A0A077Z7Y6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z7Y6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 133 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
1M36Very low35Very low86 Ų8691.1 Ų91.142%0.42441%0.412SS..  0138.10-173.1163.5175.200106.4Y3 F16 V28 N70M1-Y3 HydrophobicContact CB-CD2 4.46Å; M1-Y3 HydrophobicContact CB-CE2 3.79Å; M1-Y3 HydrophobicContact CE-CE1 4.24Å; M1-Y3 HydrophobicContact CG-CD2 4.29Å; M1-Y3 HydrophobicContact CG-CE2 3.63Å; M1-Y3 HydrophobicContact SD-CE2 4.07Å; M1-Y3 PolarHBondContact SD-OH 2.76Å; M1-F16 PolarHBondContact N-O 2.93Å; M1-F16 WeakPolarHBondContact O-CB 3.3Å; M1-F16 PolarHBondContact O-N 3.16Å; M1-V28 VanDerWaalsContact N-CG1 3.33Å; M1-N70 HydrophobicContact CE-CB 3.85Å
2L38.4Very low35.9Very low11 Ų1184.7 Ų84.76%0.05838%0.383CS..EExtended strand (participates in β ladder)trans-98.3125.6-177.117850.1000108.4L15 I64 L67L2-L15 HydrophobicContact CB-CD1 3.45Å; L2-L15 VanDerWaalsContact CB-CD1 3.45Å; L2-L15 HydrophobicContact CD1-CB 3.65Å; L2-L15 HydrophobicContact CD1-CD1 3.53Å; L2-L15 HydrophobicContact CD1-CG 4.11Å; L2-L15 HydrophobicContact CD2-CD1 4.19Å; L2-L15 HydrophobicContact CG-CD1 3.88Å; L2-I64 HydrophobicContact CD2-CD1 4.11Å; L2-I64 HydrophobicContact CD2-CG2 3.32Å; L2-I64 HydrophobicContact CG-CG2 4.31Å; L2-L67 HydrophobicContact CB-CB 4.12Å; L2-L67 HydrophobicContact CB-CD1 4.14Å; L2-L67 HydrophobicContact CD2-CD1 3.85Å
3Y36.1Very low36.6Very low50 Ų5078.2 Ų78.220%0.19635%0.354CS..EExtended strand (participates in β ladder)trans-116.4134.6174.8-65.6-98.8000108.2M1 I14 F16 V95M1-Y3 HydrophobicContact CB-CD2 4.46Å; M1-Y3 HydrophobicContact CB-CE2 3.79Å; M1-Y3 HydrophobicContact CE-CE1 4.24Å; M1-Y3 HydrophobicContact CG-CD2 4.29Å; M1-Y3 HydrophobicContact CG-CE2 3.63Å; M1-Y3 HydrophobicContact SD-CE2 4.07Å; M1-Y3 PolarHBondContact SD-OH 2.76Å; Y3-I14 CarbonylContact C-O 3.37Å; Y3-I14 PolarHBondContact N-O 3.34Å; Y3-I14 CarbonylContact O-C 3.54Å; Y3-I14 VanDerWaalsContact O-C 3.25Å; Y3-I14 VanDerWaalsContact O-CA 3.29Å; Y3-I14 WeakPolarHBondContact O-CA 2.98Å; Y3-I14 PolarHBondContact O-N 2.97Å; Y3-F16 AromaticContact CD2-CD2 3.47Å; Y3-F16 HydrophobicContact CD2-CD2 3.47Å; Y3-F16 VanDerWaalsContact CD2-CD2 3.47Å; Y3-F16 AromaticContact CD2-CE2 3.74Å; Y3-F16 HydrophobicContact CD2-CE2 3.74Å; Y3-F16 HydrophobicContact CE2-CD2 4.15Å; Y3-F16 HydrophobicContact CG-CD2 4.33Å; Y3-F16 HydrophobicContact CG-CE2 4.21Å; Y3-V95 HydrophobicContact CD1-CG1 3.52Å; Y3-V95 HydrophobicContact CD2-CG1 3.77Å; Y3-V95 HydrophobicContact CE1-CG1 3.97Å; Y3-V95 HydrophobicContact CE2-CG1 4.16Å; Y3-V95 HydrophobicContact CG-CG1 3.39Å
4I33.2Very low37.3Very low48 Ų4872.6 Ų72.625%0.24633%0.329CS..EExtended strand (participates in β ladder)trans-105.9122.4178.1-68.2155.8000106.1D13 I64I4-D13 HydrophobicContact CG1-CB 4.18Å; I4-D13 WeakPolarHBondContact CG2-OD1 3.47Å; I4-I64 HydrophobicContact CD1-CB 4.34Å; I4-I64 HydrophobicContact CD1-CG2 3.99Å; I4-I64 WeakPolarHBondContact CD1-O 3.48Å
5V35.4Very low38Very low19 Ų1968.2 Ų68.212%0.11531%0.309CS..EExtended strand (participates in β ladder)trans-108.9100.1176.9-171.90000109T7 E12 I14 V95 W113V5-T7 HydrophobicContact CG1-CG2 4.01Å; V5-E12 CarbonylContact C-O 3.42Å; V5-E12 WeakPolarHBondContact CA-O 3.4Å; V5-E12 PolarHBondContact N-O 3.5Å; V5-E12 PolarHBondContact O-N 2.75Å; V5-I14 HydrophobicContact CB-CD1 4.02Å; V5-I14 HydrophobicContact CG2-CD1 3.5Å; V5-I14 HydrophobicContact CG2-CG1 4.17Å; V5-V95 HydrophobicContact CG2-CG2 3.34Å; V5-W113 HydrophobicContact CB-CH2 3.78Å; V5-W113 HydrophobicContact CB-CZ2 4.07Å; V5-W113 HydrophobicContact CG1-CH2 3.73Å; V5-W113 HydrophobicContact CG1-CZ2 4.17Å; V5-W113 HydrophobicContact CG2-CH2 3.79Å; V5-W113 HydrophobicContact CG2-CZ2 4.46Å
6E28.5Very low38.5Very low128 Ų12864.9 Ų64.960%0.59829%0.294SS*.EExtended strand (participates in β ladder)trans-82.4122172.7-162.2153.9-14400108.4R11E6-R11 HydrophobicContact CB-CG 4.5Å; E6-R11 HydrophobicContact CG-CB 4.46Å; E6-R11 HydrophobicContact CG-CG 4.17Å; E6-R11 WeakPolarHBondContact OE1-CD 3.29Å; E6-R11 IonicContact OE1-CZ 3.63Å; E6-R11 IonicContact OE1-NE 2.89Å; E6-R11 IonicContact OE1-NH1 3.69Å; E6-R11 PolarHBondContact OE1-NH1 3.2Å; E6-R11 IonicContact OE2-NH1 3.57Å
7T35.2Very low38.9Very low21 Ų2161.2 Ų61.213%0.12928%0.277CS..EExtended strand (participates in β ladder)trans-118.3150.117366.80000109.2V5 R9 F10 I92 K104V5-T7 HydrophobicContact CG1-CG2 4.01Å; T7-R9 PolarHBondContact O-N 3.25Å; T7-F10 WeakPolarHBondContact CA-O 3.28Å; T7-F10 WeakPolarHBondContact CB-O 3.41Å; T7-F10 PolarHBondContact N-O 2.93Å; T7-F10 CarbonylContact O-C 3.47Å; T7-F10 PolarHBondContact O-N 3.43Å; T7-F10 PolarHBondContact OG1-N 3.08Å; T7-F10 PolarHBondContact OG1-O 2.96Å; T7-I92 HydrophobicContact CG2-CD1 3.94Å; T7-K104 HydrophobicContact CG2-CD 3.83Å; T7-K104 PolarHBondContact OG1-NZ 3Å; T7-K104 VanDerWaalsContact OG1-NZ 3.09Å
