A0A077ZLV0_TRITR Loading...

Thioredoxin

AlphaFold DB , UniProt , Accession A0A077ZLV0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 104 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
1M89.2Confident95.7Very high110 Ų11069.9 Ų69.954%0.54234%0.339SS..  0149.6060.6-171.1-88.900110.6M3 L11 V49 V50 G51 K52M1-M3 HydrophobicContact CE-CE 4.08Å; M1-M3 HydrophobicContact CE-CG 3.86Å; M1-M3 HydrophobicContact CG-CE 3.95Å; M1-M3 HydrophobicContact CG-CG 4.19Å; M1-M3 HydrophobicContact SD-CE 3.93Å; M1-L11 HydrophobicContact CE-CD1 3.54Å; M1-L11 HydrophobicContact SD-CD1 4.32Å; M1-V49 HydrophobicContact SD-CG1 4.39Å; M1-V50 PolarHBondContact N-O 3.06Å; M1-G51 CarbonylContact O-C 3.49Å; M1-G51 WeakPolarHBondContact O-CA 3.41Å; M1-K52 PolarHBondContact O-N 2.88Å
2N94.2Very high95.8Very high98 Ų9865.3 Ų65.352%0.52432%0.317SS..BIsolated β-bridgetrans-84.7138.6166.8-70.5-23.8000109.3K52N2-K52 CarbonylContact C-O 3.48Å; N2-K52 WeakPolarHBondContact CA-O 3.43Å
3M95.9Very high95.8Very high9 Ų975.2 Ų75.24%0.04435%0.348CS..  trans-118.5138.7-178-57.4-175.8-179.400110M1 Q7 L11 V18 V20 V49 K52 I53M1-M3 HydrophobicContact CE-CE 4.08Å; M1-M3 HydrophobicContact CE-CG 3.86Å; M1-M3 HydrophobicContact CG-CE 3.95Å; M1-M3 HydrophobicContact CG-CG 4.19Å; M1-M3 HydrophobicContact SD-CE 3.93Å; M3-Q7 HydrophobicContact CB-CB 4.46Å; M3-L11 HydrophobicContact CE-CD1 3.66Å; M3-L11 HydrophobicContact CG-CD1 4.48Å; M3-L11 HydrophobicContact SD-CD1 3.93Å; M3-V18 HydrophobicContact CE-CG1 3.8Å; M3-V20 HydrophobicContact SD-CG2 4.49Å; M3-V49 HydrophobicContact CE-CG1 3.98Å; M3-K52 PolarHBondContact N-O 3.42Å; M3-I53 HydrophobicContact CB-CD1 4.43Å; M3-I53 HydrophobicContact CB-CG1 3.98Å
4N96.8Very high95.7Very high67 Ų6775.6 Ų75.636%0.35835%0.351SS..  trans-93.5175.8163.569.528.7000111.2E6 Q7 F8 E58N4-E6 VanDerWaalsContact C-N 3.29Å; N4-E6 PolarHBondContact O-N 2.91Å; N4-E6 PolarHBondContact OD1-N 3.47Å; N4-E6 VanDerWaalsContact OD1-N 3.09Å; N4-Q7 PolarHBondContact O-N 3.13Å; N4-Q7 WeakPolarHBondContact OD1-CG 3.49Å; N4-Q7 PolarHBondContact OD1-N 2.88Å; N4-F8 WeakPolarHBondContact O-CB 3.39Å; N4-F8 PolarHBondContact O-N 2.81Å; N4-E58 WeakPolarHBondContact CA-OE1 3.44Å; N4-E58 WeakPolarHBondContact CB-OE1 3.43Å
5Q95.9Very high95.4Very high58 Ų5882.7 Ų82.727%0.27138%0.384SS..Hα-helixtrans-55.9-39.1-178.5-177.1177.210.600114.4K9 E58 L61Q5-K9 HydrophobicContact CG-CD 4.38Å; Q5-K9 VanDerWaalsContact NE2-CE 3.32Å; Q5-K9 VanDerWaalsContact NE2-NZ 3.13Å; Q5-K9 VanDerWaalsContact O-CG 3.3Å; Q5-K9 WeakPolarHBondContact O-CG 3.3Å; Q5-K9 PolarHBondContact O-N 3.24Å; Q5-K9 VanDerWaalsContact O-N 3.1Å; Q5-E58 PolarHBondContact N-OE1 3.34Å; Q5-L61 HydrophobicContact CB-CD2 4.41Å
6E96.4Very high95.5Very high119 Ų11983.4 Ų83.456%0.55639%0.385SS*.Hα-helixtrans-75.6-42.3-176.9-64-56.3116.700111.6N4 F8 K9 Q10N4-E6 VanDerWaalsContact C-N 3.29Å; N4-E6 PolarHBondContact O-N 2.91Å; N4-E6 PolarHBondContact OD1-N 3.47Å; N4-E6 VanDerWaalsContact OD1-N 3.09Å; E6-F8 VanDerWaalsContact C-N 3.33Å; E6-F8 PolarHBondContact O-N 3.07Å; E6-K9 PolarHBondContact O-N 3.37Å; E6-K9 IonicContact OE1-NZ 2.81Å; E6-K9 PolarHBondContact OE1-NZ 3.1Å; E6-Q10 PolarHBondContact O-N 3.29Å
7Q97.4Very high95.6Very high81 Ų8179.5 Ų79.538%0.37937%0.369SS..Hα-helixtrans-60.4-44.5173.1-71.2172-41.200111.2M3 N4 Q10 L11M3-Q7 HydrophobicContact CB-CB 4.46Å; N4-Q7 PolarHBondContact O-N 3.13Å; N4-Q7 WeakPolarHBondContact OD1-CG 3.49Å; N4-Q7 PolarHBondContact OD1-N 2.88Å; Q7-Q10 PolarHBondContact O-N 3.37Å; Q7-L11 WeakPolarHBondContact O-CB 3.25Å; Q7-L11 VanDerWaalsContact O-CG 3.25Å; Q7-L11 WeakPolarHBondContact O-CG 3.37Å; Q7-L11 PolarHBondContact O-N 2.91Å
8F97.8Very high95.8Very high4 Ų475.1 Ų75.12%0.01835%0.349CS..Hα-helixtrans-56.3-54.3175.9168.7-101.7000111.2N4 E6 Q10 L11 I12 V20 I53 L61 E65 Y76N4-F8 WeakPolarHBondContact O-CB 3.39Å; N4-F8 PolarHBondContact O-N 2.81Å; E6-F8 VanDerWaalsContact C-N 3.33Å; E6-F8 PolarHBondContact O-N 3.07Å; F8-Q10 VanDerWaalsContact C-N 3.25Å; F8-Q10 PolarHBondContact O-N 3.1Å; F8-L11 PolarHBondContact O-N 3.11Å; F8-I12 HydrophobicContact CD1-CD1 4.41Å; F8-I12 HydrophobicContact CD2-CG2 3.79Å; F8-I12 HydrophobicContact CE1-CD1 3.82Å; F8-I12 HydrophobicContact CE2-CD1 4.43Å; F8-I12 HydrophobicContact CE2-CG2 3.54Å; F8-I12 HydrophobicContact CG-CG2 4.49Å; F8-I12 HydrophobicContact CZ-CD1 3.85Å; F8-I12 HydrophobicContact CZ-CG2 4.04Å; F8-I12 WeakPolarHBondContact O-CG1 3.43Å; F8-I12 WeakPolarHBondContact O-CG2 3.36Å; F8-I12 PolarHBondContact O-N 3.22Å; F8-V20 HydrophobicContact CD2-CG2 4.23Å; F8-V20 HydrophobicContact CE2-CG2 4.17Å; F8-I53 HydrophobicContact CB-CD1 4.02Å; F8-I53 HydrophobicContact CD2-CD1 3.69Å; F8-I53 HydrophobicContact CE2-CD1 4.38Å; F8-I53 HydrophobicContact CG-CD1 3.96Å; F8-L61 HydrophobicContact CB-CD2 4.07Å; F8-L61 HydrophobicContact CD1-CD1 3.64Å; F8-L61 HydrophobicContact CD1-CD2 3.8Å; F8-L61 HydrophobicContact CD1-CG 4.35Å; F8-L61 HydrophobicContact CE1-CD1 3.58Å; F8-L61 HydrophobicContact CE1-CD2 4.42Å; F8-L61 HydrophobicContact CG-CD2 3.92Å; F8-L61 HydrophobicContact CZ-CD1 4.41Å; F8-E65 HydrophobicContact CZ-CG 4.33Å; F8-Y76 HydrophobicContact CE2-CD1 4.38Å; F8-Y76 HydrophobicContact CE2-CD2 4.09Å; F8-Y76 AromaticContact CE2-CE1 3.98Å; F8-Y76 HydrophobicContact CE2-CE1 3.98Å; F8-Y76 AromaticContact CE2-CE2 3.63Å; F8-Y76 HydrophobicContact CE2-CE2 3.63Å; F8-Y76 HydrophobicContact CE2-CG 4.44Å; F8-Y76 AromaticContact CE2-CZ 3.58Å; F8-Y76 HydrophobicContact CZ-CD1 4.22Å; F8-Y76 AromaticContact CZ-CE1 3.63Å; F8-Y76 HydrophobicContact CZ-CE1 3.63Å; F8-Y76 HydrophobicContact CZ-CE2 4.12Å; F8-Y76 AromaticContact CZ-CZ 3.57Å
9K96.2Very high95.9Very high73 Ų7371.1 Ų71.132%0.31733%0.33SS..Hα-helixtrans-58.6-35.8-179.4-74.7171.5-171.6160.10113.3Q5 E6 R13Q5-K9 HydrophobicContact CG-CD 4.38Å; Q5-K9 VanDerWaalsContact NE2-CE 3.32Å; Q5-K9 VanDerWaalsContact NE2-NZ 3.13Å; Q5-K9 VanDerWaalsContact O-CG 3.3Å; Q5-K9 WeakPolarHBondContact O-CG 3.3Å; Q5-K9 PolarHBondContact O-N 3.24Å; Q5-K9 VanDerWaalsContact O-N 3.1Å; E6-K9 PolarHBondContact O-N 3.37Å; E6-K9 IonicContact OE1-NZ 2.81Å; E6-K9 PolarHBondContact OE1-NZ 3.1Å; K9-R13 WeakPolarHBondContact O-CD 3.36Å; K9-R13 WeakPolarHBondContact O-CG 3.41Å
10Q96.6Very high96Very high126 Ų12667.6 Ų67.659%0.58931%0.314SS*.Hα-helixtrans-70.5-56.1177-177.5-176.7-36.700110.6E6 Q7 F8 I12 R13E6-Q10 PolarHBondContact O-N 3.29Å; Q7-Q10 PolarHBondContact O-N 3.37Å; F8-Q10 VanDerWaalsContact C-N 3.25Å; F8-Q10 PolarHBondContact O-N 3.1Å; Q10-I12 PolarHBondContact O-N 2.72Å; Q10-R13 PolarHBondContact O-N 3.07Å; Q10-R13 VanDerWaalsContact O-N 3.13Å
11L96.8Very high96.2Very high24 Ų2464.3 Ų64.313%0.12630%0.299CS..Hα-helixtrans-62.3-40.6-171.8-71.2168.5000112.5M1 M3 Q7 F8 R13 E14 V18 V49M1-L11 HydrophobicContact CE-CD1 3.54Å; M1-L11 HydrophobicContact SD-CD1 4.32Å; M3-L11 HydrophobicContact CE-CD1 3.66Å; M3-L11 HydrophobicContact CG-CD1 4.48Å; M3-L11 HydrophobicContact SD-CD1 3.93Å; Q7-L11 WeakPolarHBondContact O-CB 3.25Å; Q7-L11 VanDerWaalsContact O-CG 3.25Å; Q7-L11 WeakPolarHBondContact O-CG 3.37Å; Q7-L11 PolarHBondContact O-N 2.91Å; F8-L11 PolarHBondContact O-N 3.11Å; L11-R13 PolarHBondContact O-N 3.43Å; L11-R13 VanDerWaalsContact O-N 3.1Å; L11-E14 WeakPolarHBondContact O-CB 3.19Å; L11-E14 PolarHBondContact O-N 2.84Å; L11-V18 HydrophobicContact CB-CG2 4.24Å; L11-V18 WeakPolarHBondContact O-CG2 3.37Å; L11-V49 HydrophobicContact CD1-CG1 4.4Å; L11-V49 HydrophobicContact CD2-CG1 4.45Å
12I96.8Very high96.6Very high15 Ų1559.1 Ų59.18%0.07727%0.273CS..THydrogen-bonded Turntrans-64.9-18.2-178.866.4173.9000113.2F8 Q10 V18 Y76 G79F8-I12 HydrophobicContact CD1-CD1 4.41Å; F8-I12 HydrophobicContact CD2-CG2 3.79Å; F8-I12 HydrophobicContact CE1-CD1 3.82Å; F8-I12 HydrophobicContact CE2-CD1 4.43Å; F8-I12 HydrophobicContact CE2-CG2 3.54Å; F8-I12 HydrophobicContact CG-CG2 4.49Å; F8-I12 HydrophobicContact CZ-CD1 3.85Å; F8-I12 HydrophobicContact CZ-CG2 4.04Å; F8-I12 WeakPolarHBondContact O-CG1 3.43Å; F8-I12 WeakPolarHBondContact O-CG2 3.36Å; F8-I12 PolarHBondContact O-N 3.22Å; Q10-I12 PolarHBondContact O-N 2.72Å; I12-V18 HydrophobicContact CG2-CB 4.22Å; I12-V18 HydrophobicContact CG2-CG2 4.19Å; I12-Y76 HydrophobicContact CB-CG 4.42Å; I12-Y76 HydrophobicContact CG2-CD1 4.14Å; I12-Y76 HydrophobicContact CG2-CD2 4.15Å; I12-Y76 HydrophobicContact CG2-CG 3.75Å; I12-G79 VanDerWaalsContact O-CA 3.25Å; I12-G79 WeakPolarHBondContact O-CA 3.25Å; I12-G79 PolarHBondContact O-N 2.89Å
