R116 CarbonylContact O-C 3.57Å; D98-R116 WeakPolarHBondContact O-CA 3.46Å; F99-R116 HydrophobicContact CD1-CB 4.49Å; R116-V118 PolarHBondContact O-N 3.07Å; R116-V133 CarbonylContact O-C 3.5Å; R116-V133 WeakPolarHBondContact O-CA 3.46Å; R116-K134 PolarHBondContact N-O 2.83Å; R116-K134 PolarHBondContact O-N 2.98Å
117V93.1Very high88.5Confident1 Ų159 Ų591%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-68115.5174.1177.80000108.6F94 R95 G97 D98 V100 V120 A131 V133F94-V117 HydrophobicContact CD1-CG2 4.26Å; R95-V117 VanDerWaalsContact O-CB 3.29Å; R95-V117 WeakPolarHBondContact O-CB 3.43Å; R95-V117 VanDerWaalsContact O-CG1 3.31Å; R95-V117 WeakPolarHBondContact O-CG1 3.2Å; G97-V117 PolarHBondContact N-O 3.07Å; D98-V117 HydrophobicContact CB-CB 4.34Å; D98-V117 HydrophobicContact CB-CG2 4.04Å; D98-V117 PolarHBondContact O-N 3.31Å; V100-V117 HydrophobicContact CG1-CG2 3.89Å; V100-V117 HydrophobicContact CG2-CG2 4.36Å; V117-V120 HydrophobicContact CG1-CG1 3.83Å; V117-A131 HydrophobicContact CG1-CB 4.11Å; V117-V133 HydrophobicContact CG2-CG2 4.37Å
118V94.3Very high88.9Confident53 Ų5358.5 Ų58.532%0.32132%0.315SS..EExtended strand (participates in β ladder)trans-100.7-24.1178.4-66.10000112.4R116 I132 K134R116-V118 PolarHBondContact O-N 3.07Å; V118-I132 HydrophobicContact CG2-CB 3.9Å; V118-I132 HydrophobicContact CG2-CG2 3.52Å; V118-I132 VanDerWaalsContact CG2-O 3.3Å; V118-I132 WeakPolarHBondContact CG2-O 3.36Å; V118-I132 PolarHBondContact N-O 3.46Å; V118-K134 HydrophobicContact CG1-CB 3.62Å
119R95.5Very high89.2Confident145 Ų14556.4 Ų56.455%0.54730%0.303SS..EExtended strand (participates in β ladder)trans-152.2141.7176.4-170.4170.877.1-165.99.2109.9A131 I132R119-A131 CarbonylContact O-C 3.57Å; R119-A131 WeakPolarHBondContact O-CA 3.28Å; R119-I132 HydrophobicContact CB-CB 4.1Å; R119-I132 HydrophobicContact CB-CD1 4.47Å; R119-I132 HydrophobicContact CB-CG1 4.32Å; R119-I132 PolarHBondContact N-O 3.44Å; R119-I132 PolarHBondContact O-N 2.93Å
120V94.8Very high89.6Confident30 Ų3058.2 Ų58.218%0.18231%0.312CS..EExtended strand (participates in β ladder)trans-103.9146.9168.7-66.10000109.6F94 V117 I128F94-V120 WeakPolarHBondContact O-CG1 3.47Å; V117-V120 HydrophobicContact CG1-CG1 3.83Å; V120-I128 HydrophobicContact CB-CD1 3.79Å; V120-I128 HydrophobicContact CB-CG2 4.01Å; V120-I128 HydrophobicContact CG1-CD1 3.95Å; V120-I128 HydrophobicContact CG1-CG2 4.23Å; V120-I128 HydrophobicContact CG2-CD1 3.99Å
121I93.5Very high90.1Very high50 Ų5056.6 Ų56.626%0.25630%0.296SS..EExtended strand (participates in β ladder)trans-106.2109.9176.1-55.8179.8000107.1K130 E141I121-K130 HydrophobicContact CB-CB 4.05Å; I121-K130 HydrophobicContact CD1-CB 3.88Å; I121-K130 HydrophobicContact CD1-CD 4.33Å; I121-K130 HydrophobicContact CG1-CB 4.27Å; I121-K130 PolarHBondContact N-O 3.2Å; I121-E141 HydrophobicContact CD1-CG 4.02Å