8D32.6Very low39.1Very low179 Ų17962.5 Ų62.596%0.95729%0.287SS*.THydrogen-bonded Turntrans-52.2-21.8-172.8-70.8-20.7000115
9R32.1Very low39.5Very low214 Ų21462.7 Ų62.781%0.80829%0.293SS*.THydrogen-bonded Turntrans-110.2-20177.9-64.6-170.5-176.9-175.11.8114.7T7T7-R9 PolarHBondContact O-N 3.25Å
10F37.5Very low39.8Very low124 Ų12461.3 Ų61.354%0.54429%0.289SS..EExtended strand (participates in β ladder)trans-150.4128.3-174.3-58.3-77.5000110.6T7 E12T7-F10 WeakPolarHBondContact CA-O 3.28Å; T7-F10 WeakPolarHBondContact CB-O 3.41Å; T7-F10 PolarHBondContact N-O 2.93Å; T7-F10 CarbonylContact O-C 3.47Å; T7-F10 PolarHBondContact O-N 3.43Å; T7-F10 PolarHBondContact OG1-N 3.08Å; T7-F10 PolarHBondContact OG1-O 2.96Å; F10-E12 HydrophobicContact CB-CG 4.26Å
11R40.3Very low40Very low122 Ų12259.4 Ų59.446%0.4629%0.286SS..EExtended strand (participates in β ladder)trans-89107167-170.4176-179.7139.7-2.9108.2E6E6-R11 HydrophobicContact CB-CG 4.5Å; E6-R11 HydrophobicContact CG-CB 4.46Å; E6-R11 HydrophobicContact CG-CG 4.17Å; E6-R11 WeakPolarHBondContact OE1-CD 3.29Å; E6-R11 IonicContact OE1-CZ 3.63Å; E6-R11 IonicContact OE1-NE 2.89Å; E6-R11 IonicContact OE1-NH1 3.69Å; E6-R11 PolarHBondContact OE1-NH1 3.2Å; E6-R11 IonicContact OE2-NH1 3.57Å
12E45.6Very low40.5Very low14 Ų1465.5 Ų65.57%0.06531%0.31CS..EExtended strand (participates in β ladder)trans-113.9119.4178.7-69.3178.9148.100108.7V5 F10 R59 K104 W113V5-E12 CarbonylContact C-O 3.42Å; V5-E12 WeakPolarHBondContact CA-O 3.4Å; V5-E12 PolarHBondContact N-O 3.5Å; V5-E12 PolarHBondContact O-N 2.75Å; F10-E12 HydrophobicContact CB-CG 4.26Å; E12-R59 IonicContact OE1-NE 2.78Å; E12-K104 WeakPolarHBondContact OE2-CE 3.35Å; E12-K104 IonicContact OE2-NZ 3.13Å; E12-K104 PolarHBondContact OE2-NZ 3.2Å; E12-W113 PolarHBondContact OE2-NE1 2.85Å
13D44.7Very low40.7Very low1 Ų171 Ų711%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-88.9135.9175.6-63.5-11.3000107.7I4 F58 A61 I64I4-D13 HydrophobicContact CG1-CB 4.18Å; I4-D13 WeakPolarHBondContact CG2-OD1 3.47Å; D13-F58 PolarHBondContact N-O 2.93Å; D13-F58 WeakPolarHBondContact O-CA 3Å; D13-F58 WeakPolarHBondContact O-CB 3.47Å; D13-F58 VanDerWaalsContact O-CD2 3.3Å; D13-F58 WeakPolarHBondContact O-CD2 3.33Å; D13-F58 PolarHBondContact O-N 3.45Å; D13-A61 HydrophobicContact CB-CB 3.68Å; D13-A61 VanDerWaalsContact CG-CB 3.5Å; D13-A61 WeakPolarHBondContact OD2-CB 3.32Å; D13-I64 HydrophobicContact CB-CD1 4.29Å; D13-I64 VanDerWaalsContact OD2-CB 3.25Å; D13-I64 WeakPolarHBondContact OD2-CB 3.37Å
14I46.9Very low40.6Very low0 Ų070 Ų700%034%0.344CS..EExtended strand (participates in β ladder)trans-123.1104.8-175.5-49.2178.6000109.7Y3 V5 F16 V55 A56 I57 L102 W113Y3-I14 CarbonylContact C-O 3.37Å; Y3-I14 PolarHBondContact N-O 3.34Å; Y3-I14 CarbonylContact O-C 3.54Å; Y3-I14 VanDerWaalsContact O-C 3.25Å; Y3-I14 VanDerWaalsContact O-CA 3.29Å; Y3-I14 WeakPolarHBondContact O-CA 2.98Å; Y3-I14 PolarHBondContact O-N 2.97Å; V5-I14 HydrophobicContact CB-CD1 4.02Å; V5-I14 HydrophobicContact CG2-CD1 3.5Å; V5-I14 HydrophobicContact CG2-CG1 4.17Å; I14-F16 HydrophobicContact CB-CE2 3.95Å; I14-F16 HydrophobicContact CB-CZ 4.3Å; I14-F16 HydrophobicContact CG2-CD2 4.11Å; I14-F16 HydrophobicContact CG2-CE1 4.01Å; I14-F16 HydrophobicContact CG2-CE2 3.4Å; I14-F16 HydrophobicContact CG2-CZ 3.36Å; I14-F16 WeakPolarHBondContact O-CD2 3.49Å; I14-V55 HydrophobicContact CG2-CG1 4.3Å; I14-A56 WeakPolarHBondContact CG2-O 3.29Å; I14-I57 HydrophobicContact CG1-CG2 4.36Å; I14-I57 HydrophobicContact CG2-CG1 4.1Å; I14-L102 HydrophobicContact CD1-CD2 3.66Å; I14-L102 HydrophobicContact CG2-CD2 3.77Å; I14-W113 HydrophobicContact CD1-CD2 4.24Å; I14-W113 HydrophobicContact CD1-CE3 4.17Å; I14-W113 HydrophobicContact CD1-CH2 3.14Å; I14-W113 HydrophobicContact CD1-CZ2 3.25Å; I14-W113 HydrophobicContact CD1-CZ3 3.63Å; I14-W113 HydrophobicContact CG1-CZ2 4.3Å