13R95.2Very high96.8Very high193 Ų19356.4 Ų56.473%0.72826%0.256SS*.THydrogen-bonded Turntrans-91.3-8.5178.5-64.2178.6-175.8-166.71113K9 Q10 L11K9-R13 WeakPolarHBondContact O-CD 3.36Å; K9-R13 WeakPolarHBondContact O-CG 3.41Å; Q10-R13 PolarHBondContact O-N 3.07Å; Q10-R13 VanDerWaalsContact O-N 3.13Å; L11-R13 PolarHBondContact O-N 3.43Å; L11-R13 VanDerWaalsContact O-N 3.1Å
14E94.6Very high96.9Very high81 Ų8156 Ų5638%0.37925%0.253SS..SBendtrans-72.7169.9175-61.7-177.3-175.100110.7L11L11-E14 WeakPolarHBondContact O-CB 3.19Å; L11-E14 PolarHBondContact O-N 2.84Å
15E92Very high96.9Very high183 Ų18355.7 Ų55.786%0.85526%0.255SS*.SBendtrans-67.1-37.8-176.1-175.7178.4-17800112.5
16K95.6Very high96.9Very high93 Ų9360.5 Ų60.540%0.40427%0.271SS..SBendtrans-74129.9-180-70.9-168.1178.7-162.90110.5D46 V49K16-D46 WeakPolarHBondContact CE-O 3.2Å; K16-D46 PolarHBondContact NZ-O 3.31Å; K16-V49 HydrophobicContact CB-CG2 4.08Å
17P97.8Very high96.9Very high17 Ų1755.4 Ų55.411%0.1125%0.248CC..  trans-58.4148.9171.6-18.428.5000111.6S47 L48 V49 L75 Y76 R77 L102P17-S47 WeakPolarHBondContact CD-O 3.36Å; P17-L48 HydrophobicContact CB-CD2 3.7Å; P17-L48 HydrophobicContact CG-CD2 4.2Å; P17-L48 WeakPolarHBondContact O-CA 3.46Å; P17-V49 PolarHBondContact O-N 3.2Å; P17-L75 HydrophobicContact CB-CD1 4.42Å; P17-Y76 CarbonylContact C-O 3.56Å; P17-Y76 WeakPolarHBondContact CA-O 3.4Å; P17-Y76 WeakPolarHBondContact CB-O 3.5Å; P17-R77 HydrophobicContact CB-CB 4.44Å; P17-R77 HydrophobicContact CG-CG 4.28Å; P17-L102 HydrophobicContact CB-CD2 4.16Å; P17-L102 HydrophobicContact CG-CD2 3.9Å
18V98.6Very high96.8Very high0 Ų053.3 Ų53.30%025%0.249CC..EExtended strand (participates in β ladder)trans-116120.5-177.3-169.90000109.5M3 L11 I12 V20 V49 L75 Y76M3-V18 HydrophobicContact CE-CG1 3.8Å; L11-V18 HydrophobicContact CB-CG2 4.24Å; L11-V18 WeakPolarHBondContact O-CG2 3.37Å; I12-V18 HydrophobicContact CG2-CB 4.22Å; I12-V18 HydrophobicContact CG2-CG2 4.19Å; V18-V20 HydrophobicContact CG1-CG2 3.76Å; V18-V49 CarbonylContact C-O 3.49Å; V18-V49 VanDerWaalsContact CA-O 3.26Å; V18-V49 WeakPolarHBondContact CA-O 3.49Å; V18-V49 HydrophobicContact CB-CB 4.46Å; V18-V49 HydrophobicContact CG1-CB 4.2Å; V18-V49 HydrophobicContact CG1-CG1 4.22Å; V18-V49 HydrophobicContact CG2-CB 4.13Å; V18-L75 CarbonylContact O-C 3.6Å; V18-Y76 PolarHBondContact N-O 2.87Å; V18-Y76 PolarHBondContact O-N 3.35Å
19L98.6Very high96.7Very high0 Ų056.9 Ų56.90%026%0.263CS..EExtended strand (participates in β ladder)trans-92.8124.9167.9-176.366.9000108.6Y37 I40 L48 V49 V50 G51 L73 L75 I94 F97 I98L19-Y37 HydrophobicContact CD2-CD2 4.49Å; L19-Y37 HydrophobicContact CD2-CE2 3.66Å; L19-Y37 HydrophobicContact CG-CE2 3.9Å; L19-Y37 PolarHBondContact O-OH 3.22Å; L19-I40 HydrophobicContact CD2-CG2 3.89Å; L19-L48 HydrophobicContact CB-CD1 4.48Å; L19-V49 PolarHBondContact N-O 3.5Å; L19-V50 HydrophobicContact CB-CG2 4.31Å; L19-G51 PolarHBondContact O-N 2.9Å; L19-L73 HydrophobicContact CD1-CB 4.27Å; L19-L75 HydrophobicContact CB-CD1 4.04Å; L19-L75 HydrophobicContact CD1-CB 4.4Å; L19-L75 HydrophobicContact CD1-CD1 4.13Å; L19-I94 HydrophobicContact CD2-CG2 4.33Å; L19-F97 HydrophobicContact CD1-CD1 4.34Å; L19-F97 HydrophobicContact CD1-CE1 3.71Å; L19-I98 HydrophobicContact CD2-CD1 3.75Å; L19-I98 HydrophobicContact CD2-CG1 4.09Å
20V98.7Very high96.7Very high0 Ų053.5 Ų53.50%025%0.248CC..EExtended strand (participates in β ladder)trans-119.6125.5-178.7-177.20000110.8M3 F8 V18 F22 G51 I53 L73 V74 Y76M3-V20 HydrophobicContact SD-CG2 4.49Å; F8-V20 HydrophobicContact CD2-CG2 4.23Å; F8-V20 HydrophobicContact CE2-CG2 4.17Å; V18-V20 HydrophobicContact CG1-CG2 3.76Å; V20-F22 HydrophobicContact CB-CE2 4.07Å; V20-F22 HydrophobicContact CG1-CD2 4Å; V20-F22 HydrophobicContact CG1-CE1 4.43Å; V20-F22 HydrophobicContact CG1-CE2 3.67Å; V20-F22 HydrophobicContact CG1-CZ 3.91Å; V20-G51 CarbonylContact C-O 3.52Å; V20-G51 VanDerWaalsContact CA-O 3.29Å; V20-G51 WeakPolarHBondContact CA-O 3.16Å; V20-I53 HydrophobicContact CG1-CB 4.22Å; V20-I53 HydrophobicContact CG1-CD1 3.65Å; V20-I53 HydrophobicContact CG1-CG1 3.67Å; V20-L73 CarbonylContact O-C 3.53Å; V20-L73 VanDerWaalsContact O-CA 3.27Å; V20-L73 WeakPolarHBondContact O-CA 3.37Å; V20-V74 PolarHBondContact N-O 3.04Å; V20-V74 PolarHBondContact O-N 3.44Å; V20-Y76 HydrophobicContact CB-CD2 4.41Å; V20-Y76 HydrophobicContact CB-CE2 3.96Å; V20-Y76 HydrophobicContact CG2-CD2 3.81Å; V20-Y76 HydrophobicContact CG2-CE2 3.73Å
21D98.6Very high96.7Very high0 Ų054.3 Ų54.30%025%0.246CC..EExtended strand (participates in β ladder)trans-91.8108.3167.4176.725.5000110.8W23 Y37 G51 K52 I53 P71 L73D21-W23 PolarHBondContact O-N 3.25Å; D21-Y37 HydrophobicContact CB-CD1 4.22Å; D21-Y37 HydrophobicContact CB-CD2 4.32Å; D21-Y37 HydrophobicContact CB-CE1 3.76Å; D21-Y37 HydrophobicContact CB-CE2 3.88Å; D21-Y37 HydrophobicContact CB-CG 4.48Å; D21-Y37 PolarHBondContact N-OH 3.34Å; D21-Y37 VanDerWaalsContact N-OH 3.17Å; D21-G51 PolarHBondContact N-O 3.06Å; D21-K52 HydrophobicContact CB-CB 4.45Å; D21-K52 HydrophobicContact CB-CG 4.2Å; D21-K52 CarbonylContact O-C 3.57Å; D21-K52 VanDerWaalsContact O-CA 3.26Å; D21-K52 WeakPolarHBondContact O-CA 3.47Å; D21-K52 WeakPolarHBondContact OD2-CE 3.37Å; D21-K52 IonicContact OD2-NZ 2.75Å; D21-I53 PolarHBondContact O-N 3.46Å; D21-P71 WeakPolarHBondContact OD1-CB 3.26Å; D21-L73 HydrophobicContact CB-CD2 3.48Å; D21-L73 VanDerWaalsContact CB-CD2 3.48Å; D21-L73 WeakPolarHBondContact OD1-CD2 3.4Å
22F98.7Very high96.6Very high0 Ų062.9 Ų62.90%028%0.276CS..EExtended strand (participates in β ladder)trans-83.3111.4169.3-67.2-90.4000109.6V20 I53 I55 E65 I67 I70 P71 T72 V74 Y76V20-F22 HydrophobicContact CB-CE2 4.07Å; V20-F22 HydrophobicContact CG1-CD2 4Å; V20-F22 HydrophobicContact CG1-CE1 4.43Å; V20-F22 HydrophobicContact CG1-CE2 3.67Å; V20-F22 HydrophobicContact CG1-CZ 3.91Å; F22-I53 WeakPolarHBondContact CA-O 3.48Å; F22-I53 HydrophobicContact CD1-CB 3.83Å; F22-I53 HydrophobicContact CD1-CG2 3.92Å; F22-I53 HydrophobicContact CE1-CB 3.96Å; F22-I53 HydrophobicContact CE1-CD1 3.85Å; F22-I53 HydrophobicContact CE1-CG1 4.41Å; F22-I53 HydrophobicContact CE1-CG2 3.96Å; F22-I53 HydrophobicContact CZ-CD1 4.11Å; F22-I55 HydrophobicContact CB-CG2 4.13Å; F22-I55 HydrophobicContact CD1-CG2 4.43Å; F22-E65 HydrophobicContact CE1-CB 4.39Å; F22-E65 HydrophobicContact CE1-CG 4.31Å; F22-E65 HydrophobicContact CZ-CB 4.05Å; F22-E65 HydrophobicContact CZ-CG 3.9Å; F22-I67 HydrophobicContact CB-CD1 4.29Å; F22-I67 HydrophobicContact CB-CG1 4.11Å; F22-I67 HydrophobicContact CB-CG2 3.85Å; F22-I67 HydrophobicContact CD1-CD1 4.3Å; F22-I67 HydrophobicContact CD1-CG1 3.74Å; F22-I67 HydrophobicContact CD2-CD1 3.57Å; F22-I67 HydrophobicContact CD2-CG1 3.96Å; F22-I67 HydrophobicContact CE1-CG1 4.08Å; F22-I67 HydrophobicContact CE2-CD1 3.88Å; F22-I67 HydrophobicContact CE2-CG1 4.29Å; F22-I67 HydrophobicContact CG-CD1 3.8Å; F22-I67 HydrophobicContact CG-CG1 3.67Å; F22-I67 HydrophobicContact CG-CG2 4.36Å; F22-I67 HydrophobicContact CZ-CD1 4.36Å; F22-I67 HydrophobicContact CZ-CG1 4.35Å; F22-I70 WeakPolarHBondContact O-CG2 3.39Å; F22-P71 VanDerWaalsContact O-CA 3.28Å; F22-P71 WeakPolarHBondContact O-CA 3.47Å; F22-T72 PolarHBondContact N-O 3.31Å; F22-T72 PolarHBondContact O-N 3.09Å; F22-V74 HydrophobicContact CD2-CG2 3.94Å; F22-V74 HydrophobicContact CE2-CB 4.11Å; F22-V74 HydrophobicContact CE2-CG2 3.71Å; F22-Y76 HydrophobicContact CE2-CE2 4.36Å; F22-Y76 WeakPolarHBondContact CE2-OH 3.35Å; F22-Y76 WeakPolarHBondContact CZ-OH 3.24Å
23W98.3Very high96.6Very high41 Ų4162.8 Ų62.816%0.15528%0.276CS..EExtended strand (participates in β ladder)trans-141177.8-168.282.1-66.4000112.1D21 P25 C30 I53 N54 I55D21-W23 PolarHBondContact O-N 3.25Å; W23-P25 HydrophobicContact CH2-CB 4.49Å; W23-P25 HydrophobicContact CZ3-CB 4.44Å; W23-C30 HydrophobicContact CB-CB 4.06Å; W23-C30 HydrophobicContact CE3-CB 4.17Å; W23-I53 PolarHBondContact N-O 2.93Å; W23-N54 WeakPolarHBondContact O-CA 3.39Å; W23-I55 PolarHBondContact O-N 3.49Å
24A98Very high96.7Very high0 Ų053.8 Ų53.80%024%0.244CC..  trans-149152.5170.100000111.2W26 C27 I55 I70A24-W26 VanDerWaalsContact C-N 3.3Å; A24-W26 HydrophobicContact CB-CD2 3.99Å; A24-W26 VanDerWaalsContact CB-CE2 3.4Å; A24-W26 HydrophobicContact CB-CG 4.28Å; A24-W26 HydrophobicContact CB-CZ2 3.72Å; A24-W26 VanDerWaalsContact CB-NE1 3.34Å; A24-W26 PolarHBondContact O-N 3.36Å; A24-C27 WeakPolarHBondContact O-CB 3.45Å; A24-C27 PolarHBondContact O-N 2.98Å; A24-C27 VanDerWaalsContact O-N 3.16Å; A24-I55 HydrophobicContact CB-CG1 4.04Å; A24-I70 HydrophobicContact CB-CD1 3.49Å; A24-I70 VanDerWaalsContact CB-CD1 3.49Å