122D88.8Confident90.6Very high125 Ų12555.6 Ų55.667%0.66829%0.291SS*.  trans-68.3140.1-179.4-59.9-54000111
123S85.9Confident91Very high28 Ų2854.5 Ų54.520%0.19629%0.287CS..  trans-102.7153.7168.4-55.40000109D125 G126 I127 R129S123-D125 WeakPolarHBondContact CB-OD1 3.45Å; S123-D125 PolarHBondContact O-N 3.46Å; S123-G126 PolarHBondContact O-N 2.8Å; S123-I127 WeakPolarHBondContact CB-O 3.27Å; S123-I127 PolarHBondContact OG-O 2.77Å; S123-R129 PolarHBondContact OG-NH1 3.49Å
124P87.2Confident91.2Very high149 Ų14958.6 Ų58.697%0.96831%0.305SS*.THydrogen-bonded Turntrans-57.4-23.2178.8-26.135000115G126P124-G126 VanDerWaalsContact C-N 3.35Å
125D87.4Confident91.1Very high85 Ų8558.1 Ų58.146%0.45530%0.301SS..THydrogen-bonded Turntrans-90.37.1178.263.2-9.7000113.6S123 I127 R129S123-D125 WeakPolarHBondContact CB-OD1 3.45Å; S123-D125 PolarHBondContact O-N 3.46Å; D125-I127 PolarHBondContact O-N 3.06Å; D125-I127 PolarHBondContact OD1-N 2.93Å; D125-R129 VanDerWaalsContact CG-NH1 3.28Å; D125-R129 IonicContact OD1-CZ 3.6Å; D125-R129 IonicContact OD1-NH1 3.02Å; D125-R129 PolarHBondContact OD1-NH1 3.19Å; D125-R129 IonicContact OD1-NH2 2.95Å; D125-R129 IonicContact OD2-CZ 3.85Å; D125-R129 VanDerWaalsContact OD2-CZ 3.24Å; D125-R129 IonicContact OD2-NH1 2.81Å; D125-R129 PolarHBondContact OD2-NH1 3.03Å; D125-R129 IonicContact OD2-NH2 3.98Å; D125-R129 PolarHBondContact OD2-NH2 3.29Å
126G84Confident90.9Very high47 Ų4764.8 Ų64.849%0.48533%0.328SS..SBendtrans75.52-178.900000114.7N93 S123 P124N93-G126 PolarHBondContact ND2-O 3.18Å; S123-G126 PolarHBondContact O-N 2.8Å; P124-G126 VanDerWaalsContact C-N 3.35Å
127I85.7Confident90.8Very high72 Ų7266.9 Ų66.937%0.36934%0.34SS..  trans-93.9121.8-179.5-59.3175.6000109.9S123 D125 R129S123-I127 WeakPolarHBondContact CB-O 3.27Å; S123-I127 PolarHBondContact OG-O 2.77Å; D125-I127 PolarHBondContact O-N 3.06Å; D125-I127 PolarHBondContact OD1-N 2.93Å; I127-R129 HydrophobicContact CG2-CG 4.33Å; I127-R129 PolarHBondContact O-N 2.79Å
128I88.8Confident90.7Very high12 Ų1268.4 Ų68.46%0.06236%0.356CS..  trans-79.3115.6178.2-58.7176.6000108.8N93 F94 V120 K130 V144N93-I128 HydrophobicContact CB-CB 4.33Å; N93-I128 HydrophobicContact CB-CD1 3.6Å; N93-I128 HydrophobicContact CB-CG1 3.98Å; N93-I128 PolarHBondContact OD1-N 2.88Å; N93-I128 VanDerWaalsContact OD1-N 3.1Å; F94-I128 WeakPolarHBondContact O-CD1 3.29Å; V120-I128 HydrophobicContact CB-CD1 3.79Å; V120-I128 HydrophobicContact CB-CG2 4.01Å; V120-I128 HydrophobicContact CG1-CD1 3.95Å; V120-I128 HydrophobicContact CG1-CG2 4.23Å; V120-I128 HydrophobicContact CG2-CD1 3.99Å; I128-K130 WeakPolarHBondContact CG2-O 3.48Å; I128-V144 HydrophobicContact CG2-CG2 4.13Å; I128-V144 WeakPolarHBondContact O-CG2 3.44Å