15L47.2Very low40.8Very low6 Ų671.1 Ų71.13%0.03135%0.348CS..EExtended strand (participates in β ladder)trans-92.2119.2177.1-170.156.1000110.8L2 V26 V28 L33 A56 F58L2-L15 HydrophobicContact CB-CD1 3.45Å; L2-L15 VanDerWaalsContact CB-CD1 3.45Å; L2-L15 HydrophobicContact CD1-CB 3.65Å; L2-L15 HydrophobicContact CD1-CD1 3.53Å; L2-L15 HydrophobicContact CD1-CG 4.11Å; L2-L15 HydrophobicContact CD2-CD1 4.19Å; L2-L15 HydrophobicContact CG-CD1 3.88Å; L15-V26 HydrophobicContact CD2-CB 3.69Å; L15-V26 HydrophobicContact CD2-CG1 3.31Å; L15-V26 HydrophobicContact CD2-CG2 4.15Å; L15-V26 HydrophobicContact CG-CG1 3.86Å; L15-V28 HydrophobicContact CD1-CG2 3.73Å; L15-V28 HydrophobicContact CD2-CG2 4.11Å; L15-V28 HydrophobicContact CG-CG2 4.09Å; L15-L33 HydrophobicContact CD1-CD1 4.48Å; L15-L33 HydrophobicContact CD2-CD1 3.55Å; L15-A56 PolarHBondContact N-O 2.93Å; L15-A56 PolarHBondContact O-N 2.83Å; L15-F58 HydrophobicContact CB-CD2 3.84Å; L15-F58 HydrophobicContact CB-CE2 3.06Å; L15-F58 HydrophobicContact CB-CZ 3.51Å; L15-F58 HydrophobicContact CD2-CE2 4.46Å; L15-F58 HydrophobicContact CD2-CZ 4.09Å; L15-F58 HydrophobicContact CG-CE2 4.31Å; L15-F58 HydrophobicContact CG-CZ 4.37Å
16F46.4Very low41.2Very low15 Ų1570.2 Ų70.27%0.06634%0.343CS..EExtended strand (participates in β ladder)trans-92.5124.7171.4-60.6-86.1000109.7M1 Y3 I14 V55 V95 V97 L102M1-F16 PolarHBondContact N-O 2.93Å; M1-F16 WeakPolarHBondContact O-CB 3.3Å; M1-F16 PolarHBondContact O-N 3.16Å; Y3-F16 AromaticContact CD2-CD2 3.47Å; Y3-F16 HydrophobicContact CD2-CD2 3.47Å; Y3-F16 VanDerWaalsContact CD2-CD2 3.47Å; Y3-F16 AromaticContact CD2-CE2 3.74Å; Y3-F16 HydrophobicContact CD2-CE2 3.74Å; Y3-F16 HydrophobicContact CE2-CD2 4.15Å; Y3-F16 HydrophobicContact CG-CD2 4.33Å; Y3-F16 HydrophobicContact CG-CE2 4.21Å; I14-F16 HydrophobicContact CB-CE2 3.95Å; I14-F16 HydrophobicContact CB-CZ 4.3Å; I14-F16 HydrophobicContact CG2-CD2 4.11Å; I14-F16 HydrophobicContact CG2-CE1 4.01Å; I14-F16 HydrophobicContact CG2-CE2 3.4Å; I14-F16 HydrophobicContact CG2-CZ 3.36Å; I14-F16 WeakPolarHBondContact O-CD2 3.49Å; F16-V55 HydrophobicContact CD1-CB 4.11Å; F16-V55 HydrophobicContact CD1-CG1 3.77Å; F16-V55 HydrophobicContact CD1-CG2 3.72Å; F16-V55 HydrophobicContact CE1-CB 4.03Å; F16-V55 HydrophobicContact CE1-CG1 3.32Å; F16-V55 HydrophobicContact CE1-CG2 3.67Å; F16-V55 HydrophobicContact CZ-CG1 4.2Å; F16-V95 HydrophobicContact CE2-CB 4.33Å; F16-V95 HydrophobicContact CE2-CG1 3.71Å; F16-V95 HydrophobicContact CZ-CB 4.27Å; F16-V95 HydrophobicContact CZ-CG1 4.03Å; F16-V97 HydrophobicContact CB-CG1 4.37Å; F16-V97 HydrophobicContact CD1-CB 4Å; F16-V97 HydrophobicContact CD1-CG1 3.19Å; F16-V97 HydrophobicContact CD1-CG2 3.55Å; F16-V97 HydrophobicContact CD2-CG2 4.49Å; F16-V97 HydrophobicContact CE1-CB 3.91Å; F16-V97 HydrophobicContact CE1-CG1 3.59Å; F16-V97 HydrophobicContact CE1-CG2 3.02Å; F16-V97 HydrophobicContact CE2-CG2 4.04Å; F16-V97 HydrophobicContact CG-CG1 3.91Å; F16-V97 HydrophobicContact CG-CG2 4.23Å; F16-V97 HydrophobicContact CZ-CB 4.5Å; F16-V97 HydrophobicContact CZ-CG2 3.26Å; F16-L102 HydrophobicContact CE1-CB 4.35Å; F16-L102 HydrophobicContact CE1-CD2 4.19Å; F16-L102 HydrophobicContact CZ-CB 4.11Å; F16-L102 HydrophobicContact CZ-CD2 3.8Å
17T46Very low41.7Very low2 Ų266.2 Ų66.21%0.01233%0.325CS..EExtended strand (participates in β ladder)trans-136.5147.6-168.61730000110.9T19 V20 V26 I27 K54 A56T17-T19 VanDerWaalsContact C-N 3.34Å; T17-T19 PolarHBondContact OG1-N 3.15Å; T17-T19 VanDerWaalsContact OG1-N 3.16Å; T17-T19 PolarHBondContact OG1-O 3.05Å; T17-V20 HydrophobicContact CG2-CG2 3.9Å; T17-V26 HydrophobicContact CG2-CG1 3.52Å; T17-V26 VanDerWaalsContact OG1-CG1 3.25Å; T17-V26 WeakPolarHBondContact OG1-CG1 3.25Å; T17-I27 WeakPolarHBondContact CB-O 2.92Å; T17-I27 PolarHBondContact OG1-N 2.56Å; T17-I27 PolarHBondContact OG1-O 3.16Å; T17-K54 PolarHBondContact N-O 3.24Å; T17-K54 VanDerWaalsContact N-O 3.11Å; T17-K54 CarbonylContact O-C 3.41Å; T17-K54 WeakPolarHBondContact O-CA 3.49Å; T17-K54 WeakPolarHBondContact O-CB 3.45Å; T17-K54 PolarHBondContact O-N 2.74Å; T17-A56 HydrophobicContact CG2-CB 4.25Å
18D42.7Very low41.8Very low85 Ų8567 Ų6746%0.45533%0.33SS..SBendtrans-81-22.5175.3-54.2-46.6000110.9I27 G29D18-I27 PolarHBondContact N-O 3.35Å; D18-G29 PolarHBondContact OD2-N 2.77Å
19T45.6Very low42.1Very low66 Ų6660.7 Ų60.741%0.40531%0.307SS..EExtended strand (participates in β ladder)trans-154.4124.3-175.4-57.40000111.5T17 I27T17-T19 VanDerWaalsContact C-N 3.34Å; T17-T19 PolarHBondContact OG1-N 3.15Å; T17-T19 VanDerWaalsContact OG1-N 3.16Å; T17-T19 PolarHBondContact OG1-O 3.05Å; T19-I27 HydrophobicContact CG2-CD1 4.12Å; T19-I27 WeakPolarHBondContact O-CB 3.48Å; T19-I27 PolarHBondContact O-N 3Å
20V46Very low42.2Very low35 Ų3560.8 Ų60.821%0.21231%0.313CS..EExtended strand (participates in β ladder)trans-90.1118.7164.7-179.30000108.1T17 V44T17-V20 HydrophobicContact CG2-CG2 3.9Å; V20-V44 HydrophobicContact CB-CG1 4.34Å; V20-V44 HydrophobicContact CG1-CB 4.37Å; V20-V44 HydrophobicContact CG1-CG1 3.55Å; V20-V44 HydrophobicContact CG2-CG1 3.78Å