25P96.3Very high96.8Very high61 Ų6153.8 Ų53.840%0.39625%0.251SS..THydrogen-bonded Turntrans-65.3-30.2-176.324.3-34.2000113.8W23 C27 R31W23-P25 HydrophobicContact CH2-CB 4.49Å; W23-P25 HydrophobicContact CZ3-CB 4.44Å; P25-C27 VanDerWaalsContact C-N 3.29Å; P25-C27 PolarHBondContact O-N 2.9Å; P25-R31 PolarHBondContact O-NH1 2.93Å
26W96.7Very high97Very high160 Ų16046.1 Ų46.161%0.60622%0.219SC*.THydrogen-bonded Turntrans-74.7-18178.450-100.5000113.1A24 G28 R31 I55 D56 I70A24-W26 VanDerWaalsContact C-N 3.3Å; A24-W26 HydrophobicContact CB-CD2 3.99Å; A24-W26 VanDerWaalsContact CB-CE2 3.4Å; A24-W26 HydrophobicContact CB-CG 4.28Å; A24-W26 HydrophobicContact CB-CZ2 3.72Å; A24-W26 VanDerWaalsContact CB-NE1 3.34Å; A24-W26 PolarHBondContact O-N 3.36Å; W26-G28 PolarHBondContact O-N 2.83Å; W26-G28 VanDerWaalsContact O-N 3.14Å; W26-R31 PolarHBondContact O-NH1 2.79Å; W26-I55 HydrophobicContact CZ2-CD1 4.27Å; W26-D56 VanDerWaalsContact CD1-OD2 3.26Å; W26-D56 PolarHBondContact NE1-OD1 3.22Å; W26-D56 PolarHBondContact NE1-OD2 2.91Å; W26-I70 HydrophobicContact CH2-CD1 3.48Å; W26-I70 VanDerWaalsContact CH2-CD1 3.48Å; W26-I70 HydrophobicContact CH2-CG1 4.12Å; W26-I70 HydrophobicContact CZ2-CD1 3.77Å; W26-I70 HydrophobicContact CZ3-CD1 3.96Å
27C96.4Very high97.1Very high11 Ų1142 Ų427%0.07420%0.2CC..  trans-74.6103.1-178.9169.80000111.6A24 P25 Y29 C30 R31 I70A24-C27 WeakPolarHBondContact O-CB 3.45Å; A24-C27 PolarHBondContact O-N 2.98Å; A24-C27 VanDerWaalsContact O-N 3.16Å; P25-C27 VanDerWaalsContact C-N 3.29Å; P25-C27 PolarHBondContact O-N 2.9Å; C27-Y29 VanDerWaalsContact C-N 3.26Å; C27-Y29 PolarHBondContact O-N 2.89Å; C27-C30 HydrophobicContact CB-CB 3.64Å; C27-C30 WeakPolarHBondContact CB-SG 3.2Å; C27-C30 WeakPolarHBondContact O-CB 3.37Å; C27-C30 PolarHBondContact O-N 2.79Å; C27-C30 WeakPolarHBondContact SG-CB 3.23Å; C27-C30 PolarHBondContact SG-N 3.26Å; C27-C30 CovalentContact SG-SG 2.05Å; C27-C30 PolarHBondContact SG-SG 2.85Å; C27-R31 PolarHBondContact O-N 3.06Å; C27-I70 HydrophobicContact CB-CD1 3.66Å; C27-I70 HydrophobicContact CB-CG1 4.25Å
28G94.7Very high97Very high38 Ų3847 Ų4739%0.39222%0.222SC..Hα-helixtrans-61-32.8-179.900000114W26 R32W26-G28 PolarHBondContact O-N 2.83Å; W26-G28 VanDerWaalsContact O-N 3.14Å; G28-R32 PolarHBondContact O-N 3.1Å
29Y95.3Very high97Very high79 Ų7951.2 Ų51.231%0.3124%0.241SC..Hα-helixtrans-67.5-45.9174.7-171.1-78.8000111.6C27 R31 R32 I33 P71 A87 P88 G89C27-Y29 VanDerWaalsContact C-N 3.26Å; C27-Y29 PolarHBondContact O-N 2.89Å; Y29-R31 VanDerWaalsContact C-N 3.26Å; Y29-R31 PolarHBondContact O-N 2.59Å; Y29-R32 WeakPolarHBondContact O-CA 3.19Å; Y29-R32 WeakPolarHBondContact O-CB 3.28Å; Y29-R32 PolarHBondContact O-N 3.44Å; Y29-I33 HydrophobicContact CD1-CG2 4.42Å; Y29-I33 HydrophobicContact CE1-CB 4.33Å; Y29-I33 HydrophobicContact CE1-CG2 4.34Å; Y29-I33 PolarHBondContact O-N 3.44Å; Y29-P71 HydrophobicContact CD1-CG 3.58Å; Y29-P71 HydrophobicContact CE1-CG 3.81Å; Y29-A87 HydrophobicContact CE1-CB 3.95Å; Y29-A87 PolarHBondContact OH-O 2.85Å; Y29-P88 PolarHBondContact OH-O 3.07Å; Y29-G89 WeakPolarHBondContact OH-CA 3.45Å; Y29-G89 PolarHBondContact OH-N 2.6Å
30C96.9Very high97Very high1 Ų151.2 Ų51.21%0.00724%0.241CC..Hα-helixtrans-56.5-42178.3-53.40000111.3W23 C27 R32 G34 P71W23-C30 HydrophobicContact CB-CB 4.06Å; W23-C30 HydrophobicContact CE3-CB 4.17Å; C27-C30 HydrophobicContact CB-CB 3.64Å; C27-C30 WeakPolarHBondContact CB-SG 3.2Å; C27-C30 WeakPolarHBondContact O-CB 3.37Å; C27-C30 PolarHBondContact O-N 2.79Å; C27-C30 WeakPolarHBondContact SG-CB 3.23Å; C27-C30 PolarHBondContact SG-N 3.26Å; C27-C30 CovalentContact SG-SG 2.05Å; C27-C30 PolarHBondContact SG-SG 2.85Å; C30-R32 VanDerWaalsContact C-N 3.33Å; C30-R32 PolarHBondContact O-N 2.77Å; C30-G34 PolarHBondContact O-N 3.44Å; C30-P71 HydrophobicContact CB-CB 4.48Å; C30-P71 VanDerWaalsContact SG-CD 3.51Å
31R95.3Very high96.9Very high144 Ų14452.1 Ų52.154%0.54325%0.25SC..Hα-helixtrans-64.8-35.5174.5-63.7-164.9-55.9-86.30.6113P25 W26 C27 Y29 P35P25-R31 PolarHBondContact O-NH1 2.93Å; W26-R31 PolarHBondContact O-NH1 2.79Å; C27-R31 PolarHBondContact O-N 3.06Å; Y29-R31 VanDerWaalsContact C-N 3.26Å; Y29-R31 PolarHBondContact O-N 2.59Å; R31-P35 WeakPolarHBondContact O-CD 3.46Å
32R95.9Very high96.8Very high203 Ų20358 Ų5877%0.76628%0.278SS*.Hα-helixtrans-69.5-42.2-180-173.5-172.4-56.7-166.21.3112.3G28 Y29 C30 G34G28-R32 PolarHBondContact O-N 3.1Å; Y29-R32 WeakPolarHBondContact O-CA 3.19Å; Y29-R32 WeakPolarHBondContact O-CB 3.28Å; Y29-R32 PolarHBondContact O-N 3.44Å; C30-R32 VanDerWaalsContact C-N 3.33Å; C30-R32 PolarHBondContact O-N 2.77Å; R32-G34 VanDerWaalsContact C-N 3.34Å
33I96.6Very high96.7Very high13 Ų1362.6 Ų62.67%0.06730%0.299CS..Hα-helixtrans-80.9-17.7179.8-158.965.3000112.4Y29 A36 Y37 P71 P88 I94Y29-I33 HydrophobicContact CD1-CG2 4.42Å; Y29-I33 HydrophobicContact CE1-CB 4.33Å; Y29-I33 HydrophobicContact CE1-CG2 4.34Å; Y29-I33 PolarHBondContact O-N 3.44Å; I33-A36 HydrophobicContact CD1-CB 4.02Å; I33-A36 HydrophobicContact CG1-CB 4.48Å; I33-A36 WeakPolarHBondContact O-CA 3.27Å; I33-A36 WeakPolarHBondContact O-CB 3.36Å; I33-A36 PolarHBondContact O-N 2.83Å; I33-Y37 PolarHBondContact O-N 3.47Å; I33-P71 HydrophobicContact CG2-CG 4.04Å; I33-P88 VanDerWaalsContact CD1-O 3.3Å; I33-P88 WeakPolarHBondContact CD1-O 3.38Å; I33-I94 HydrophobicContact CD1-CD1 4.22Å; I33-I94 HydrophobicContact CG1-CD1 3.94Å
34G96.1Very high96.6Very high5 Ų562 Ų625%0.05230%0.297CS..Hα-helixtrans-44.9-52.2179.900000115C30 R32 A36 Y37 E38C30-G34 PolarHBondContact O-N 3.44Å; R32-G34 VanDerWaalsContact C-N 3.34Å; G34-A36 VanDerWaalsContact C-N 3.32Å; G34-A36 PolarHBondContact O-N 3.5Å; G34-Y37 WeakPolarHBondContact O-CB 3.14Å; G34-Y37 PolarHBondContact O-N 3.42Å; G34-Y37 VanDerWaalsContact O-N 3.1Å; G34-E38 WeakPolarHBondContact O-CG 3.12Å; G34-E38 PolarHBondContact O-N 2.97Å
35P96.7Very high96.5Very high81 Ų8164.6 Ų64.653%0.52632%0.318SS..Hα-helixtrans-61.7-35.6177.9-26.335.6000114.1R31 K39R31-P35 WeakPolarHBondContact O-CD 3.46Å; P35-K39 PolarHBondContact O-N 2.78Å; P35-K39 VanDerWaalsContact O-N 3.07Å
36A97Very high96.5Very high22 Ų2268.7 Ų68.718%0.18234%0.337CS..Hα-helixtrans-67.4-40.3174.600000111I33 G34 K39 I40 K91I33-A36 HydrophobicContact CD1-CB 4.02Å; I33-A36 HydrophobicContact CG1-CB 4.48Å; I33-A36 WeakPolarHBondContact O-CA 3.27Å; I33-A36 WeakPolarHBondContact O-CB 3.36Å; I33-A36 PolarHBondContact O-N 2.83Å; G34-A36 VanDerWaalsContact C-N 3.32Å; G34-A36 PolarHBondContact O-N 3.5Å; A36-K39 PolarHBondContact O-N 2.74Å; A36-I40 WeakPolarHBondContact O-CG1 3.14Å; A36-I40 PolarHBondContact O-N 3.4Å; A36-K91 HydrophobicContact CB-CB 3.9Å; A36-K91 HydrophobicContact CB-CG 4.3Å
37Y97.4Very high96.4Very high5 Ų563.8 Ų63.82%0.0233%0.327CS..Hα-helixtrans-66.1-39.2176.5-171.6-97.8000112.6L19 D21 I33 G34 K39 I40 G41 V50 G51 K52 L73 I94L19-Y37 HydrophobicContact CD2-CD2 4.49Å; L19-Y37 HydrophobicContact CD2-CE2 3.66Å; L19-Y37 HydrophobicContact CG-CE2 3.9Å; L19-Y37 PolarHBondContact O-OH 3.22Å; D21-Y37 HydrophobicContact CB-CD1 4.22Å; D21-Y37 HydrophobicContact CB-CD2 4.32Å; D21-Y37 HydrophobicContact CB-CE1 3.76Å; D21-Y37 HydrophobicContact CB-CE2 3.88Å; D21-Y37 HydrophobicContact CB-CG 4.48Å; D21-Y37 PolarHBondContact N-OH 3.34Å; D21-Y37 VanDerWaalsContact N-OH 3.17Å; I33-Y37 PolarHBondContact O-N 3.47Å; G34-Y37 WeakPolarHBondContact O-CB 3.14Å; G34-Y37 PolarHBondContact O-N 3.42Å; G34-Y37 VanDerWaalsContact O-N 3.1Å; Y37-K39 VanDerWaalsContact C-N 3.32Å; Y37-K39 PolarHBondContact O-N 2.81Å; Y37-I40 WeakPolarHBondContact O-CB 3.38Å; Y37-I40 PolarHBondContact O-N 3.11Å; Y37-G41 PolarHBondContact O-N 2.9Å; Y37-V50 HydrophobicContact CD1-CG1 4.14Å; Y37-V50 HydrophobicContact CE1-CG1 3.38Å; Y37-V50 HydrophobicContact CE2-CG1 4.22Å; Y37-V50 VanDerWaalsContact CZ-CG1 3.41Å; Y37-V50 WeakPolarHBondContact OH-CG1 3.48Å; Y37-G51 PolarHBondContact OH-O 3Å; Y37-K52 HydrophobicContact CD1-CG 4.41Å; Y37-K52 HydrophobicContact CE1-CG 3.94Å; Y37-L73 HydrophobicContact CD2-CD1 3.93Å; Y37-L73 HydrophobicContact CD2-CD2 3.9Å; Y37-L73 HydrophobicContact CE2-CD1 3.98Å; Y37-L73 HydrophobicContact CE2-CD2 3.68Å; Y37-L73 HydrophobicContact CE2-CG 4.42Å; Y37-I94 HydrophobicContact CD2-CD1 4.49Å