129R90Very high90.7Very high117 Ų11771.6 Ų71.644%0.44237%0.367SS..  trans-106.9-17.1179.3-68.4-178.2178.478.80.5113.3S123 D125 I127 P143 V144S123-R129 PolarHBondContact OG-NH1 3.49Å; D125-R129 VanDerWaalsContact CG-NH1 3.28Å; D125-R129 IonicContact OD1-CZ 3.6Å; D125-R129 IonicContact OD1-NH1 3.02Å; D125-R129 PolarHBondContact OD1-NH1 3.19Å; D125-R129 IonicContact OD1-NH2 2.95Å; D125-R129 IonicContact OD2-CZ 3.85Å; D125-R129 VanDerWaalsContact OD2-CZ 3.24Å; D125-R129 IonicContact OD2-NH1 2.81Å; D125-R129 PolarHBondContact OD2-NH1 3.03Å; D125-R129 IonicContact OD2-NH2 3.98Å; D125-R129 PolarHBondContact OD2-NH2 3.29Å; I127-R129 HydrophobicContact CG2-CG 4.33Å; I127-R129 PolarHBondContact O-N 2.79Å; R129-P143 CarbonylContact O-C 3.43Å; R129-P143 VanDerWaalsContact O-CA 3.31Å; R129-P143 WeakPolarHBondContact O-CA 3.32Å; R129-V144 PolarHBondContact O-N 3.33Å
130K94.1Very high90.6Very high95 Ų9569.2 Ų69.241%0.41336%0.359SS..EExtended strand (participates in β ladder)trans-140.8146.2-178.4-64.6171162.6-153.80110.1I121 I128 E141 R142I121-K130 HydrophobicContact CB-CB 4.05Å; I121-K130 HydrophobicContact CD1-CB 3.88Å; I121-K130 HydrophobicContact CD1-CD 4.33Å; I121-K130 HydrophobicContact CG1-CB 4.27Å; I121-K130 PolarHBondContact N-O 3.2Å; I128-K130 WeakPolarHBondContact CG2-O 3.48Å; K130-E141 VanDerWaalsContact CD-OE1 3.29Å; K130-E141 WeakPolarHBondContact CD-OE1 3.31Å; K130-E141 WeakPolarHBondContact CE-OE1 3.38Å; K130-E141 IonicContact NZ-OE1 3.39Å; K130-E141 PolarHBondContact NZ-OE1 3.49Å; K130-R142 WeakPolarHBondContact CA-O 3.45Å
131A94.7Very high90.6Very high0 Ų072 Ų720%037%0.37CS..EExtended strand (participates in β ladder)trans-141152.6173.900000109.9V117 R119 R142 L147V117-A131 HydrophobicContact CG1-CB 4.11Å; R119-A131 CarbonylContact O-C 3.57Å; R119-A131 WeakPolarHBondContact O-CA 3.28Å; A131-R142 PolarHBondContact N-O 3.31Å; A131-R142 PolarHBondContact O-N 2.8Å; A131-L147 HydrophobicContact CB-CD1 3.92Å
132I96.4Very high90.6Very high20 Ų2072.2 Ų72.210%0.10337%0.367CS..EExtended strand (participates in β ladder)trans-92124.6166.7-57.5-168.1000107.7V118 R119 Q139 Y140V118-I132 HydrophobicContact CG2-CB 3.9Å; V118-I132 HydrophobicContact CG2-CG2 3.52Å; V118-I132 VanDerWaalsContact CG2-O 3.3Å; V118-I132 WeakPolarHBondContact CG2-O 3.36Å; V118-I132 PolarHBondContact N-O 3.46Å; R119-I132 HydrophobicContact CB-CB 4.1Å; R119-I132 HydrophobicContact CB-CD1 4.47Å; R119-I132 HydrophobicContact CB-CG1 4.32Å; R119-I132 PolarHBondContact N-O 3.44Å; R119-I132 PolarHBondContact O-N 2.93Å; I132-Q139 HydrophobicContact CG2-CB 4.11Å; I132-Y140 WeakPolarHBondContact CA-O 3.35Å