21G43.5Very low42Very low22 Ų2262.9 Ų62.923%0.22732%0.322CS..  trans-76.7159.7174.900000112.3N23 G24 Q25G21-N23 PolarHBondContact O-N 3.29Å; G21-G24 PolarHBondContact O-N 3.16Å; G21-Q25 PolarHBondContact N-O 2.94Å
22K47.5Very low41.9Very low214 Ų21461.9 Ų61.993%0.9333%0.325SS*.THydrogen-bonded Turntrans-57.6-18.7-173.3-66-174.2177.6-177.10115.8
23N41.8Very low41.4Very low127 Ų12764.1 Ų64.168%0.67934%0.337SS*.THydrogen-bonded Turntrans-114.330.7-175.5-60.2-5.6000112.3G21 Q25G21-N23 PolarHBondContact O-N 3.29Å; N23-Q25 PolarHBondContact O-N 3.45Å
24G34.3Very low41Very low27 Ų2767.1 Ų67.128%0.27836%0.356SS..SBendtrans69.910.4-175.900000114.4G21 V26G21-G24 PolarHBondContact O-N 3.16Å; G24-V26 PolarHBondContact O-N 3.27Å
25Q38.3Very low40.4Very low72 Ų7269 Ų6934%0.33637%0.372SS..  trans-71.2130.3174.1-69.1-178.517.100109.5G21 N23 A35G21-Q25 PolarHBondContact N-O 2.94Å; N23-Q25 PolarHBondContact O-N 3.45Å; Q25-A35 HydrophobicContact CG-CB 4.11Å
26V42.2Very low39.5Very low0 Ų074.3 Ų74.30%041%0.405CS..EExtended strand (participates in β ladder)trans-106.7122.5-179.8-173.40000109.7L15 T17 G24 V28 L33 V44 F58L15-V26 HydrophobicContact CD2-CB 3.69Å; L15-V26 HydrophobicContact CD2-CG1 3.31Å; L15-V26 HydrophobicContact CD2-CG2 4.15Å; L15-V26 HydrophobicContact CG-CG1 3.86Å; T17-V26 HydrophobicContact CG2-CG1 3.52Å; T17-V26 VanDerWaalsContact OG1-CG1 3.25Å; T17-V26 WeakPolarHBondContact OG1-CG1 3.25Å; G24-V26 PolarHBondContact O-N 3.27Å; V26-V28 HydrophobicContact CG1-CG2 4.22Å; V26-L33 PolarHBondContact O-N 2.89Å; V26-V44 HydrophobicContact CG2-CG2 4.24Å; V26-F58 HydrophobicContact CG2-CE1 4.24Å; V26-F58 HydrophobicContact CG2-CZ 4.04Å
27I39Very low38.8Very low45 Ų4581.2 Ų81.223%0.23144%0.435CS..EExtended strand (participates in β ladder)trans-99.1112.8-179.1-52.8-177000109.2T17 D18 T19 G29 I32T17-I27 WeakPolarHBondContact CB-O 2.92Å; T17-I27 PolarHBondContact OG1-N 2.56Å; T17-I27 PolarHBondContact OG1-O 3.16Å; D18-I27 PolarHBondContact N-O 3.35Å; T19-I27 HydrophobicContact CG2-CD1 4.12Å; T19-I27 WeakPolarHBondContact O-CB 3.48Å; T19-I27 PolarHBondContact O-N 3Å; I27-G29 WeakPolarHBondContact CG2-O 3.25Å; I27-I32 HydrophobicContact CG1-CG1 4.26Å
28V38.5Very low38Very low38 Ų3881.4 Ų81.423%0.2344%0.436CS..EExtended strand (participates in β ladder)trans-109.499.5-179.6-170.30000107.7M1 L15 V26 K30 K31 L33M1-V28 VanDerWaalsContact N-CG1 3.33Å; L15-V28 HydrophobicContact CD1-CG2 3.73Å; L15-V28 HydrophobicContact CD2-CG2 4.11Å; L15-V28 HydrophobicContact CG-CG2 4.09Å; V26-V28 HydrophobicContact CG1-CG2 4.22Å; V28-K30 PolarHBondContact O-N 3.29Å; V28-K31 PolarHBondContact N-O 2.8Å; V28-K31 PolarHBondContact O-N 3.24Å; V28-K31 VanDerWaalsContact O-N 3.16Å; V28-L33 HydrophobicContact CG2-CD1 3.94Å
29G38.9Very low37.2Very low45 Ų4580.8 Ų80.846%0.46444%0.444SS..THydrogen-bonded Turntrans60.3-121.6-169.800000111.6D18 I27D18-G29 PolarHBondContact OD2-N 2.77Å; I27-G29 WeakPolarHBondContact CG2-O 3.25Å
30K34.1Very low36.6Very low217 Ų21779.7 Ų79.794%0.94344%0.439SS*.THydrogen-bonded Turntrans-91.90.2178.2-64.3-175.8-179.5179.60114.2V28V28-K30 PolarHBondContact O-N 3.29Å
31K33.2Very low36Very low167 Ų16779.2 Ų79.273%0.72644%0.435SS*.EExtended strand (participates in β ladder)trans-103.5121.4-178.3-72.5-176.4178.4178.70110V28V28-K31 PolarHBondContact N-O 2.8Å; V28-K31 PolarHBondContact O-N 3.24Å; V28-K31 VanDerWaalsContact O-N 3.16Å
32I37.1Very low35.6Very low102 Ų10287.1 Ų87.152%0.52346%0.458SS..EExtended strand (participates in β ladder)trans-85.6119.9170.3-56.7174.4000107I27I27-I32 HydrophobicContact CG1-CG1 4.26Å
33L35.6Very low35.2Very low60 Ų6080.5 Ų80.531%0.31443%0.432SS..EExtended strand (participates in β ladder)trans-76.8125.7170.3-73.1165.6000108.6L15 V26 V28 A35L15-L33 HydrophobicContact CD1-CD1 4.48Å; L15-L33 HydrophobicContact CD2-CD1 3.55Å; V26-L33 PolarHBondContact O-N 2.89Å; V28-L33 HydrophobicContact CG2-CD1 3.94Å; L33-A35 PolarHBondContact O-N 2.78Å
34P36.1Very low35.2Very low65 Ų6576.2 Ų76.242%0.42241%0.41SS..PPolyproline II helixtrans-61.8137178.50.13.7000110.1T36 K37 A38P34-T36 PolarHBondContact O-N 3.35Å; P34-K37 PolarHBondContact O-N 3.16Å; P34-A38 PolarHBondContact O-N 2.77Å; P34-A38 VanDerWaalsContact O-N 3.08Å
35A33.8Very low35.6Very low40 Ų4077.8 Ų77.833%0.33142%0.415SS..THydrogen-bonded Turntrans-52.5-24.1179.700000113Q25 L33 A38 A39Q25-A35 HydrophobicContact CG-CB 4.11Å; L33-A35 PolarHBondContact O-N 2.78Å; A35-A38 CarbonylContact O-C 2.93Å; A35-A38 VanDerWaalsContact O-CA 3.29Å; A35-A38 WeakPolarHBondContact O-CA 3Å; A35-A38 WeakPolarHBondContact O-CB 3.12Å; A35-A38 PolarHBondContact O-N 2.76Å; A35-A39 WeakPolarHBondContact O-CA 3.4Å; A35-A39 PolarHBondContact O-N 2.85Å