38E96.9Very high96.4Very high123 Ų12363.5 Ų63.558%0.57532%0.324SS*.Hα-helixtrans-60.7-43.2172.2-73.6167.7-172.200111G34 I40 G41 E42G34-E38 WeakPolarHBondContact O-CG 3.12Å; G34-E38 PolarHBondContact O-N 2.97Å; E38-I40 VanDerWaalsContact C-N 3.32Å; E38-I40 PolarHBondContact O-N 3.3Å; E38-G41 WeakPolarHBondContact O-CA 3.26Å; E38-G41 PolarHBondContact O-N 3.45Å; E38-E42 PolarHBondContact O-N 3.06Å; E38-E42 VanDerWaalsContact O-N 3.11Å
39K97.8Very high96.5Very high88 Ų8863 Ų6338%0.38331%0.314SS..Hα-helixtrans-63.1-38.1177.2-171.466.1-165164.70112.9P35 A36 Y37 G41 E42 E43 K91P35-K39 PolarHBondContact O-N 2.78Å; P35-K39 VanDerWaalsContact O-N 3.07Å; A36-K39 PolarHBondContact O-N 2.74Å; Y37-K39 VanDerWaalsContact C-N 3.32Å; Y37-K39 PolarHBondContact O-N 2.81Å; K39-G41 VanDerWaalsContact C-N 3.29Å; K39-G41 PolarHBondContact O-N 2.99Å; K39-E42 WeakPolarHBondContact CD-OE2 3.42Å; K39-E42 IonicContact NZ-OE2 2.74Å; K39-E42 PolarHBondContact NZ-OE2 3.29Å; K39-E42 PolarHBondContact O-N 3.48Å; K39-E43 WeakPolarHBondContact CE-OE1 3.4Å; K39-E43 HydrophobicContact CG-CG 4.46Å; K39-E43 WeakPolarHBondContact CG-OE1 3.29Å; K39-E43 WeakPolarHBondContact O-CG 3.27Å; K39-E43 PolarHBondContact O-N 2.95Å; K39-K91 HydrophobicContact CB-CD 4.12Å; K39-K91 HydrophobicContact CG-CD 3.94Å
40I97.7Very high96.6Very high0 Ų060.2 Ų60.20%031%0.305CS..Hα-helixtrans-59.3-42.8171.2-70.4-69.7000110.6L19 A36 Y37 E38 E42 E43 Y44 K91 I94 D95 I98L19-I40 HydrophobicContact CD2-CG2 3.89Å; A36-I40 WeakPolarHBondContact O-CG1 3.14Å; A36-I40 PolarHBondContact O-N 3.4Å; Y37-I40 WeakPolarHBondContact O-CB 3.38Å; Y37-I40 PolarHBondContact O-N 3.11Å; E38-I40 VanDerWaalsContact C-N 3.32Å; E38-I40 PolarHBondContact O-N 3.3Å; I40-E42 VanDerWaalsContact C-N 3.27Å; I40-E42 PolarHBondContact O-N 2.94Å; I40-E43 PolarHBondContact O-N 3.17Å; I40-Y44 HydrophobicContact CD1-CD2 4.34Å; I40-Y44 HydrophobicContact CD1-CE2 3.91Å; I40-Y44 HydrophobicContact CG2-CD2 4.02Å; I40-Y44 HydrophobicContact CG2-CE2 4.48Å; I40-Y44 WeakPolarHBondContact O-CB 3.28Å; I40-Y44 WeakPolarHBondContact O-CD2 3.15Å; I40-Y44 PolarHBondContact O-N 2.93Å; I40-K91 HydrophobicContact CD1-CD 4.37Å; I40-K91 HydrophobicContact CD1-CG 3.77Å; I40-K91 HydrophobicContact CG1-CG 3.87Å; I40-I94 HydrophobicContact CD1-CB 4.34Å; I40-I94 HydrophobicContact CD1-CG2 4.12Å; I40-I94 HydrophobicContact CG1-CB 4.2Å; I40-I94 HydrophobicContact CG1-CG2 3.81Å; I40-I94 HydrophobicContact CG2-CG2 4.22Å; I40-D95 VanDerWaalsContact CD1-OD1 3.31Å; I40-D95 WeakPolarHBondContact CD1-OD1 3.21Å; I40-I98 HydrophobicContact CD1-CD1 4.35Å; I40-I98 HydrophobicContact CG2-CD1 3.49Å; I40-I98 VanDerWaalsContact CG2-CD1 3.49Å
41G96.6Very high96.7Very high19 Ų1960.1 Ų60.120%0.19631%0.305CS..Hα-helixtrans-57.9-37.4175.400000113.9Y37 E38 K39 A45Y37-G41 PolarHBondContact O-N 2.9Å; E38-G41 WeakPolarHBondContact O-CA 3.26Å; E38-G41 PolarHBondContact O-N 3.45Å; K39-G41 VanDerWaalsContact C-N 3.29Å; K39-G41 PolarHBondContact O-N 2.99Å; G41-A45 PolarHBondContact O-N 2.88Å
42E97.2Very high96.8Very high124 Ų12454.5 Ų54.558%0.57928%0.284SS*.Hα-helixtrans-71.6-47.6174.9-63.5174.5-177.800112.3E38 K39 I40 Y44 A45E38-E42 PolarHBondContact O-N 3.06Å; E38-E42 VanDerWaalsContact O-N 3.11Å; K39-E42 WeakPolarHBondContact CD-OE2 3.42Å; K39-E42 IonicContact NZ-OE2 2.74Å; K39-E42 PolarHBondContact NZ-OE2 3.29Å; K39-E42 PolarHBondContact O-N 3.48Å; I40-E42 VanDerWaalsContact C-N 3.27Å; I40-E42 PolarHBondContact O-N 2.94Å; E42-Y44 VanDerWaalsContact C-N 3.33Å; E42-Y44 PolarHBondContact O-N 3.13Å; E42-A45 WeakPolarHBondContact O-CB 3.31Å; E42-A45 PolarHBondContact O-N 2.72Å
43E97.2Very high97Very high96 Ų9644.9 Ų44.945%0.44925%0.248SC..Hα-helixtrans-68.9-31.2-174.8-72.5173.8-178.900112.7K39 I40 K91K39-E43 WeakPolarHBondContact CE-OE1 3.4Å; K39-E43 HydrophobicContact CG-CG 4.46Å; K39-E43 WeakPolarHBondContact CG-OE1 3.29Å; K39-E43 WeakPolarHBondContact O-CG 3.27Å; K39-E43 PolarHBondContact O-N 2.95Å; I40-E43 PolarHBondContact O-N 3.17Å; E43-K91 IonicContact OE1-NZ 2.61Å; E43-K91 IonicContact OE2-NZ 3.56Å; E43-K91 PolarHBondContact OE2-NZ 2.9Å
44Y96.5Very high97Very high29 Ų2944.8 Ų44.811%0.11425%0.248CC..THydrogen-bonded Turntrans-104.514.2-179.9-68.9-101.8000113.2I40 E42 D46 S47 L48 D95 I98 Q99I40-Y44 HydrophobicContact CD1-CD2 4.34Å; I40-Y44 HydrophobicContact CD1-CE2 3.91Å; I40-Y44 HydrophobicContact CG2-CD2 4.02Å; I40-Y44 HydrophobicContact CG2-CE2 4.48Å; I40-Y44 WeakPolarHBondContact O-CB 3.28Å; I40-Y44 WeakPolarHBondContact O-CD2 3.15Å; I40-Y44 PolarHBondContact O-N 2.93Å; E42-Y44 VanDerWaalsContact C-N 3.33Å; E42-Y44 PolarHBondContact O-N 3.13Å; Y44-D46 PolarHBondContact O-N 2.94Å; Y44-S47 WeakPolarHBondContact CD1-OG 3.49Å; Y44-S47 PolarHBondContact O-N 3.27Å; Y44-S47 PolarHBondContact O-OG 2.96Å; Y44-L48 HydrophobicContact CD1-CD1 3.76Å; Y44-L48 HydrophobicContact CD1-CG 4.17Å; Y44-L48 HydrophobicContact CG-CD1 3.87Å; Y44-L48 HydrophobicContact CG-CG 4.4Å; Y44-L48 PolarHBondContact O-N 2.93Å; Y44-D95 WeakPolarHBondContact CE2-OD1 3.45Å; Y44-D95 PolarHBondContact OH-OD1 3.16Å; Y44-I98 HydrophobicContact CD1-CG2 4.05Å; Y44-I98 HydrophobicContact CD2-CD1 4.38Å; Y44-I98 HydrophobicContact CE1-CD1 4.48Å; Y44-I98 HydrophobicContact CE1-CG2 3.58Å; Y44-I98 HydrophobicContact CE2-CD1 4.2Å; Y44-Q99 PolarHBondContact OH-NE2 3.38Å
45A95.3Very high97.1Very high54 Ų5446.1 Ų46.145%0.44625%0.253SS..THydrogen-bonded Turntrans-55.2-31-174.500000114G41 E42G41-A45 PolarHBondContact O-N 2.88Å; E42-A45 WeakPolarHBondContact O-CB 3.31Å; E42-A45 PolarHBondContact O-N 2.72Å
46D95.7Very high97.2Very high148 Ų14846.3 Ų46.379%0.79125%0.249SC*.THydrogen-bonded Turntrans-77.4-30.3177.6-69.6-35.5000112.9K16 Y44K16-D46 WeakPolarHBondContact CE-O 3.2Å; K16-D46 PolarHBondContact NZ-O 3.31Å; Y44-D46 PolarHBondContact O-N 2.94Å
47S94.3Very high97.2Very high56 Ų5651.7 Ų51.739%0.39227%0.271SS..THydrogen-bonded Turntrans-107-21.8-170.858.20000114.8P17 Y44P17-S47 WeakPolarHBondContact CD-O 3.36Å; Y44-S47 WeakPolarHBondContact CD1-OG 3.49Å; Y44-S47 PolarHBondContact O-N 3.27Å; Y44-S47 PolarHBondContact O-OG 2.96Å
48L96.7Very high97.2Very high5 Ų553.1 Ų53.13%0.02628%0.278CS..  trans-133.4146.9-176.4-61.3-179.6000111.7P17 L19 Y44 V50 L75 I98 L102P17-L48 HydrophobicContact CB-CD2 3.7Å; P17-L48 HydrophobicContact CG-CD2 4.2Å; P17-L48 WeakPolarHBondContact O-CA 3.46Å; L19-L48 HydrophobicContact CB-CD1 4.48Å; Y44-L48 HydrophobicContact CD1-CD1 3.76Å; Y44-L48 HydrophobicContact CD1-CG 4.17Å; Y44-L48 HydrophobicContact CG-CD1 3.87Å; Y44-L48 HydrophobicContact CG-CG 4.4Å; Y44-L48 PolarHBondContact O-N 2.93Å; L48-V50 HydrophobicContact CB-CG2 4.02Å; L48-L75 HydrophobicContact CD2-CD1 4Å; L48-I98 HydrophobicContact CD1-CD1 3.96Å; L48-I98 HydrophobicContact CD1-CG1 4.32Å; L48-I98 HydrophobicContact CD1-CG2 3.82Å; L48-L102 HydrophobicContact CD2-CD1 4.43Å; L48-L102 HydrophobicContact CD2-CD2 4.15Å
49V97.4Very high97.3Very high27 Ų2751.2 Ų51.216%0.16428%0.276CS..EExtended strand (participates in β ladder)trans-88.9125156.9179.40000107.7M1 M3 L11 K16 P17 V18 L19M1-V49 HydrophobicContact SD-CG1 4.39Å; M3-V49 HydrophobicContact CE-CG1 3.98Å; L11-V49 HydrophobicContact CD1-CG1 4.4Å; L11-V49 HydrophobicContact CD2-CG1 4.45Å; K16-V49 HydrophobicContact CB-CG2 4.08Å; P17-V49 PolarHBondContact O-N 3.2Å; V18-V49 CarbonylContact C-O 3.49Å; V18-V49 VanDerWaalsContact CA-O 3.26Å; V18-V49 WeakPolarHBondContact CA-O 3.49Å; V18-V49 HydrophobicContact CB-CB 4.46Å; V18-V49 HydrophobicContact CG1-CB 4.2Å; V18-V49 HydrophobicContact CG1-CG1 4.22Å; V18-V49 HydrophobicContact CG2-CB 4.13Å; L19-V49 PolarHBondContact N-O 3.5Å
50V98.1Very high97.2Very high21 Ų2156.7 Ų56.713%0.12729%0.294CS..EExtended strand (participates in β ladder)trans-115122.6-178.4-178.30000110.4M1 L19 Y37 L48M1-V50 PolarHBondContact N-O 3.06Å; L19-V50 HydrophobicContact CB-CG2 4.31Å; Y37-V50 HydrophobicContact CD1-CG1 4.14Å; Y37-V50 HydrophobicContact CE1-CG1 3.38Å; Y37-V50 HydrophobicContact CE2-CG1 4.22Å; Y37-V50 VanDerWaalsContact CZ-CG1 3.41Å; Y37-V50 WeakPolarHBondContact OH-CG1 3.48Å; L48-V50 HydrophobicContact CB-CG2 4.02Å