133V94.2Very high90.8Very high1 Ų168.6 Ų68.61%0.00635%0.35CS..EExtended strand (participates in β ladder)trans-114.9126.4-179.2-178.40000109.1V100 V102 R116 V117 T135 Q139 Y140 L147V100-V133 HydrophobicContact CG2-CB 4.49Å; V100-V133 HydrophobicContact CG2-CG1 3.65Å; V100-V133 HydrophobicContact CG2-CG2 3.96Å; V102-V133 HydrophobicContact CG2-CG1 3.93Å; R116-V133 CarbonylContact O-C 3.5Å; R116-V133 WeakPolarHBondContact O-CA 3.46Å; V117-V133 HydrophobicContact CG2-CG2 4.37Å; V133-T135 HydrophobicContact CG1-CG2 4.17Å; V133-Q139 WeakPolarHBondContact O-CA 3.48Å; V133-Y140 PolarHBondContact N-O 2.97Å; V133-Y140 PolarHBondContact O-N 3.25Å; V133-L147 HydrophobicContact CG2-CD1 3.66Å; V133-L147 HydrophobicContact CG2-CD2 3.76Å; V133-L147 HydrophobicContact CG2-CG 4.38Å
134K93Very high90.9Very high102 Ų10267.8 Ų67.844%0.44335%0.345SS..EExtended strand (participates in β ladder)trans-84.8118.5169.3-176.9-179.1176.7-1700108.6G115 R116 V118 Q139G115-K134 CarbonylContact C-O 3.52Å; G115-K134 WeakPolarHBondContact CA-O 3.4Å; R116-K134 PolarHBondContact N-O 2.83Å; R116-K134 PolarHBondContact O-N 2.98Å; V118-K134 HydrophobicContact CG1-CB 3.62Å; K134-Q139 HydrophobicContact CB-CG 4.01Å; K134-Q139 HydrophobicContact CG-CG 4.1Å
135T90.3Very high90.9Very high12 Ų1265.7 Ų65.77%0.07433%0.329CS..EExtended strand (participates in β ladder)trans-111.4173.617469.60000109.7V102 L113 V133 F137 G138 Y140V102-T135 HydrophobicContact CG2-CG2 4.21Å; L113-T135 HydrophobicContact CD1-CG2 4.1Å; L113-T135 HydrophobicContact CG-CG2 4.28Å; V133-T135 HydrophobicContact CG1-CG2 4.17Å; T135-F137 PolarHBondContact O-N 3.07Å; T135-F137 VanDerWaalsContact O-N 3.1Å; T135-F137 PolarHBondContact OG1-N 2.88Å; T135-G138 PolarHBondContact N-O 2.81Å; T135-G138 PolarHBondContact O-N 3.18Å; T135-G138 VanDerWaalsContact O-N 3.11Å; T135-G138 PolarHBondContact OG1-O 3.11Å; T135-Y140 HydrophobicContact CG2-CD2 4.4Å; T135-Y140 WeakPolarHBondContact OG1-CE2 3.46Å
136K86.3Confident91Very high147 Ų14766.1 Ų66.164%0.63932%0.324SS*.THydrogen-bonded Turntrans-58.1-19.817166.2179.8179.7174.60114.3E111E111-K136 WeakPolarHBondContact OE1-CE 3.49Å; E111-K136 IonicContact OE1-NZ 2.74Å; E111-K136 PolarHBondContact OE1-NZ 3.38Å
137F88.2Confident91.2Very high114 Ų11464 Ų6450%0.530%0.302SS..THydrogen-bonded Turntrans-99.95.7-179.9-58.4-62.7000113.7E111 L113 T135 Y140E111-F137 WeakPolarHBondContact OE1-CE2 3.2Å; E111-F137 VanDerWaalsContact OE1-CZ 3.25Å; E111-F137 WeakPolarHBondContact OE1-CZ 3.47Å; L113-F137 HydrophobicContact CD1-CD2 3.8Å; L113-F137 HydrophobicContact CD1-CE2 3.98Å; T135-F137 PolarHBondContact O-N 3.07Å; T135-F137 VanDerWaalsContact O-N 3.1Å; T135-F137 PolarHBondContact OG1-N 2.88Å; F137-Y140 HydrophobicContact CB-CE2 4.21Å; F137-Y140 PolarHBondContact O-OH 3.22Å