36T28.7Very low35.8Very low117 Ų11778.7 Ų78.772%0.71842%0.419SS*.THydrogen-bonded Turntrans-75.7-32177.347.20000114.4P34 A38 A39P34-T36 PolarHBondContact O-N 3.35Å; T36-A38 VanDerWaalsContact C-N 3.27Å; T36-A39 VanDerWaalsContact O-CB 3.28Å; T36-A39 WeakPolarHBondContact O-CB 3.35Å; T36-A39 PolarHBondContact O-N 3.21Å; T36-A39 VanDerWaalsContact O-N 3.16Å
37K31.3Very low36Very low159 Ų15981.3 Ų81.369%0.69143%0.429SS*.THydrogen-bonded Turntrans-76.7-23.9165-75.8-171.3176.8-176.60111.2P34 A39P34-K37 PolarHBondContact O-N 3.16Å; K37-A39 VanDerWaalsContact C-N 3.29Å
38A29.9Very low36Very low6 Ų680.1 Ų80.15%0.0543%0.428CS..THydrogen-bonded Turntrans-82.15.7162.800000113.5P34 A35 T36 S40 I41P34-A38 PolarHBondContact O-N 2.77Å; P34-A38 VanDerWaalsContact O-N 3.08Å; A35-A38 CarbonylContact O-C 2.93Å; A35-A38 VanDerWaalsContact O-CA 3.29Å; A35-A38 WeakPolarHBondContact O-CA 3Å; A35-A38 WeakPolarHBondContact O-CB 3.12Å; A35-A38 PolarHBondContact O-N 2.76Å; T36-A38 VanDerWaalsContact C-N 3.27Å; A38-S40 PolarHBondContact O-N 3.2Å; A38-S40 VanDerWaalsContact O-N 3.15Å; A38-I41 VanDerWaalsContact CA-CD1 3.43Å; A38-I41 HydrophobicContact CB-CB 4.09Å; A38-I41 HydrophobicContact CB-CD1 3.25Å; A38-I41 HydrophobicContact CB-CG1 3.79Å; A38-I41 VanDerWaalsContact O-CA 3.3Å; A38-I41 WeakPolarHBondContact O-CA 3.2Å; A38-I41 WeakPolarHBondContact O-CB 3.03Å; A38-I41 WeakPolarHBondContact O-CG1 3.37Å; A38-I41 PolarHBondContact O-N 3.23Å
39A26Very low36Very low73 Ų7381.6 Ų81.660%0.60344%0.44SS*.THydrogen-bonded Turntrans-73.6-13.4-175.600000112.2A35 T36 K37 I41A35-A39 WeakPolarHBondContact O-CA 3.4Å; A35-A39 PolarHBondContact O-N 2.85Å; T36-A39 VanDerWaalsContact O-CB 3.28Å; T36-A39 WeakPolarHBondContact O-CB 3.35Å; T36-A39 PolarHBondContact O-N 3.21Å; T36-A39 VanDerWaalsContact O-N 3.16Å; K37-A39 VanDerWaalsContact C-N 3.29Å; A39-I41 VanDerWaalsContact C-N 3.25Å
40S31.7Very low35.9Very low43 Ų4379.9 Ų79.930%0.30142%0.421SS..THydrogen-bonded Turntrans-83.2-2.3165.359.20000113.1A38 R42 D60A38-S40 PolarHBondContact O-N 3.2Å; A38-S40 VanDerWaalsContact O-N 3.15Å; S40-R42 PolarHBondContact O-N 3.11Å; S40-D60 VanDerWaalsContact O-O 3.09Å
41I35.4Very low36.3Very low25 Ų2578.5 Ų78.513%0.12842%0.415CS..  trans-88.789.7173.9-56-178.9000104.6A38 A39 D43 V44 F58A38-I41 VanDerWaalsContact CA-CD1 3.43Å; A38-I41 HydrophobicContact CB-CB 4.09Å; A38-I41 HydrophobicContact CB-CD1 3.25Å; A38-I41 HydrophobicContact CB-CG1 3.79Å; A38-I41 VanDerWaalsContact O-CA 3.3Å; A38-I41 WeakPolarHBondContact O-CA 3.2Å; A38-I41 WeakPolarHBondContact O-CB 3.03Å; A38-I41 WeakPolarHBondContact O-CG1 3.37Å; A38-I41 PolarHBondContact O-N 3.23Å; A39-I41 VanDerWaalsContact C-N 3.25Å; I41-D43 VanDerWaalsContact C-N 3.31Å; I41-V44 HydrophobicContact CG2-CB 4.29Å; I41-V44 HydrophobicContact CG2-CG2 3.13Å; I41-F58 HydrophobicContact CB-CD1 3.53Å; I41-F58 HydrophobicContact CB-CE1 3.84Å; I41-F58 HydrophobicContact CD1-CD1 3.34Å; I41-F58 HydrophobicContact CD1-CE1 3.11Å; I41-F58 HydrophobicContact CD1-CG 4.41Å; I41-F58 HydrophobicContact CD1-CZ 4.1Å; I41-F58 HydrophobicContact CG1-CD1 3.22Å; I41-F58 HydrophobicContact CG1-CE1 3.55Å; I41-F58 HydrophobicContact CG1-CG 4.27Å; I41-F58 HydrophobicContact CG2-CD1 3.18Å; I41-F58 HydrophobicContact CG2-CE1 3.22Å; I41-F58 HydrophobicContact CG2-CG 4.5Å
42R33.9Very low36.4Very low188 Ų18873.3 Ų73.371%0.70941%0.408SS*.  trans-71.2-34.8176.1-72.8-174.2172.2-177.3-4110.9S40S40-R42 PolarHBondContact O-N 3.11Å
43D40.1Very low36.5Very low75 Ų7569.5 Ų69.540%0.40139%0.392SS..  trans-13487.9-171.2-54.3-52.5000111.2I41 T45 I57I41-D43 VanDerWaalsContact C-N 3.31Å; D43-T45 PolarHBondContact O-N 2.97Å; D43-I57 VanDerWaalsContact O-O 3.09Å
44V40.6Very low36.6Very low36 Ų3669.3 Ų69.322%0.21839%0.389CS..  trans-77.599.5160.7-1720000107.5V20 V26 I41 A56 F58V20-V44 HydrophobicContact CB-CG1 4.34Å; V20-V44 HydrophobicContact CG1-CB 4.37Å; V20-V44 HydrophobicContact CG1-CG1 3.55Å; V20-V44 HydrophobicContact CG2-CG1 3.78Å; V26-V44 HydrophobicContact CG2-CG2 4.24Å; I41-V44 HydrophobicContact CG2-CB 4.29Å; I41-V44 HydrophobicContact CG2-CG2 3.13Å; V44-A56 HydrophobicContact CG1-CB 3.79Å; V44-F58 HydrophobicContact CG2-CE1 3.89Å
45T42.2Very low36.9Very low60 Ų6066.3 Ų66.337%0.36837%0.369SS..EExtended strand (participates in β ladder)trans-101.6128.7167.9-56.50000108.8D43 Y47D43-T45 PolarHBondContact O-N 2.97Å; T45-Y47 WeakPolarHBondContact CB-OH 3.37Å; T45-Y47 HydrophobicContact CG2-CD1 3.83Å; T45-Y47 HydrophobicContact CG2-CD2 4.39Å; T45-Y47 HydrophobicContact CG2-CE1 3.37Å; T45-Y47 HydrophobicContact CG2-CE2 4.01Å; T45-Y47 HydrophobicContact CG2-CG 4.34Å; T45-Y47 WeakPolarHBondContact O-CD2 3.3Å; T45-Y47 WeakPolarHBondContact O-CE2 3.21Å; T45-Y47 PolarHBondContact O-N 2.86Å