51G97.6Very high97.2Very high0 Ų057 Ų570%030%0.296CS..EExtended strand (participates in β ladder)trans-152.7177.6179.600000114.7M1 L19 V20 D21 Y37M1-G51 CarbonylContact O-C 3.49Å; M1-G51 WeakPolarHBondContact O-CA 3.41Å; L19-G51 PolarHBondContact O-N 2.9Å; V20-G51 CarbonylContact C-O 3.52Å; V20-G51 VanDerWaalsContact CA-O 3.29Å; V20-G51 WeakPolarHBondContact CA-O 3.16Å; D21-G51 PolarHBondContact N-O 3.06Å; Y37-G51 PolarHBondContact OH-O 3Å
52K98.5Very high97.3Very high26 Ų2656.4 Ų56.411%0.11329%0.29CS..EExtended strand (participates in β ladder)trans-133.7144-168.7-47.8-17372.8-177.10109.7M1 N2 M3 D21 Y37M1-K52 PolarHBondContact O-N 2.88Å; N2-K52 CarbonylContact C-O 3.48Å; N2-K52 WeakPolarHBondContact CA-O 3.43Å; M3-K52 PolarHBondContact N-O 3.42Å; D21-K52 HydrophobicContact CB-CB 4.45Å; D21-K52 HydrophobicContact CB-CG 4.2Å; D21-K52 CarbonylContact O-C 3.57Å; D21-K52 VanDerWaalsContact O-CA 3.26Å; D21-K52 WeakPolarHBondContact O-CA 3.47Å; D21-K52 WeakPolarHBondContact OD2-CE 3.37Å; D21-K52 IonicContact OD2-NZ 2.75Å; Y37-K52 HydrophobicContact CD1-CG 4.41Å; Y37-K52 HydrophobicContact CE1-CG 3.94Å
53I98.6Very high97.3Very high0 Ų053.2 Ų53.20%029%0.289CS..EExtended strand (participates in β ladder)trans-123.4118.7175.7-64.5-176.8000107.5M3 F8 V20 D21 F22 W23 I55 E58 L61M3-I53 HydrophobicContact CB-CD1 4.43Å; M3-I53 HydrophobicContact CB-CG1 3.98Å; F8-I53 HydrophobicContact CB-CD1 4.02Å; F8-I53 HydrophobicContact CD2-CD1 3.69Å; F8-I53 HydrophobicContact CE2-CD1 4.38Å; F8-I53 HydrophobicContact CG-CD1 3.96Å; V20-I53 HydrophobicContact CG1-CB 4.22Å; V20-I53 HydrophobicContact CG1-CD1 3.65Å; V20-I53 HydrophobicContact CG1-CG1 3.67Å; D21-I53 PolarHBondContact O-N 3.46Å; F22-I53 WeakPolarHBondContact CA-O 3.48Å; F22-I53 HydrophobicContact CD1-CB 3.83Å; F22-I53 HydrophobicContact CD1-CG2 3.92Å; F22-I53 HydrophobicContact CE1-CB 3.96Å; F22-I53 HydrophobicContact CE1-CD1 3.85Å; F22-I53 HydrophobicContact CE1-CG1 4.41Å; F22-I53 HydrophobicContact CE1-CG2 3.96Å; F22-I53 HydrophobicContact CZ-CD1 4.11Å; W23-I53 PolarHBondContact N-O 2.93Å; I53-I55 PolarHBondContact O-N 3.24Å; I53-E58 HydrophobicContact CG2-CB 3.72Å; I53-E58 HydrophobicContact CG2-CG 4.16Å; I53-L61 HydrophobicContact CD1-CD2 3.53Å; I53-L61 HydrophobicContact CG2-CD2 4.23Å
54N98.5Very high97.2Very high12 Ų1252.4 Ų52.46%0.06430%0.3CS..EExtended strand (participates in β ladder)trans-77.4116.2172.8-178.3-5.2000108.5W23 D56 E57 E58W23-N54 WeakPolarHBondContact O-CA 3.39Å; N54-D56 PolarHBondContact O-N 2.99Å; N54-D56 WeakPolarHBondContact OD1-CB 3.32Å; N54-D56 PolarHBondContact OD1-N 3.41Å; N54-E57 HydrophobicContact CB-CB 4.13Å; N54-E57 HydrophobicContact CB-CG 4.15Å; N54-E57 VanDerWaalsContact ND2-CD 3.35Å; N54-E57 PolarHBondContact ND2-OE1 3.44Å; N54-E57 PolarHBondContact O-N 2.89Å; N54-E57 VanDerWaalsContact O-N 3.13Å; N54-E58 PolarHBondContact O-N 3.27Å
55I98Very high97.2Very high32 Ų3254.1 Ų54.116%0.16431%0.309CS..THydrogen-bonded Turntrans-66.6-22.6-176.365160.1000113.1F22 W23 A24 W26 I53 E58 P59 A62 I67 I70F22-I55 HydrophobicContact CB-CG2 4.13Å; F22-I55 HydrophobicContact CD1-CG2 4.43Å; W23-I55 PolarHBondContact O-N 3.49Å; A24-I55 HydrophobicContact CB-CG1 4.04Å; W26-I55 HydrophobicContact CZ2-CD1 4.27Å; I53-I55 PolarHBondContact O-N 3.24Å; I55-E58 CarbonylContact O-C 3.58Å; I55-P59 VanDerWaalsContact O-CA 3.24Å; I55-P59 WeakPolarHBondContact O-CA 3.48Å; I55-A62 HydrophobicContact CB-CB 3.92Å; I55-A62 HydrophobicContact CG2-CB 3.75Å; I55-I67 HydrophobicContact CG2-CG2 4.49Å; I55-I70 HydrophobicContact CD1-CD1 4.02Å; I55-I70 HydrophobicContact CD1-CG2 3.89Å; I55-I70 HydrophobicContact CG1-CG2 4.49Å; I55-I70 HydrophobicContact CG2-CG2 4.11Å
56D97.4Very high97.3Very high85 Ų8554.3 Ų54.346%0.45532%0.316SS..THydrogen-bonded Turntrans-75.3-32176.7-62.1-32.7000111.1W26 N54W26-D56 VanDerWaalsContact CD1-OD2 3.26Å; W26-D56 PolarHBondContact NE1-OD1 3.22Å; W26-D56 PolarHBondContact NE1-OD2 2.91Å; N54-D56 PolarHBondContact O-N 2.99Å; N54-D56 WeakPolarHBondContact OD1-CB 3.32Å; N54-D56 PolarHBondContact OD1-N 3.41Å
57E98.1Very high97.4Very high135 Ų13548.6 Ų48.663%0.63129%0.285SS*.THydrogen-bonded Turntrans-84.4-32.3177.9-69.2167.4-15400111.6N54 P59N54-E57 HydrophobicContact CB-CB 4.13Å; N54-E57 HydrophobicContact CB-CG 4.15Å; N54-E57 VanDerWaalsContact ND2-CD 3.35Å; N54-E57 PolarHBondContact ND2-OE1 3.44Å; N54-E57 PolarHBondContact O-N 2.89Å; N54-E57 VanDerWaalsContact O-N 3.13Å; E57-P59 WeakPolarHBondContact O-CD 3.4Å
58E97.9Very high97.4Very high35 Ų3550.6 Ų50.616%0.16431%0.305CS..  trans-122.553.7-176.3-65.8-66.9-178.600113.1N4 Q5 I53 N54 I55 R60 L61 A62N4-E58 WeakPolarHBondContact CA-OE1 3.44Å; N4-E58 WeakPolarHBondContact CB-OE1 3.43Å; Q5-E58 PolarHBondContact N-OE1 3.34Å; I53-E58 HydrophobicContact CG2-CB 3.72Å; I53-E58 HydrophobicContact CG2-CG 4.16Å; N54-E58 PolarHBondContact O-N 3.27Å; I55-E58 CarbonylContact O-C 3.58Å; E58-R60 VanDerWaalsContact C-N 3.31Å; E58-R60 PolarHBondContact O-N 2.93Å; E58-L61 HydrophobicContact CB-CB 4.16Å; E58-L61 PolarHBondContact O-N 3.43Å; E58-L61 VanDerWaalsContact O-N 3.13Å; E58-A62 PolarHBondContact O-N 3.18Å
59P97.2Very high97.4Very high83 Ų8354 Ų5454%0.53933%0.326SS..Hα-helixtrans-66.3-32.6-171.326.1-35.7000112.9I55 E57 G63I55-P59 VanDerWaalsContact O-CA 3.24Å; I55-P59 WeakPolarHBondContact O-CA 3.48Å; E57-P59 WeakPolarHBondContact O-CD 3.4Å; P59-G63 PolarHBondContact O-N 3.02Å
60R97.5Very high97.4Very high203 Ų20354.1 Ų54.177%0.76633%0.325SS*.Hα-helixtrans-66.7-39.4176-77.9-171.5-77.6-108.1-1.1111.8E58 A64E58-R60 VanDerWaalsContact C-N 3.31Å; E58-R60 PolarHBondContact O-N 2.93Å; R60-A64 WeakPolarHBondContact O-CB 3.2Å; R60-A64 PolarHBondContact O-N 3.49Å
61L97.1Very high97.4Very high6 Ų653.1 Ų53.13%0.03132%0.319CS..Hα-helixtrans-70.1-47.6177.2178.659000110.6Q5 F8 I53 E58 G63 A64 E65Q5-L61 HydrophobicContact CB-CD2 4.41Å; F8-L61 HydrophobicContact CB-CD2 4.07Å; F8-L61 HydrophobicContact CD1-CD1 3.64Å; F8-L61 HydrophobicContact CD1-CD2 3.8Å; F8-L61 HydrophobicContact CD1-CG 4.35Å; F8-L61 HydrophobicContact CE1-CD1 3.58Å; F8-L61 HydrophobicContact CE1-CD2 4.42Å; F8-L61 HydrophobicContact CG-CD2 3.92Å; F8-L61 HydrophobicContact CZ-CD1 4.41Å; I53-L61 HydrophobicContact CD1-CD2 3.53Å; I53-L61 HydrophobicContact CG2-CD2 4.23Å; E58-L61 HydrophobicContact CB-CB 4.16Å; E58-L61 PolarHBondContact O-N 3.43Å; E58-L61 VanDerWaalsContact O-N 3.13Å; L61-G63 PolarHBondContact O-N 3.41Å; L61-A64 PolarHBondContact O-N 3.41Å; L61-E65 HydrophobicContact CD1-CG 3.84Å; L61-E65 HydrophobicContact CG-CG 4.33Å; L61-E65 WeakPolarHBondContact O-CG 3.49Å; L61-E65 PolarHBondContact O-N 2.61Å
62A97.6Very high97.4Very high8 Ų853.5 Ų53.57%0.06632%0.321CS..Hα-helixtrans-54.8-42.3175.300000111.8I55 E58 E65 G66 I67I55-A62 HydrophobicContact CB-CB 3.92Å; I55-A62 HydrophobicContact CG2-CB 3.75Å; E58-A62 PolarHBondContact O-N 3.18Å; A62-E65 PolarHBondContact O-N 3.07Å; A62-G66 PolarHBondContact O-N 3.49Å; A62-I67 HydrophobicContact CB-CB 4.36Å; A62-I67 WeakPolarHBondContact O-CB 3.41Å; A62-I67 PolarHBondContact O-N 3.29Å
63G97.5Very high97.4Very high56 Ų5652.3 Ų52.358%0.57732%0.316SS*.Hα-helixtrans-65.5-41.6174.400000113.8P59 L61 E65 G66P59-G63 PolarHBondContact O-N 3.02Å; L61-G63 PolarHBondContact O-N 3.41Å; G63-E65 VanDerWaalsContact C-N 3.32Å; G63-E65 PolarHBondContact O-N 2.75Å; G63-G66 PolarHBondContact O-N 2.86Å
64A96.4Very high97.4Very high80 Ų8052.6 Ų52.666%0.66132%0.318SS*.Hα-helixtrans-65.8-34.8177.500000112.7R60 L61 G66R60-A64 WeakPolarHBondContact O-CB 3.2Å; R60-A64 PolarHBondContact O-N 3.49Å; L61-A64 PolarHBondContact O-N 3.41Å; A64-G66 PolarHBondContact O-N 2.86Å
65E96.5Very high97.5Very high65 Ų6552 Ų5230%0.30432%0.315SS..THydrogen-bonded Turntrans-83.31.5176.3-61-61.2136.600112.7F8 F22 L61 A62 G63 I67 Y76F8-E65 HydrophobicContact CZ-CG 4.33Å; F22-E65 HydrophobicContact CE1-CB 4.39Å; F22-E65 HydrophobicContact CE1-CG 4.31Å; F22-E65 HydrophobicContact CZ-CB 4.05Å; F22-E65 HydrophobicContact CZ-CG 3.9Å; L61-E65 HydrophobicContact CD1-CG 3.84Å; L61-E65 HydrophobicContact CG-CG 4.33Å; L61-E65 WeakPolarHBondContact O-CG 3.49Å; L61-E65 PolarHBondContact O-N 2.61Å; A62-E65 PolarHBondContact O-N 3.07Å; G63-E65 VanDerWaalsContact C-N 3.32Å; G63-E65 PolarHBondContact O-N 2.75Å; E65-I67 VanDerWaalsContact C-N 3.33Å; E65-I67 HydrophobicContact CB-CD1 4.18Å; E65-I67 HydrophobicContact CB-CG1 3.98Å; E65-I67 PolarHBondContact O-N 3.31Å; E65-Y76 VanDerWaalsContact CD-OH 3.31Å; E65-Y76 VanDerWaalsContact OE2-CE1 3.23Å; E65-Y76 WeakPolarHBondContact OE2-CE1 3.39Å; E65-Y76 PolarHBondContact OE2-OH 3.1Å