138G90.9Very high91.4Very high33 Ų3361 Ų6134%0.3429%0.288SS..EExtended strand (participates in β ladder)trans116.9-170.7-176.200000113.3T135 Y140T135-G138 PolarHBondContact N-O 2.81Å; T135-G138 PolarHBondContact O-N 3.18Å; T135-G138 VanDerWaalsContact O-N 3.11Å; T135-G138 PolarHBondContact OG1-O 3.11Å; G138-Y140 WeakPolarHBondContact O-CD2 3.38Å; G138-Y140 WeakPolarHBondContact O-CE2 3.31Å
139Q94.1Very high91.3Very high120 Ų12063.8 Ų63.856%0.56130%0.302SS*.EExtended strand (participates in β ladder)trans-100.6136.1-176.6-62.7-172.220.700111.4I132 V133 K134I132-Q139 HydrophobicContact CG2-CB 4.11Å; V133-Q139 WeakPolarHBondContact O-CA 3.48Å; K134-Q139 HydrophobicContact CB-CG 4.01Å; K134-Q139 HydrophobicContact CG-CG 4.1Å
140Y93.8Very high91Very high95 Ų9558.9 Ų58.937%0.37329%0.285SS..EExtended strand (participates in β ladder)trans-139136.9-177.2-58.6-83.6000111.1I132 V133 T135 F137 G138I132-Y140 WeakPolarHBondContact CA-O 3.35Å; V133-Y140 PolarHBondContact N-O 2.97Å; V133-Y140 PolarHBondContact O-N 3.25Å; T135-Y140 HydrophobicContact CG2-CD2 4.4Å; T135-Y140 WeakPolarHBondContact OG1-CE2 3.46Å; F137-Y140 HydrophobicContact CB-CE2 4.21Å; F137-Y140 PolarHBondContact O-OH 3.22Å; G138-Y140 WeakPolarHBondContact O-CD2 3.38Å; G138-Y140 WeakPolarHBondContact O-CE2 3.31Å
141E95.6Very high89.8Confident88 Ų8859.2 Ų59.241%0.41129%0.292SS..EExtended strand (participates in β ladder)trans-73.3128.4166-176.3179.2131.800109.2I121 K130I121-E141 HydrophobicContact CD1-CG 4.02Å; K130-E141 VanDerWaalsContact CD-OE1 3.29Å; K130-E141 WeakPolarHBondContact CD-OE1 3.31Å; K130-E141 WeakPolarHBondContact CE-OE1 3.38Å; K130-E141 IonicContact NZ-OE1 3.39Å; K130-E141 PolarHBondContact NZ-OE1 3.49Å
142R93.5Very high87.7Confident54 Ų5462.7 Ų62.720%0.20432%0.32CS..EExtended strand (participates in β ladder)trans-133.7140.3178.4-70.8-66.2177.6-89.12.4111V102 E104 K130 A131 L147V102-R142 HydrophobicContact CG1-CG 4.2Å; E104-R142 IonicContact OE2-CZ 2.68Å; E104-R142 IonicContact OE2-NE 2.77Å; E104-R142 PolarHBondContact OE2-NE 3.04Å; E104-R142 IonicContact OE2-NH2 3.2Å; E104-R142 PolarHBondContact OE2-NH2 2.96Å; K130-R142 WeakPolarHBondContact CA-O 3.45Å; A131-R142 PolarHBondContact N-O 3.31Å; A131-R142 PolarHBondContact O-N 2.8Å; R142-L147 HydrophobicContact CB-CD1 4.35Å; R142-L147 HydrophobicContact CB-CD2 3.9Å; R142-L147 HydrophobicContact CB-CG 4.22Å; R142-L147 HydrophobicContact CG-CD2 4.43Å