46E44.1Very low37.2Very low92 Ų9264.4 Ų64.443%0.4335%0.353SS..EExtended strand (participates in β ladder)trans-80104.2172.3-179.3174.1163.600108G48 K54E46-G48 VanDerWaalsContact C-N 3.34Å; E46-K54 HydrophobicContact CG-CD 4.37Å; E46-K54 WeakPolarHBondContact OE1-CD 3.45Å; E46-K54 WeakPolarHBondContact OE1-CE 3.18Å; E46-K54 IonicContact OE1-NZ 3.3Å; E46-K54 PolarHBondContact OE1-NZ 2.96Å; E46-K54 IonicContact OE2-NZ 2.73Å; E46-K54 PolarHBondContact OE2-NZ 3.21Å
47Y44.7Very low37.9Very low55 Ų5559 Ų5922%0.21632%0.32CS..EExtended strand (participates in β ladder)trans-88.2-3.8-173.2-67.1-73.8000114.2T45 V55 I57 L127T45-Y47 WeakPolarHBondContact CB-OH 3.37Å; T45-Y47 HydrophobicContact CG2-CD1 3.83Å; T45-Y47 HydrophobicContact CG2-CD2 4.39Å; T45-Y47 HydrophobicContact CG2-CE1 3.37Å; T45-Y47 HydrophobicContact CG2-CE2 4.01Å; T45-Y47 HydrophobicContact CG2-CG 4.34Å; T45-Y47 WeakPolarHBondContact O-CD2 3.3Å; T45-Y47 WeakPolarHBondContact O-CE2 3.21Å; T45-Y47 PolarHBondContact O-N 2.86Å; Y47-V55 PolarHBondContact N-O 3.15Å; Y47-I57 HydrophobicContact CD2-CB 4.06Å; Y47-I57 HydrophobicContact CD2-CD1 3.67Å; Y47-I57 HydrophobicContact CD2-CG1 3.7Å; Y47-I57 HydrophobicContact CE2-CB 3.52Å; Y47-I57 HydrophobicContact CE2-CD1 3.76Å; Y47-I57 HydrophobicContact CE2-CG1 3.71Å; Y47-I57 HydrophobicContact CG-CD1 4.19Å; Y47-L127 HydrophobicContact CD1-CD2 3.31Å; Y47-L127 HydrophobicContact CE1-CD2 3.24Å; Y47-L127 HydrophobicContact CG-CD2 4.14Å
48G39.6Very low38.4Very low19 Ų1951.5 Ų51.520%0.19629%0.288CS..EExtended strand (participates in β ladder)trans149169.4178.300000112.5E46 V55E46-G48 VanDerWaalsContact C-N 3.34Å; G48-V55 PolarHBondContact O-N 3.26Å
49S39.9Very low38.9Very low70 Ų7054.6 Ų54.649%0.4930%0.298SS..EExtended strand (participates in β ladder)trans-119.6117.2176.6650000110.1A53S49-A53 CarbonylContact C-O 3.54Å; S49-A53 WeakPolarHBondContact CA-O 3.46Å
50C36Very low39.3Very low8 Ų853.8 Ų53.85%0.05428%0.284CS..EExtended strand (participates in β ladder)trans-99.5105.6168.8175.80000108.9G52 A53 C100 L115C50-G52 PolarHBondContact O-N 2.87Å; C50-A53 PolarHBondContact N-O 3.39Å; C50-A53 PolarHBondContact O-N 2.94Å; C50-C100 HydrophobicContact CB-CB 3.82Å; C50-C100 WeakPolarHBondContact CB-SG 3.5Å; C50-C100 WeakPolarHBondContact SG-CB 3.31Å; C50-C100 CovalentContact SG-SG 2.04Å; C50-C100 PolarHBondContact SG-SG 3.3Å; C50-L115 HydrophobicContact CB-CD2 4.15Å
51K41.5Very low39.3Very low189 Ų18952 Ų5282%0.82227%0.272SS*.THydrogen-bonded Turntrans37.245.9177.6-71.4-171.4175.81790114.3
52G36.6Very low39.1Very low57 Ų5760.4 Ų60.459%0.58830%0.302SS*.THydrogen-bonded Turntrans102.7-10.9177.300000116.3C50C50-G52 PolarHBondContact O-N 2.87Å
53A37.8Very low38.7Very low23 Ų2362.5 Ų62.519%0.1931%0.309CS..EExtended strand (participates in β ladder)trans-93.6125.6173.700000110.5S49 C50S49-A53 CarbonylContact C-O 3.54Å; S49-A53 WeakPolarHBondContact CA-O 3.46Å; C50-A53 PolarHBondContact N-O 3.39Å; C50-A53 PolarHBondContact O-N 2.94Å
54K38.4Very low38.2Very low56 Ų5660.6 Ų60.624%0.24330%0.299CS..EExtended strand (participates in β ladder)trans-96.2135.5172.3-63.7-175.2172.3-146.30109.5T17 E46T17-K54 PolarHBondContact N-O 3.24Å; T17-K54 VanDerWaalsContact N-O 3.11Å; T17-K54 CarbonylContact O-C 3.41Å; T17-K54 WeakPolarHBondContact O-CA 3.49Å; T17-K54 WeakPolarHBondContact O-CB 3.45Å; T17-K54 PolarHBondContact O-N 2.74Å; E46-K54 HydrophobicContact CG-CD 4.37Å; E46-K54 WeakPolarHBondContact OE1-CD 3.45Å; E46-K54 WeakPolarHBondContact OE1-CE 3.18Å; E46-K54 IonicContact OE1-NZ 3.3Å; E46-K54 PolarHBondContact OE1-NZ 2.96Å; E46-K54 IonicContact OE2-NZ 2.73Å; E46-K54 PolarHBondContact OE2-NZ 3.21Å
55V42Very low37.5Very low1 Ų163.4 Ų63.41%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-101.6124.3176.7-175.50000109I14 F16 Y47 G48 I57 V97 L102 L115I14-V55 HydrophobicContact CG2-CG1 4.3Å; F16-V55 HydrophobicContact CD1-CB 4.11Å; F16-V55 HydrophobicContact CD1-CG1 3.77Å; F16-V55 HydrophobicContact CD1-CG2 3.72Å; F16-V55 HydrophobicContact CE1-CB 4.03Å; F16-V55 HydrophobicContact CE1-CG1 3.32Å; F16-V55 HydrophobicContact CE1-CG2 3.67Å; F16-V55 HydrophobicContact CZ-CG1 4.2Å; Y47-V55 PolarHBondContact N-O 3.15Å; G48-V55 PolarHBondContact O-N 3.26Å; V55-I57 HydrophobicContact CG1-CG1 4.19Å; V55-V97 HydrophobicContact CG2-CG1 4.32Å; V55-L102 HydrophobicContact CG1-CD1 4.2Å; V55-L102 HydrophobicContact CG1-CD2 4.15Å; V55-L115 HydrophobicContact CG2-CD1 3.99Å; V55-L115 HydrophobicContact CG2-CD2 3.86Å