66G96.4Very high97.5Very high58 Ų5850.7 Ų50.760%0.59831%0.308SS*.THydrogen-bonded Turntrans69.226.3175.900000114.4A62 G63 A64 A68A62-G66 PolarHBondContact O-N 3.49Å; G63-G66 PolarHBondContact O-N 2.86Å; A64-G66 PolarHBondContact O-N 2.86Å; G66-A68 PolarHBondContact O-N 2.98Å; G66-A68 VanDerWaalsContact O-N 3.14Å
67I97.6Very high97.4Very high28 Ų2849.8 Ų49.814%0.14430%0.298CS..  trans-75.1105.4-176.5-51.9-58.5000110.3F22 I55 A62 E65 I70 T72 V74F22-I67 HydrophobicContact CB-CD1 4.29Å; F22-I67 HydrophobicContact CB-CG1 4.11Å; F22-I67 HydrophobicContact CB-CG2 3.85Å; F22-I67 HydrophobicContact CD1-CD1 4.3Å; F22-I67 HydrophobicContact CD1-CG1 3.74Å; F22-I67 HydrophobicContact CD2-CD1 3.57Å; F22-I67 HydrophobicContact CD2-CG1 3.96Å; F22-I67 HydrophobicContact CE1-CG1 4.08Å; F22-I67 HydrophobicContact CE2-CD1 3.88Å; F22-I67 HydrophobicContact CE2-CG1 4.29Å; F22-I67 HydrophobicContact CG-CD1 3.8Å; F22-I67 HydrophobicContact CG-CG1 3.67Å; F22-I67 HydrophobicContact CG-CG2 4.36Å; F22-I67 HydrophobicContact CZ-CD1 4.36Å; F22-I67 HydrophobicContact CZ-CG1 4.35Å; I55-I67 HydrophobicContact CG2-CG2 4.49Å; A62-I67 HydrophobicContact CB-CB 4.36Å; A62-I67 WeakPolarHBondContact O-CB 3.41Å; A62-I67 PolarHBondContact O-N 3.29Å; E65-I67 VanDerWaalsContact C-N 3.33Å; E65-I67 HydrophobicContact CB-CD1 4.18Å; E65-I67 HydrophobicContact CB-CG1 3.98Å; E65-I67 PolarHBondContact O-N 3.31Å; I67-I70 HydrophobicContact CG2-CG2 4.02Å; I67-T72 HydrophobicContact CD1-CG2 4.05Å; I67-V74 HydrophobicContact CD1-CG2 4.1Å
68A94.7Very high97.2Very high98 Ų9849 Ų4981%0.8130%0.298SS*.  trans-102.4-24.4178.700000113.8G66G66-A68 PolarHBondContact O-N 2.98Å; G66-A68 VanDerWaalsContact O-N 3.14Å
69V96.7Very high97.1Very high77 Ų7748.8 Ų48.847%0.46731%0.305SS..SBendtrans-128141.5-177.5179.50000108.4T72V69-T72 PolarHBondContact O-OG1 3.05Å
70I97.7Very high97Very high28 Ų2852.3 Ų52.314%0.14431%0.312CS..SBendtrans-122.4145.3173.660.8167.3000112.1F22 A24 W26 C27 I55 I67F22-I70 WeakPolarHBondContact O-CG2 3.39Å; A24-I70 HydrophobicContact CB-CD1 3.49Å; A24-I70 VanDerWaalsContact CB-CD1 3.49Å; W26-I70 HydrophobicContact CH2-CD1 3.48Å; W26-I70 VanDerWaalsContact CH2-CD1 3.48Å; W26-I70 HydrophobicContact CH2-CG1 4.12Å; W26-I70 HydrophobicContact CZ2-CD1 3.77Å; W26-I70 HydrophobicContact CZ3-CD1 3.96Å; C27-I70 HydrophobicContact CB-CD1 3.66Å; C27-I70 HydrophobicContact CB-CG1 4.25Å; I55-I70 HydrophobicContact CD1-CD1 4.02Å; I55-I70 HydrophobicContact CD1-CG2 3.89Å; I55-I70 HydrophobicContact CG1-CG2 4.49Å; I55-I70 HydrophobicContact CG2-CG2 4.11Å; I67-I70 HydrophobicContact CG2-CG2 4.02Å
71P97.6Very high97Very high0 Ų045.5 Ų45.50%030%0.299CS..SBendcis-74.3141.8-5.731.2-30.3000110.9D21 F22 Y29 C30 I33 A87D21-P71 WeakPolarHBondContact OD1-CB 3.26Å; F22-P71 VanDerWaalsContact O-CA 3.28Å; F22-P71 WeakPolarHBondContact O-CA 3.47Å; Y29-P71 HydrophobicContact CD1-CG 3.58Å; Y29-P71 HydrophobicContact CE1-CG 3.81Å; C30-P71 HydrophobicContact CB-CB 4.48Å; C30-P71 VanDerWaalsContact SG-CD 3.51Å; I33-P71 HydrophobicContact CG2-CG 4.04Å; P71-A87 PolarHBondContact O-N 2.94Å
72T98.6Very high97Very high8 Ų847 Ų475%0.04931%0.309CS..EExtended strand (participates in β ladder)trans-115123.6164.2-68.50000107.4F22 I67 V69 V74 T86F22-T72 PolarHBondContact N-O 3.31Å; F22-T72 PolarHBondContact O-N 3.09Å; I67-T72 HydrophobicContact CD1-CG2 4.05Å; V69-T72 PolarHBondContact O-OG1 3.05Å; T72-V74 HydrophobicContact CG2-CG2 3.86Å; T72-T86 HydrophobicContact CG2-CG2 4.41Å
73L98.6Very high97Very high1 Ų149.2 Ų49.21%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-92.4129.7171.1-51.4-170.5000108.5L19 V20 D21 Y37 S84 V85 P88 I94 F97L19-L73 HydrophobicContact CD1-CB 4.27Å; V20-L73 CarbonylContact O-C 3.53Å; V20-L73 VanDerWaalsContact O-CA 3.27Å; V20-L73 WeakPolarHBondContact O-CA 3.37Å; D21-L73 HydrophobicContact CB-CD2 3.48Å; D21-L73 VanDerWaalsContact CB-CD2 3.48Å; D21-L73 WeakPolarHBondContact OD1-CD2 3.4Å; Y37-L73 HydrophobicContact CD2-CD1 3.93Å; Y37-L73 HydrophobicContact CD2-CD2 3.9Å; Y37-L73 HydrophobicContact CE2-CD1 3.98Å; Y37-L73 HydrophobicContact CE2-CD2 3.68Å; Y37-L73 HydrophobicContact CE2-CG 4.42Å; L73-S84 CarbonylContact O-C 3.38Å; L73-S84 WeakPolarHBondContact O-CA 2.92Å; L73-S84 WeakPolarHBondContact O-CB 3.42Å; L73-V85 HydrophobicContact CB-CG1 3.89Å; L73-V85 HydrophobicContact CD1-CG1 4.39Å; L73-V85 HydrophobicContact CG-CG1 4.32Å; L73-V85 PolarHBondContact N-O 3.24Å; L73-V85 PolarHBondContact O-N 2.71Å; L73-P88 HydrophobicContact CD1-CG 3.82Å; L73-P88 HydrophobicContact CG-CG 4.13Å; L73-I94 HydrophobicContact CD1-CB 4.39Å; L73-I94 HydrophobicContact CD1-CD1 4.01Å; L73-I94 HydrophobicContact CD1-CG1 3.79Å; L73-I94 HydrophobicContact CD1-CG2 3.81Å; L73-F97 HydrophobicContact CB-CE1 4.31Å
74V98.6Very high97Very high7 Ų749.5 Ų49.54%0.04231%0.313CS..EExtended strand (participates in β ladder)trans-122.8131175.9-172.30000108.6V20 F22 I67 T72 Y76 A81V20-V74 PolarHBondContact N-O 3.04Å; V20-V74 PolarHBondContact O-N 3.44Å; F22-V74 HydrophobicContact CD2-CG2 3.94Å; F22-V74 HydrophobicContact CE2-CB 4.11Å; F22-V74 HydrophobicContact CE2-CG2 3.71Å; I67-V74 HydrophobicContact CD1-CG2 4.1Å; T72-V74 HydrophobicContact CG2-CG2 3.86Å; V74-Y76 HydrophobicContact CB-CD2 4.33Å; V74-Y76 HydrophobicContact CB-CE2 3.54Å; V74-Y76 HydrophobicContact CG1-CD2 4.09Å; V74-Y76 HydrophobicContact CG1-CE1 4.04Å; V74-Y76 HydrophobicContact CG1-CE2 3.48Å; V74-Y76 VanDerWaalsContact CG1-CE2 3.48Å; V74-Y76 VanDerWaalsContact CG1-CZ 3.44Å; V74-A81 HydrophobicContact CG1-CB 3.77Å
75L98.6Very high97.1Very high0 Ų047.3 Ų47.30%029%0.291CS..EExtended strand (participates in β ladder)trans-96.8123.9172.4-170.878.1000109.1P17 V18 L19 L48 V82 D83 F97 A101 L102P17-L75 HydrophobicContact CB-CD1 4.42Å; V18-L75 CarbonylContact O-C 3.6Å; L19-L75 HydrophobicContact CB-CD1 4.04Å; L19-L75 HydrophobicContact CD1-CB 4.4Å; L19-L75 HydrophobicContact CD1-CD1 4.13Å; L48-L75 HydrophobicContact CD2-CD1 4Å; L75-V82 PolarHBondContact O-N 2.93Å; L75-D83 PolarHBondContact N-O 2.74Å; L75-F97 HydrophobicContact CB-CE1 4.16Å; L75-F97 HydrophobicContact CB-CZ 4.06Å; L75-A101 HydrophobicContact CB-CB 4.23Å; L75-A101 HydrophobicContact CD2-CB 3.47Å; L75-A101 VanDerWaalsContact CD2-CB 3.47Å; L75-A101 HydrophobicContact CG-CB 4.48Å; L75-L102 HydrophobicContact CD2-CD2 3.81Å; L75-L102 HydrophobicContact CD2-CG 4.03Å
76Y98.3Very high97.1Very high3 Ų348.2 Ų48.21%0.01230%0.301CS..EExtended strand (participates in β ladder)trans-107.1141.5176.1-60.8-94.6000110.7F8 I12 P17 V18 V20 F22 E65 V74 K80 A81F8-Y76 HydrophobicContact CE2-CD1 4.38Å; F8-Y76 HydrophobicContact CE2-CD2 4.09Å; F8-Y76 AromaticContact CE2-CE1 3.98Å; F8-Y76 HydrophobicContact CE2-CE1 3.98Å; F8-Y76 AromaticContact CE2-CE2 3.63Å; F8-Y76 HydrophobicContact CE2-CE2 3.63Å; F8-Y76 HydrophobicContact CE2-CG 4.44Å; F8-Y76 AromaticContact CE2-CZ 3.58Å; F8-Y76 HydrophobicContact CZ-CD1 4.22Å; F8-Y76 AromaticContact CZ-CE1 3.63Å; F8-Y76 HydrophobicContact CZ-CE1 3.63Å; F8-Y76 HydrophobicContact CZ-CE2 4.12Å; F8-Y76 AromaticContact CZ-CZ 3.57Å; I12-Y76 HydrophobicContact CB-CG 4.42Å; I12-Y76 HydrophobicContact CG2-CD1 4.14Å; I12-Y76 HydrophobicContact CG2-CD2 4.15Å; I12-Y76 HydrophobicContact CG2-CG 3.75Å; P17-Y76 CarbonylContact C-O 3.56Å; P17-Y76 WeakPolarHBondContact CA-O 3.4Å; P17-Y76 WeakPolarHBondContact CB-O 3.5Å; V18-Y76 PolarHBondContact N-O 2.87Å; V18-Y76 PolarHBondContact O-N 3.35Å; V20-Y76 HydrophobicContact CB-CD2 4.41Å; V20-Y76 HydrophobicContact CB-CE2 3.96Å; V20-Y76 HydrophobicContact CG2-CD2 3.81Å; V20-Y76 HydrophobicContact CG2-CE2 3.73Å; F22-Y76 HydrophobicContact CE2-CE2 4.36Å; F22-Y76 WeakPolarHBondContact CE2-OH 3.35Å; F22-Y76 WeakPolarHBondContact CZ-OH 3.24Å; E65-Y76 VanDerWaalsContact CD-OH 3.31Å; E65-Y76 VanDerWaalsContact OE2-CE1 3.23Å; E65-Y76 WeakPolarHBondContact OE2-CE1 3.39Å; E65-Y76 PolarHBondContact OE2-OH 3.1Å; V74-Y76 HydrophobicContact CB-CD2 4.33Å; V74-Y76 HydrophobicContact CB-CE2 3.54Å; V74-Y76 HydrophobicContact CG1-CD2 4.09Å; V74-Y76 HydrophobicContact CG1-CE1 4.04Å; V74-Y76 HydrophobicContact CG1-CE2 3.48Å; V74-Y76 VanDerWaalsContact CG1-CE2 3.48Å; V74-Y76 VanDerWaalsContact CG1-CZ 3.44Å; Y76-K80 CarbonylContact C-O 3.52Å; Y76-K80 WeakPolarHBondContact CA-O 3.35Å; Y76-A81 HydrophobicContact CD1-CB 4.1Å; Y76-A81 HydrophobicContact CE1-CB 3.85Å