143P92.1Very high85.2Confident49 Ų4968.5 Ų68.532%0.31835%0.351SS..EExtended strand (participates in β ladder)trans-65.5143.5168.330.3-34000109R129 T145 R146R129-P143 CarbonylContact O-C 3.43Å; R129-P143 VanDerWaalsContact O-CA 3.31Å; R129-P143 WeakPolarHBondContact O-CA 3.32Å; P143-T145 PolarHBondContact O-N 3.34Å; P143-T145 VanDerWaalsContact O-N 3.13Å; P143-R146 HydrophobicContact CG-CB 4.24Å; P143-R146 HydrophobicContact CG-CG 3.97Å; P143-R146 PolarHBondContact O-N 2.9Å
144V88.8Confident82.4Confident12 Ų1276.7 Ų76.77%0.07339%0.387CS..G310 helixtrans-57.1-29.3179.3160.70000112F94 I128 R129 R146 L147F94-V144 HydrophobicContact CD2-CB 4.29Å; F94-V144 HydrophobicContact CD2-CG1 3.6Å; F94-V144 HydrophobicContact CD2-CG2 3.79Å; F94-V144 HydrophobicContact CE2-CB 4.39Å; F94-V144 HydrophobicContact CE2-CG1 3.44Å; F94-V144 VanDerWaalsContact CE2-CG1 3.44Å; F94-V144 HydrophobicContact CE2-CG2 4.36Å; I128-V144 HydrophobicContact CG2-CG2 4.13Å; I128-V144 WeakPolarHBondContact O-CG2 3.44Å; R129-V144 PolarHBondContact O-N 3.33Å; V144-R146 PolarHBondContact O-N 3.31Å; V144-L147 PolarHBondContact O-N 2.97Å
145T87Confident79.4Confident105 Ų10578.2 Ų78.264%0.64443%0.431SS*.G310 helixtrans-63.6-7.9173.656.50000114.7Q82 P143Q82-T145 PolarHBondContact OE1-O 3.06Å; P143-T145 PolarHBondContact O-N 3.34Å; P143-T145 VanDerWaalsContact O-N 3.13Å
146R89.1Confident78.9Confident94 Ų9481.5 Ų81.536%0.35545%0.449SS..G310 helixtrans-111.810.2173.2-69.5-168179.4-162.66.7112.9V103 E104 P143 V144V103-R146 HydrophobicContact CB-CB 4.22Å; V103-R146 PolarHBondContact N-O 3.41Å; V103-R146 WeakPolarHBondContact O-CD 3.25Å; E104-R146 IonicContact OE1-NH1 2.91Å; E104-R146 PolarHBondContact OE1-NH1 3.43Å; P143-R146 HydrophobicContact CG-CB 4.24Å; P143-R146 HydrophobicContact CG-CG 3.97Å; P143-R146 PolarHBondContact O-N 2.9Å; V144-R146 PolarHBondContact O-N 3.31Å
147L89.6Confident78.5Confident2 Ų278.1 Ų78.11%0.0144%0.439CS..EExtended strand (participates in β ladder)trans-121.4119.7-177.9-58.4-178.3000110.4Q82 F94 V100 L101 V102 A131 V133 R142 V144Q82-L147 VanDerWaalsContact CD-C 3.49Å; Q82-L147 PolarHBondContact NE2-O 3.2Å; F94-L147 HydrophobicContact CE1-CB 4.3Å; F94-L147 HydrophobicContact CE2-CB 4.45Å; F94-L147 HydrophobicContact CZ-CB 4.01Å; F94-L147 VanDerWaalsContact CZ-O 3.32Å; F94-L147 WeakPolarHBondContact CZ-O 3.4Å; V100-L147 HydrophobicContact CB-CB 4.41Å; V100-L147 HydrophobicContact CG2-CD2 4.08Å; L101-L147 WeakPolarHBondContact O-CA 3.4Å; V102-L147 HydrophobicContact CB-CD2 4.42Å; V102-L147 HydrophobicContact CG1-CD2 4.29Å; V102-L147 HydrophobicContact CG2-CD2 3.96Å; A131-L147 HydrophobicContact CB-CD1 3.92Å; V133-L147 HydrophobicContact CG2-CD1 3.66Å; V133-L147 HydrophobicContact CG2-CD2 3.76Å; V133-L147 HydrophobicContact CG2-CG 4.38Å; R142-L147 HydrophobicContact CB-CD1 4.35Å; R142-L147 HydrophobicContact CB-CD2 3.9Å; R142-L147 HydrophobicContact CB-CG 4.22Å; R142-L147 HydrophobicContact CG-CD2 4.43Å; V144-L147 PolarHBondContact O-N 2.97Å