56A41.7Very low36.7Very low0 Ų069.5 Ų69.50%034%0.342CS..EExtended strand (participates in β ladder)trans-112.9134.7166.400000108.8I14 L15 T17 V44 F58I14-A56 WeakPolarHBondContact CG2-O 3.29Å; L15-A56 PolarHBondContact N-O 2.93Å; L15-A56 PolarHBondContact O-N 2.83Å; T17-A56 HydrophobicContact CG2-CB 4.25Å; V44-A56 HydrophobicContact CG1-CB 3.79Å; A56-F58 VanDerWaalsContact C-CE2 3.46Å; A56-F58 HydrophobicContact CB-CE1 4.46Å; A56-F58 HydrophobicContact CB-CE2 3.52Å; A56-F58 HydrophobicContact CB-CZ 3.43Å; A56-F58 VanDerWaalsContact CB-CZ 3.43Å; A56-F58 WeakPolarHBondContact O-CE2 3.03Å
57I43.4Very low35.8Very low4 Ų470.2 Ų70.22%0.02135%0.348CS..EExtended strand (participates in β ladder)trans-114136.6177.1-56169.2000107.3I14 D43 Y47 V55 L102 W113I14-I57 HydrophobicContact CG1-CG2 4.36Å; I14-I57 HydrophobicContact CG2-CG1 4.1Å; D43-I57 VanDerWaalsContact O-O 3.09Å; Y47-I57 HydrophobicContact CD2-CB 4.06Å; Y47-I57 HydrophobicContact CD2-CD1 3.67Å; Y47-I57 HydrophobicContact CD2-CG1 3.7Å; Y47-I57 HydrophobicContact CE2-CB 3.52Å; Y47-I57 HydrophobicContact CE2-CD1 3.76Å; Y47-I57 HydrophobicContact CE2-CG1 3.71Å; Y47-I57 HydrophobicContact CG-CD1 4.19Å; V55-I57 HydrophobicContact CG1-CG1 4.19Å; I57-L102 HydrophobicContact CD1-CD2 4.23Å; I57-L102 HydrophobicContact CG1-CD2 4.34Å; I57-W113 HydrophobicContact CD1-CB 3.57Å; I57-W113 HydrophobicContact CD1-CD2 4.42Å; I57-W113 HydrophobicContact CD1-CG 3.71Å
58F40.5Very low35Very low1 Ų171 Ų710%0.00436%0.361CS..EExtended strand (participates in β ladder)trans-118.5113.2-172.8-53.3-97.3000109.3D13 L15 V26 I41 V44 A56D13-F58 PolarHBondContact N-O 2.93Å; D13-F58 WeakPolarHBondContact O-CA 3Å; D13-F58 WeakPolarHBondContact O-CB 3.47Å; D13-F58 VanDerWaalsContact O-CD2 3.3Å; D13-F58 WeakPolarHBondContact O-CD2 3.33Å; D13-F58 PolarHBondContact O-N 3.45Å; L15-F58 HydrophobicContact CB-CD2 3.84Å; L15-F58 HydrophobicContact CB-CE2 3.06Å; L15-F58 HydrophobicContact CB-CZ 3.51Å; L15-F58 HydrophobicContact CD2-CE2 4.46Å; L15-F58 HydrophobicContact CD2-CZ 4.09Å; L15-F58 HydrophobicContact CG-CE2 4.31Å; L15-F58 HydrophobicContact CG-CZ 4.37Å; V26-F58 HydrophobicContact CG2-CE1 4.24Å; V26-F58 HydrophobicContact CG2-CZ 4.04Å; I41-F58 HydrophobicContact CB-CD1 3.53Å; I41-F58 HydrophobicContact CB-CE1 3.84Å; I41-F58 HydrophobicContact CD1-CD1 3.34Å; I41-F58 HydrophobicContact CD1-CE1 3.11Å; I41-F58 HydrophobicContact CD1-CG 4.41Å; I41-F58 HydrophobicContact CD1-CZ 4.1Å; I41-F58 HydrophobicContact CG1-CD1 3.22Å; I41-F58 HydrophobicContact CG1-CE1 3.55Å; I41-F58 HydrophobicContact CG1-CG 4.27Å; I41-F58 HydrophobicContact CG2-CD1 3.18Å; I41-F58 HydrophobicContact CG2-CE1 3.22Å; I41-F58 HydrophobicContact CG2-CG 4.5Å; V44-F58 HydrophobicContact CG2-CE1 3.89Å; A56-F58 VanDerWaalsContact C-CE2 3.46Å; A56-F58 HydrophobicContact CB-CE1 4.46Å; A56-F58 HydrophobicContact CB-CE2 3.52Å; A56-F58 HydrophobicContact CB-CZ 3.43Å; A56-F58 VanDerWaalsContact CB-CZ 3.43Å; A56-F58 WeakPolarHBondContact O-CE2 3.03Å
59R40.2Very low34.4Very low71 Ų7176.7 Ų76.727%0.26839%0.387SS..EExtended strand (participates in β ladder)trans-85.8126.9166.9-71-179.7179.3170.92.4108E12E12-R59 IonicContact OE1-NE 2.78Å
60D34.2Very low33.7Very low57 Ų5777.9 Ų77.931%0.30539%0.388SS..  trans79.746.9176.8-155.57.5000117.9S40 R62S40-D60 VanDerWaalsContact O-O 3.09Å; D60-R62 VanDerWaalsContact C-N 3.34Å; D60-R62 PolarHBondContact O-N 2.98Å; D60-R62 VanDerWaalsContact O-N 3.16Å; D60-R62 WeakPolarHBondContact OD1-CG 3.45Å; D60-R62 IonicContact OD1-CZ 3.94Å; D60-R62 IonicContact OD1-NE 2.67Å; D60-R62 PolarHBondContact OD1-NE 3.4Å; D60-R62 IonicContact OD1-NH2 3.6Å; D60-R62 IonicContact OD2-CZ 2.83Å; D60-R62 IonicContact OD2-NE 3.77Å; D60-R62 IonicContact OD2-NH2 2.8Å; D60-R62 PolarHBondContact OD2-NH2 2.96Å
61A32.2Very low33.4Very low6 Ų684.1 Ų84.15%0.0542%0.421CS..  trans-86.876.1165.200000110.7D13 R63 I64D13-A61 HydrophobicContact CB-CB 3.68Å; D13-A61 VanDerWaalsContact CG-CB 3.5Å; D13-A61 WeakPolarHBondContact OD2-CB 3.32Å; A61-R63 PolarHBondContact O-N 3.05Å; A61-I64 HydrophobicContact CB-CD1 4.02Å; A61-I64 HydrophobicContact CB-CG1 4.1Å
62R30.3Very low32.9Very low201 Ų20181.1 Ų81.176%0.75841%0.414SS*.THydrogen-bonded Turntrans-57.64.3174.1-95.6178.1-96.3-174-6.9115.5D60D60-R62 VanDerWaalsContact C-N 3.34Å; D60-R62 PolarHBondContact O-N 2.98Å; D60-R62 VanDerWaalsContact O-N 3.16Å; D60-R62 WeakPolarHBondContact OD1-CG 3.45Å; D60-R62 IonicContact OD1-CZ 3.94Å; D60-R62 IonicContact OD1-NE 2.67Å; D60-R62 PolarHBondContact OD1-NE 3.4Å; D60-R62 IonicContact OD1-NH2 3.6Å; D60-R62 IonicContact OD2-CZ 2.83Å; D60-R62 IonicContact OD2-NE 3.77Å; D60-R62 IonicContact OD2-NH2 2.8Å; D60-R62 PolarHBondContact OD2-NH2 2.96Å