77R96.5Very high97.1Very high67 Ų6747.3 Ų47.325%0.25329%0.288SS..EExtended strand (participates in β ladder)trans-143.1134.1171.4-172.7-173.5-76.5174.9-9.2108.5P17 G79 K80 V82 L102 K104P17-R77 HydrophobicContact CB-CB 4.44Å; P17-R77 HydrophobicContact CG-CG 4.28Å; R77-G79 PolarHBondContact O-N 3.42Å; R77-K80 PolarHBondContact N-O 2.97Å; R77-K80 PolarHBondContact O-N 2.94Å; R77-K80 VanDerWaalsContact O-N 3.11Å; R77-V82 HydrophobicContact CB-CG2 3.56Å; R77-L102 PolarHBondContact NH1-O 3.13Å; R77-L102 VanDerWaalsContact NH2-CA 3.27Å; R77-L102 PolarHBondContact NH2-O 3.14Å; R77-K104 PolarHBondContact NH1-OXT 3.06Å
78N94.2Very high97Very high117 Ų11746 Ų4663%0.62628%0.281SS*.THydrogen-bonded Turntrans51.942.5177.9-59-33.8000113.3K80N78-K80 VanDerWaalsContact C-N 3.32Å; N78-K80 PolarHBondContact O-N 3.25Å
79G94.6Very high96.9Very high31 Ų3143.6 Ų43.632%0.3227%0.266SS..THydrogen-bonded Turntrans779.2177.200000115.5I12 R77I12-G79 VanDerWaalsContact O-CA 3.25Å; I12-G79 WeakPolarHBondContact O-CA 3.25Å; I12-G79 PolarHBondContact O-N 2.89Å; R77-G79 PolarHBondContact O-N 3.42Å
80K95.3Very high96.9Very high157 Ų15742 Ų4268%0.68326%0.259SS*.EExtended strand (participates in β ladder)trans-128.7144.7-177.2-62.3-176.7-178.2-179.90111.7Y76 R77 N78 V82Y76-K80 CarbonylContact C-O 3.52Å; Y76-K80 WeakPolarHBondContact CA-O 3.35Å; R77-K80 PolarHBondContact N-O 2.97Å; R77-K80 PolarHBondContact O-N 2.94Å; R77-K80 VanDerWaalsContact O-N 3.11Å; N78-K80 VanDerWaalsContact C-N 3.32Å; N78-K80 PolarHBondContact O-N 3.25Å; K80-V82 PolarHBondContact O-N 2.85Å
81A97Very high96.9Very high60 Ų6043.6 Ų43.650%0.49627%0.265SS..EExtended strand (participates in β ladder)trans-66.2125.716700000109.6V74 Y76V74-A81 HydrophobicContact CG1-CB 3.77Å; Y76-A81 HydrophobicContact CD1-CB 4.1Å; Y76-A81 HydrophobicContact CE1-CB 3.85Å
82V96.9Very high96.9Very high38 Ų3846.3 Ų46.323%0.2329%0.287CS..EExtended strand (participates in β ladder)trans-92.7-44.3179.2178.60000110.4L75 R77 K80 A101 K104L75-V82 PolarHBondContact O-N 2.93Å; R77-V82 HydrophobicContact CB-CG2 3.56Å; K80-V82 PolarHBondContact O-N 2.85Å; V82-A101 HydrophobicContact CG1-CB 4.44Å; V82-A101 VanDerWaalsContact CG1-O 3.27Å; V82-A101 WeakPolarHBondContact CG1-O 3.46Å; V82-K104 HydrophobicContact CG1-CB 3.97Å; V82-K104 HydrophobicContact CG1-CD 4.02Å; V82-K104 HydrophobicContact CG1-CG 4.5Å
83D97.9Very high96.9Very high55 Ų5549.6 Ų49.629%0.29430%0.302SS..EExtended strand (participates in β ladder)trans-162.1169.8175-150.9-10.3000111.1L75 F97 A101 K104L75-D83 PolarHBondContact N-O 2.74Å; D83-F97 HydrophobicContact CB-CE2 3.79Å; D83-F97 HydrophobicContact CB-CZ 4.36Å; D83-F97 WeakPolarHBondContact O-CZ 2.96Å; D83-A101 HydrophobicContact CB-CB 3.93Å; D83-K104 IonicContact OD1-NZ 3.63Å; D83-K104 WeakPolarHBondContact OD2-CE 3.33Å; D83-K104 IonicContact OD2-NZ 2.71Å; D83-K104 PolarHBondContact OD2-NZ 3.49Å
84S98.1Very high96.9Very high62 Ų6249.5 Ų49.543%0.43430%0.301SS..EExtended strand (participates in β ladder)trans-141.8150.9175.766.60000112.8L73 F97L73-S84 CarbonylContact O-C 3.38Å; L73-S84 WeakPolarHBondContact O-CA 2.92Å; L73-S84 WeakPolarHBondContact O-CB 3.42Å; S84-F97 VanDerWaalsContact C-CE2 3.42Å
85V98.1Very high96.9Very high34 Ų3450.6 Ų50.621%0.20631%0.307CS..EExtended strand (participates in β ladder)trans-130.2129.7170.661.60000110.5L73 P88 F97L73-V85 HydrophobicContact CB-CG1 3.89Å; L73-V85 HydrophobicContact CD1-CG1 4.39Å; L73-V85 HydrophobicContact CG-CG1 4.32Å; L73-V85 PolarHBondContact N-O 3.24Å; L73-V85 PolarHBondContact O-N 2.71Å; V85-P88 HydrophobicContact CG1-CB 4.39Å; V85-P88 HydrophobicContact CG1-CG 4.37Å; V85-P88 HydrophobicContact CG2-CB 4.29Å; V85-F97 HydrophobicContact CB-CB 4.44Å; V85-F97 HydrophobicContact CB-CD2 3.76Å; V85-F97 HydrophobicContact CB-CE2 4.12Å; V85-F97 HydrophobicContact CB-CG 3.99Å; V85-F97 HydrophobicContact CG1-CB 3.97Å; V85-F97 HydrophobicContact CG1-CD1 3.63Å; V85-F97 HydrophobicContact CG1-CD2 3.74Å; V85-F97 HydrophobicContact CG1-CE1 4.02Å; V85-F97 HydrophobicContact CG1-CE2 4.11Å; V85-F97 HydrophobicContact CG1-CG 3.47Å; V85-F97 VanDerWaalsContact CG1-CG 3.47Å; V85-F97 HydrophobicContact CG1-CZ 4.24Å
86T97.7Very high96.8Very high83 Ų8357.4 Ų57.451%0.50933%0.333SS..EExtended strand (participates in β ladder)trans-93.2131.7176.959.70000110.3T72T72-T86 HydrophobicContact CG2-CG2 4.41Å
87A95.4Very high96.8Very high39 Ų3957.9 Ų57.932%0.32234%0.335SS..SBendtrans46.160.4174.700000114.6Y29 P71 G89Y29-A87 HydrophobicContact CE1-CB 3.95Å; Y29-A87 PolarHBondContact OH-O 2.85Å; P71-A87 PolarHBondContact O-N 2.94Å; A87-G89 PolarHBondContact O-N 2.89Å
88P96.1Very high96.9Very high1 Ų154.7 Ų54.71%0.00632%0.323CS..  trans-65.6126.6177.427.9-34.5000111.6Y29 I33 L73 V85 S90 E93 I94Y29-P88 PolarHBondContact OH-O 3.07Å; I33-P88 VanDerWaalsContact CD1-O 3.3Å; I33-P88 WeakPolarHBondContact CD1-O 3.38Å; L73-P88 HydrophobicContact CD1-CG 3.82Å; L73-P88 HydrophobicContact CG-CG 4.13Å; V85-P88 HydrophobicContact CG1-CB 4.39Å; V85-P88 HydrophobicContact CG1-CG 4.37Å; V85-P88 HydrophobicContact CG2-CB 4.29Å; P88-S90 VanDerWaalsContact C-N 3.31Å; P88-S90 PolarHBondContact O-N 3.33Å; P88-E93 HydrophobicContact CB-CB 4.2Å; P88-I94 HydrophobicContact CB-CG1 3.86Å; P88-I94 HydrophobicContact CG-CD1 4.3Å; P88-I94 HydrophobicContact CG-CG1 3.8Å
89G93Very high97Very high48 Ų4854.2 Ų54.250%0.49532%0.316SS..  trans-71.3-17.2-169.800000115.8Y29 A87 E93Y29-G89 WeakPolarHBondContact OH-CA 3.45Å; Y29-G89 PolarHBondContact OH-N 2.6Å; A87-G89 PolarHBondContact O-N 2.89Å; G89-E93 WeakPolarHBondContact CA-OE1 3.28Å; G89-E93 VanDerWaalsContact N-CD 3.33Å; G89-E93 PolarHBondContact N-OE2 3.41Å
90S96Very high97.2Very high44 Ų4458.1 Ų58.131%0.30833%0.326SS..SBendtrans-160.6165.3-173.963.50000112.5P88 A92 E93 I94P88-S90 VanDerWaalsContact C-N 3.31Å; P88-S90 PolarHBondContact O-N 3.33Å; S90-A92 PolarHBondContact O-N 3.35Å; S90-E93 PolarHBondContact O-N 3.05Å; S90-E93 VanDerWaalsContact O-N 3.15Å; S90-E93 PolarHBondContact OG-N 2.97Å; S90-E93 PolarHBondContact OG-OE1 2.82Å; S90-I94 PolarHBondContact O-N 3.31Å
91K97.6Very high97.2Very high61 Ų6150.6 Ų50.627%0.26529%0.294SS..Hα-helixtrans-54.6-41.1170.7-162.6-175.379.173.30111.8A36 K39 I40 E43 E93 I94 D95A36-K91 HydrophobicContact CB-CB 3.9Å; A36-K91 HydrophobicContact CB-CG 4.3Å; K39-K91 HydrophobicContact CB-CD 4.12Å; K39-K91 HydrophobicContact CG-CD 3.94Å; I40-K91 HydrophobicContact CD1-CD 4.37Å; I40-K91 HydrophobicContact CD1-CG 3.77Å; I40-K91 HydrophobicContact CG1-CG 3.87Å; E43-K91 IonicContact OE1-NZ 2.61Å; E43-K91 IonicContact OE2-NZ 3.56Å; E43-K91 PolarHBondContact OE2-NZ 2.9Å; K91-E93 VanDerWaalsContact C-N 3.27Å; K91-E93 PolarHBondContact O-N 3.14Å; K91-I94 WeakPolarHBondContact O-CB 3.32Å; K91-I94 PolarHBondContact O-N 3.04Å; K91-I94 VanDerWaalsContact O-N 3.07Å; K91-D95 IonicContact NZ-OD2 3.9Å; K91-D95 PolarHBondContact NZ-OD2 3.46Å; K91-D95 PolarHBondContact O-N 2.05Å
92A98Very high97.1Very high57 Ų5749.6 Ų49.647%0.47128%0.28SS..Hα-helixtrans-63.6-31.1-179.600000113.1S90 R96S90-A92 PolarHBondContact O-N 3.35Å; A92-R96 WeakPolarHBondContact O-CB 3.43Å; A92-R96 PolarHBondContact O-N 3.31Å
93E98.1Very high96.9Very high76 Ų7652.1 Ų52.136%0.35530%0.304SS..Hα-helixtrans-72-38172.1-75.6170.4-125.800112P88 G89 S90 K91 R96 F97P88-E93 HydrophobicContact CB-CB 4.2Å; G89-E93 WeakPolarHBondContact CA-OE1 3.28Å; G89-E93 VanDerWaalsContact N-CD 3.33Å; G89-E93 PolarHBondContact N-OE2 3.41Å; S90-E93 PolarHBondContact O-N 3.05Å; S90-E93 VanDerWaalsContact O-N 3.15Å; S90-E93 PolarHBondContact OG-N 2.97Å; S90-E93 PolarHBondContact OG-OE1 2.82Å; K91-E93 VanDerWaalsContact C-N 3.27Å; K91-E93 PolarHBondContact O-N 3.14Å; E93-R96 PolarHBondContact O-N 3.24Å; E93-F97 WeakPolarHBondContact O-CB 3.46Å; E93-F97 PolarHBondContact O-N 3.15Å
94I98.5Very high96.5Very high0 Ų056.5 Ų56.50%032%0.321CS..Hα-helixtrans-64.1-46.3174-56.3171.5000110.1L19 I33 Y37 I40 L73 P88 S90 K91 R96 F97 I98L19-I94 HydrophobicContact CD2-CG2 4.33Å; I33-I94 HydrophobicContact CD1-CD1 4.22Å; I33-I94 HydrophobicContact CG1-CD1 3.94Å; Y37-I94 HydrophobicContact CD2-CD1 4.49Å; I40-I94 HydrophobicContact CD1-CB 4.34Å; I40-I94 HydrophobicContact CD1-CG2 4.12Å; I40-I94 HydrophobicContact CG1-CB 4.2Å; I40-I94 HydrophobicContact CG1-CG2 3.81Å; I40-I94 HydrophobicContact CG2-CG2 4.22Å; L73-I94 HydrophobicContact CD1-CB 4.39Å; L73-I94 HydrophobicContact CD1-CD1 4.01Å; L73-I94 HydrophobicContact CD1-CG1 3.79Å; L73-I94 HydrophobicContact CD1-CG2 3.81Å; P88-I94 HydrophobicContact CB-CG1 3.86Å; P88-I94 HydrophobicContact CG-CD1 4.3Å; P88-I94 HydrophobicContact CG-CG1 3.8Å; S90-I94 PolarHBondContact O-N 3.31Å; K91-I94 WeakPolarHBondContact O-CB 3.32Å; K91-I94 PolarHBondContact O-N 3.04Å; K91-I94 VanDerWaalsContact O-N 3.07Å; I94-R96 VanDerWaalsContact C-N 3.35Å; I94-R96 PolarHBondContact O-N 3.41Å; I94-F97 WeakPolarHBondContact O-CB 3.5Å; I94-F97 PolarHBondContact O-N 2.84Å; I94-I98 HydrophobicContact CG2-CD1 3.96Å; I94-I98 HydrophobicContact CG2-CG1 4.4Å; I94-I98 VanDerWaalsContact O-CG1 3.28Å; I94-I98 WeakPolarHBondContact O-CG1 3.1Å; I94-I98 PolarHBondContact O-N 2.78Å