148A88.6Confident78Confident10 Ų1076.1 Ų76.18%0.08344%0.436CS..EExtended strand (participates in β ladder)trans-105.9129.7173.800000108.8Q82 V100 L101 L150Q82-A148 HydrophobicContact CG-CB 3.42Å; Q82-A148 VanDerWaalsContact CG-CB 3.42Å; V100-A148 CarbonylContact C-O 3.29Å; V100-A148 WeakPolarHBondContact CA-O 3.39Å; V100-A148 WeakPolarHBondContact CB-O 3.49Å; L101-A148 HydrophobicContact CB-CB 4.23Å; L101-A148 PolarHBondContact N-O 3.3Å; L101-A148 PolarHBondContact O-N 2.68Å; A148-L150 PolarHBondContact O-N 3.23Å
149L87.7Confident77.2Confident69 Ų6978.6 Ų78.636%0.36144%0.442SS..EExtended strand (participates in β ladder)trans-65.9129.6176.4-166.663000109.4F94 D98 V100 A152F94-L149 HydrophobicContact CD1-CD1 4.39Å; F94-L149 HydrophobicContact CE1-CB 4.13Å; F94-L149 HydrophobicContact CE1-CD1 4.08Å; D98-L149 HydrophobicContact CB-CD1 3.64Å; V100-L149 HydrophobicContact CG1-CD1 4.47Å; L149-A152 HydrophobicContact CD2-CB 3.58Å; L149-A152 HydrophobicContact CG-CB 4.4Å
150L82.9Confident76.2Confident15 Ų1576 Ų768%0.07943%0.434CS..SBendtrans-96.9100170-69.9171.6000106.2P16 Y19 F99 L101 T114 A148P16-L150 HydrophobicContact CB-CD1 4Å; P16-L150 HydrophobicContact CB-CD2 4.02Å; P16-L150 WeakPolarHBondContact O-CD2 3.34Å; Y19-L150 HydrophobicContact CD2-CD1 4.48Å; Y19-L150 HydrophobicContact CE2-CD1 4.11Å; F99-L150 HydrophobicContact CB-CB 4.23Å; F99-L150 PolarHBondContact O-N 3.18Å; L101-L150 HydrophobicContact CB-CD1 4.21Å; L101-L150 HydrophobicContact CB-CD2 4.17Å; L101-L150 HydrophobicContact CB-CG 4.13Å; T114-L150 HydrophobicContact CG2-CD1 3.68Å; A148-L150 PolarHBondContact O-N 3.23Å
151D68.8Low75Confident102 Ų10274.7 Ų74.755%0.54544%0.438SS..  trans71.3118.5-176.3-132.3-13.6000115.2T18T18-D151 WeakPolarHBondContact CB-OD2 3.44Å; T18-D151 WeakPolarHBondContact OG1-CB 3.46Å; T18-D151 PolarHBondContact OG1-OD2 3.07Å
152A51.7Low73.5Confident73 Ų7373.8 Ų73.860%0.60344%0.44SS*.  trans-112.60.9-166.900000114L149L149-A152 HydrophobicContact CD2-CB 3.58Å; L149-A152 HydrophobicContact CG-CB 4.4Å
153D43Very low72Confident141 Ų14175.3 Ų75.375%0.75446%0.458SS*.  trans-120.686-177.5-85.3-26000111.4G155D153-G155 VanDerWaalsContact C-N 3.3Å
154K35.5Very low70.3Confident173 Ų17377.5 Ų77.575%0.75247%0.47SS*.  trans-91.978141.7-71-167.9-177.2177.50106.9D22D22-K154 IonicContact OD1-NZ 2.69Å; D22-K154 PolarHBondContact OD1-NZ 3.34Å; D22-K154 IonicContact OD2-NZ 2.78Å; D22-K154 PolarHBondContact OD2-NZ 3.31Å
155G30.8Very low68.6Low134 Ų13483.5 Ų83.5100%1.38151%0.506SS*.  trans-144.10173.300000109.3D153D153-G155 VanDerWaalsContact C-N 3.3Å

Retrieved 155 of 155 residues in 285.8 ms (Link to these results)

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