95D98.2Very high96.4Very high30 Ų3056.2 Ų56.216%0.1632%0.315CS..Hα-helixtrans-53.8-51.1174.2-84.4-53.8000111.3I40 Y44 K91 F97 I98 Q99I40-D95 VanDerWaalsContact CD1-OD1 3.31Å; I40-D95 WeakPolarHBondContact CD1-OD1 3.21Å; Y44-D95 WeakPolarHBondContact CE2-OD1 3.45Å; Y44-D95 PolarHBondContact OH-OD1 3.16Å; K91-D95 IonicContact NZ-OD2 3.9Å; K91-D95 PolarHBondContact NZ-OD2 3.46Å; K91-D95 PolarHBondContact O-N 2.05Å; D95-F97 PolarHBondContact O-N 3.4Å; D95-I98 PolarHBondContact O-N 2.76Å; D95-Q99 WeakPolarHBondContact O-CG 3.44Å; D95-Q99 PolarHBondContact O-N 3.31Å
96R98.2Very high96.3Very high143 Ų14357.4 Ų57.454%0.5432%0.321SS..Hα-helixtrans-59.3-47.4179.2-172.3-174.6-50.9146.110.3111.7A92 E93 I94 I98 Q99 E100A92-R96 WeakPolarHBondContact O-CB 3.43Å; A92-R96 PolarHBondContact O-N 3.31Å; E93-R96 PolarHBondContact O-N 3.24Å; I94-R96 VanDerWaalsContact C-N 3.35Å; I94-R96 PolarHBondContact O-N 3.41Å; R96-I98 VanDerWaalsContact C-N 3.32Å; R96-I98 PolarHBondContact O-N 3.29Å; R96-Q99 PolarHBondContact O-N 3.47Å; R96-E100 WeakPolarHBondContact CD-OE1 3.33Å; R96-E100 HydrophobicContact CG-CG 4.37Å; R96-E100 VanDerWaalsContact CG-OE1 3.28Å; R96-E100 WeakPolarHBondContact CG-OE1 3.48Å; R96-E100 WeakPolarHBondContact O-CB 3.28Å; R96-E100 WeakPolarHBondContact O-CG 3.37Å; R96-E100 PolarHBondContact O-N 2.94Å
97F98.3Very high96.2Very high13 Ų1355.9 Ų55.96%0.05731%0.311CS..Hα-helixtrans-56.2-46.3176.5165.1-106.5000111.8L19 L73 L75 D83 S84 V85 E93 I94 D95 Q99 E100 A101L19-F97 HydrophobicContact CD1-CD1 4.34Å; L19-F97 HydrophobicContact CD1-CE1 3.71Å; L73-F97 HydrophobicContact CB-CE1 4.31Å; L75-F97 HydrophobicContact CB-CE1 4.16Å; L75-F97 HydrophobicContact CB-CZ 4.06Å; D83-F97 HydrophobicContact CB-CE2 3.79Å; D83-F97 HydrophobicContact CB-CZ 4.36Å; D83-F97 WeakPolarHBondContact O-CZ 2.96Å; S84-F97 VanDerWaalsContact C-CE2 3.42Å; V85-F97 HydrophobicContact CB-CB 4.44Å; V85-F97 HydrophobicContact CB-CD2 3.76Å; V85-F97 HydrophobicContact CB-CE2 4.12Å; V85-F97 HydrophobicContact CB-CG 3.99Å; V85-F97 HydrophobicContact CG1-CB 3.97Å; V85-F97 HydrophobicContact CG1-CD1 3.63Å; V85-F97 HydrophobicContact CG1-CD2 3.74Å; V85-F97 HydrophobicContact CG1-CE1 4.02Å; V85-F97 HydrophobicContact CG1-CE2 4.11Å; V85-F97 HydrophobicContact CG1-CG 3.47Å; V85-F97 VanDerWaalsContact CG1-CG 3.47Å; V85-F97 HydrophobicContact CG1-CZ 4.24Å; E93-F97 WeakPolarHBondContact O-CB 3.46Å; E93-F97 PolarHBondContact O-N 3.15Å; I94-F97 WeakPolarHBondContact O-CB 3.5Å; I94-F97 PolarHBondContact O-N 2.84Å; D95-F97 PolarHBondContact O-N 3.4Å; F97-Q99 PolarHBondContact O-N 2.72Å; F97-E100 PolarHBondContact O-N 3.25Å; F97-A101 HydrophobicContact CE2-CB 4.36Å; F97-A101 WeakPolarHBondContact O-CB 3.3Å; F97-A101 PolarHBondContact O-N 3.31Å
98I98.1Very high96.3Very high0 Ų056.9 Ų56.90%031%0.31CS..Hα-helixtrans-59.4-49.3177.6-69.7168.8000110.5L19 I40 Y44 L48 I94 D95 R96 E100 A101 L102L19-I98 HydrophobicContact CD2-CD1 3.75Å; L19-I98 HydrophobicContact CD2-CG1 4.09Å; I40-I98 HydrophobicContact CD1-CD1 4.35Å; I40-I98 HydrophobicContact CG2-CD1 3.49Å; I40-I98 VanDerWaalsContact CG2-CD1 3.49Å; Y44-I98 HydrophobicContact CD1-CG2 4.05Å; Y44-I98 HydrophobicContact CD2-CD1 4.38Å; Y44-I98 HydrophobicContact CE1-CD1 4.48Å; Y44-I98 HydrophobicContact CE1-CG2 3.58Å; Y44-I98 HydrophobicContact CE2-CD1 4.2Å; L48-I98 HydrophobicContact CD1-CD1 3.96Å; L48-I98 HydrophobicContact CD1-CG1 4.32Å; L48-I98 HydrophobicContact CD1-CG2 3.82Å; I94-I98 HydrophobicContact CG2-CD1 3.96Å; I94-I98 HydrophobicContact CG2-CG1 4.4Å; I94-I98 VanDerWaalsContact O-CG1 3.28Å; I94-I98 WeakPolarHBondContact O-CG1 3.1Å; I94-I98 PolarHBondContact O-N 2.78Å; D95-I98 PolarHBondContact O-N 2.76Å; R96-I98 VanDerWaalsContact C-N 3.32Å; R96-I98 PolarHBondContact O-N 3.29Å; I98-E100 PolarHBondContact O-N 2.82Å; I98-A101 PolarHBondContact O-N 3.39Å; I98-L102 HydrophobicContact CG2-CD1 3.55Å; I98-L102 HydrophobicContact CG2-CG 4.09Å; I98-L102 VanDerWaalsContact O-CB 3.28Å; I98-L102 WeakPolarHBondContact O-CB 3.47Å; I98-L102 WeakPolarHBondContact O-CG 3.35Å; I98-L102 PolarHBondContact O-N 3.3Å
99Q96.8Very high96.3Very high106 Ų10660.4 Ų60.450%0.49533%0.329SS..Hα-helixtrans-63.4-44.4-177.9-63.6-59.5-36.500111.9Y44 D95 R96 F97 L102 A103Y44-Q99 PolarHBondContact OH-NE2 3.38Å; D95-Q99 WeakPolarHBondContact O-CG 3.44Å; D95-Q99 PolarHBondContact O-N 3.31Å; R96-Q99 PolarHBondContact O-N 3.47Å; F97-Q99 PolarHBondContact O-N 2.72Å; Q99-L102 PolarHBondContact O-N 3.17Å; Q99-A103 WeakPolarHBondContact O-CB 3.44Å; Q99-A103 PolarHBondContact O-N 3.14Å; Q99-A103 VanDerWaalsContact O-N 3.1Å
100E97.6Very high96.5Very high113 Ų11361.3 Ų61.353%0.52832%0.318SS..Hα-helixtrans-64.5-42.7177.7-72.3174.2-175.600111.9R96 F97 I98 A103R96-E100 WeakPolarHBondContact CD-OE1 3.33Å; R96-E100 HydrophobicContact CG-CG 4.37Å; R96-E100 VanDerWaalsContact CG-OE1 3.28Å; R96-E100 WeakPolarHBondContact CG-OE1 3.48Å; R96-E100 WeakPolarHBondContact O-CB 3.28Å; R96-E100 WeakPolarHBondContact O-CG 3.37Å; R96-E100 PolarHBondContact O-N 2.94Å; F97-E100 PolarHBondContact O-N 3.25Å; I98-E100 PolarHBondContact O-N 2.82Å; E100-A103 PolarHBondContact O-N 3.19Å
101A96.4Very high96.5Very high0 Ų062.5 Ų62.50%032%0.318CS..Hα-helixtrans-70.3-36.6178.300000112L75 V82 D83 F97 I98 A103 K104L75-A101 HydrophobicContact CB-CB 4.23Å; L75-A101 HydrophobicContact CD2-CB 3.47Å; L75-A101 VanDerWaalsContact CD2-CB 3.47Å; L75-A101 HydrophobicContact CG-CB 4.48Å; V82-A101 HydrophobicContact CG1-CB 4.44Å; V82-A101 VanDerWaalsContact CG1-O 3.27Å; V82-A101 WeakPolarHBondContact CG1-O 3.46Å; D83-A101 HydrophobicContact CB-CB 3.93Å; F97-A101 HydrophobicContact CE2-CB 4.36Å; F97-A101 WeakPolarHBondContact O-CB 3.3Å; F97-A101 PolarHBondContact O-N 3.31Å; I98-A101 PolarHBondContact O-N 3.39Å; A101-A103 VanDerWaalsContact C-N 3.28Å; A101-A103 PolarHBondContact O-N 3.3Å; A101-K104 PolarHBondContact O-N 3.02Å
102L93.9Very high96.4Very high39 Ų3962.6 Ų62.620%0.20432%0.323CS..Hα-helixtrans-71.1-24177.4-72.4176.6000113.2P17 L48 L75 R77 I98 Q99 K104P17-L102 HydrophobicContact CB-CD2 4.16Å; P17-L102 HydrophobicContact CG-CD2 3.9Å; L48-L102 HydrophobicContact CD2-CD1 4.43Å; L48-L102 HydrophobicContact CD2-CD2 4.15Å; L75-L102 HydrophobicContact CD2-CD2 3.81Å; L75-L102 HydrophobicContact CD2-CG 4.03Å; R77-L102 PolarHBondContact NH1-O 3.13Å; R77-L102 VanDerWaalsContact NH2-CA 3.27Å; R77-L102 PolarHBondContact NH2-O 3.14Å; I98-L102 HydrophobicContact CG2-CD1 3.55Å; I98-L102 HydrophobicContact CG2-CG 4.09Å; I98-L102 VanDerWaalsContact O-CB 3.28Å; I98-L102 WeakPolarHBondContact O-CB 3.47Å; I98-L102 WeakPolarHBondContact O-CG 3.35Å; I98-L102 PolarHBondContact O-N 3.3Å; Q99-L102 PolarHBondContact O-N 3.17Å; L102-K104 VanDerWaalsContact C-N 3.27Å
103A93.8Very high96.3Very high90 Ų9063.1 Ų63.174%0.74431%0.31SS*.THydrogen-bonded Turntrans-78.8-5.3176.900000114.1Q99 E100 A101Q99-A103 WeakPolarHBondContact O-CB 3.44Å; Q99-A103 PolarHBondContact O-N 3.14Å; Q99-A103 VanDerWaalsContact O-N 3.1Å; E100-A103 PolarHBondContact O-N 3.19Å; A101-A103 VanDerWaalsContact C-N 3.28Å; A101-A103 PolarHBondContact O-N 3.3Å
104K87.9Confident96.2Very high147 Ų14761.9 Ų61.964%0.63931%0.306SS*.  trans-840170.4-59.5-176.1-171.5179.40111.5R77 V82 D83 A101 L102R77-K104 PolarHBondContact NH1-OXT 3.06Å; V82-K104 HydrophobicContact CG1-CB 3.97Å; V82-K104 HydrophobicContact CG1-CD 4.02Å; V82-K104 HydrophobicContact CG1-CG 4.5Å; D83-K104 IonicContact OD1-NZ 3.63Å; D83-K104 WeakPolarHBondContact OD2-CE 3.33Å; D83-K104 IonicContact OD2-NZ 2.71Å; D83-K104 PolarHBondContact OD2-NZ 3.49Å; A101-K104 PolarHBondContact O-N 3.02Å; L102-K104 VanDerWaalsContact C-N 3.27Å

Retrieved 104 of 104 residues in 41.3 ms (Link to these results)

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