63R27.5Very low33Very low231 Ų23182.3 Ų82.387%0.87241%0.407SS*.THydrogen-bonded Turntrans-16234.8-171.6-130.4179.5-172-164.82.8118.3A61 S65A61-R63 PolarHBondContact O-N 3.05Å; R63-S65 PolarHBondContact O-N 2.73Å
64I29Very low32.9Very low36 Ų3689.7 Ų89.719%0.18544%0.443CS..  trans-98.584.8166-50.9-179.7000108.5L2 I4 D13 A61L2-I64 HydrophobicContact CD2-CD1 4.11Å; L2-I64 HydrophobicContact CD2-CG2 3.32Å; L2-I64 HydrophobicContact CG-CG2 4.31Å; I4-I64 HydrophobicContact CD1-CB 4.34Å; I4-I64 HydrophobicContact CD1-CG2 3.99Å; I4-I64 WeakPolarHBondContact CD1-O 3.48Å; D13-I64 HydrophobicContact CB-CD1 4.29Å; D13-I64 VanDerWaalsContact OD2-CB 3.25Å; D13-I64 WeakPolarHBondContact OD2-CB 3.37Å; A61-I64 HydrophobicContact CB-CD1 4.02Å; A61-I64 HydrophobicContact CB-CG1 4.1Å
65S25.4Very low32.8Very low94 Ų9491.3 Ų91.366%0.65745%0.454SS*.  trans-81.5121.4168.4630000109.3R63R63-S65 PolarHBondContact O-N 2.73Å
66K25.6Very low32.5Very low189 Ų18996 Ų9682%0.82248%0.479SS*.  trans71.4103.7164.6-60177.1174.6179.90116.1
67L25.9Very low32.1Very low107 Ų10798.8 Ų98.856%0.5650%0.498SS*.  trans-143.9100.4144-98.9144.8000107.9L2L2-L67 HydrophobicContact CB-CB 4.12Å; L2-L67 HydrophobicContact CB-CD1 4.14Å; L2-L67 HydrophobicContact CD2-CD1 3.85Å
68S26.3Very low31.4Very low71 Ų71106.2 Ų106.250%0.49753%0.53SS..  trans19114.2174.166.90000120N70S68-N70 PolarHBondContact O-N 2.78Å; S68-N70 VanDerWaalsContact O-N 3.15Å
69N27Very low31.2Very low138 Ų138112.5 Ų112.574%0.73856%0.564SS**  trans-50.6112.2150.6-61.22.6000108.6
70N26.4Very low30.9Very low96 Ų96110.3 Ų110.351%0.51356%0.561SS.*  trans-95.889.2158.7-132.444.9000104.8M1 S68 D72M1-N70 HydrophobicContact CE-CB 3.85Å; S68-N70 PolarHBondContact O-N 2.78Å; S68-N70 VanDerWaalsContact O-N 3.15Å; N70-D72 PolarHBondContact O-N 2.67Å
71D28.7Very low31.2Very low139 Ų139107.7 Ų107.774%0.74355%0.547SS*.  trans-75.936.2177.6-77.1-39.3000111.7
72D31.6Very low31.5Very low125 Ų125111.2 Ų111.267%0.66858%0.576SS**  trans-10681174.6-73.9-35.5000108.4N70N70-D72 PolarHBondContact O-N 2.67Å
73D40Very low32.1Very low82 Ų82110.2 Ų110.244%0.43958%0.577SS.*  trans-176.595.5146-88.8-26.1000108.5D75 K96D73-D75 PolarHBondContact O-N 2.65Å; D73-K96 IonicContact OD1-NZ 2.76Å; D73-K96 PolarHBondContact OD1-NZ 3.09Å; D73-K96 WeakPolarHBondContact OD2-CD 3.32Å; D73-K96 WeakPolarHBondContact OD2-CE 3.46Å; D73-K96 IonicContact OD2-NZ 3.93Å; D73-K96 PolarHBondContact OD2-NZ 2.91Å
74D33.9Very low32.7Very low178 Ų178103.3 Ų103.395%0.95255%0.551SS**  trans-67.618.9173-111-26.2000113.7D76D74-D76 PolarHBondContact O-N 3.4Å
75D37.4Very low33.2Very low90 Ų90102.6 Ų102.648%0.48155%0.551SS.*SBendtrans-81.8100.2174.5-79.7-25.4000108D73 P77 R101D73-D75 PolarHBondContact O-N 2.65Å; D75-P77 WeakPolarHBondContact O-CA 3.03Å; D75-P77 WeakPolarHBondContact O-CD 3.39Å; D75-R101 IonicContact OD2-NH1 3.69Å; D75-R101 IonicContact OD2-NH2 3.54Å; D75-R101 PolarHBondContact OD2-NH2 2.84Å; D75-R101 VanDerWaalsContact OD2-NH2 3.13Å
76D34.9Very low34.1Very low99 Ų99100.3 Ų100.353%0.52954%0.537SS..  trans-41.2107.2173.6-174.1-16000109D74 K78 N79D74-D76 PolarHBondContact O-N 3.4Å; D76-K78 PolarHBondContact O-N 2.96Å; D76-K78 PolarHBondContact OD1-N 3.06Å; D76-N79 PolarHBondContact O-N 3.03Å
77P33.9Very low35.2Very low60 Ų6098 Ų9839%0.3954%0.542SS..Hα-helixtrans-53.6-41.7-165.4-2529000110.1D75 N79 A80 F81D75-P77 WeakPolarHBondContact O-CA 3.03Å; D75-P77 WeakPolarHBondContact O-CD 3.39Å; P77-N79 VanDerWaalsContact C-N 3.27Å; P77-N79 PolarHBondContact O-N 3Å; P77-N79 VanDerWaalsContact O-N 3.09Å; P77-A80 PolarHBondContact O-N 3.3Å; P77-F81 VanDerWaalsContact C-CZ 3.41Å; P77-F81 HydrophobicContact CB-CD2 4Å; P77-F81 HydrophobicContact CB-CE2 2.98Å; P77-F81 HydrophobicContact CB-CZ 3.24Å; P77-F81 HydrophobicContact CG-CE2 4.43Å; P77-F81 WeakPolarHBondContact O-CD1 3.28Å; P77-F81 WeakPolarHBondContact O-CD2 3.15Å; P77-F81 WeakPolarHBondContact O-CE1 3.43Å; P77-F81 WeakPolarHBondContact O-CE2 3.37Å; P77-F81 WeakPolarHBondContact O-CG 3.44Å; P77-F81 WeakPolarHBondContact O-CZ 3.29Å; P77-F81 PolarHBondContact O-N 2.83Å
78K29.5Very low36.2Very low159 Ų15996.2 Ų96.269%0.69155%0.549SS*.Hα-helixtrans-56.6-35.6-172.3-63.3-179.7-178.3176.10113.9D76 F81 A82D76-K78 PolarHBondContact O-N 2.96Å; D76-K78 PolarHBondContact OD1-N 3.06Å; K78-F81 PolarHBondContact O-N 2.82Å; K78-A82 PolarHBondContact O-N 2.76Å
79N35Very low37.2Very low134 Ų13494.7 Ų94.772%0.71753%0.534SS*.Hα-helixtrans-81.3-33.6-175.2-108.5-13.8000113.2D76 P77 F81D76-N79 PolarHBondContact O-N 3.03Å; P77-N79 VanDerWaalsContact C-N 3.27Å; P77-N79 PolarHBondContact O-N 3Å; P77-N79 VanDerWaalsContact O-N 3.09Å; N79-F81 PolarHBondContact O-N 2.04Å
80A33.7Very low38.2Very low25 Ų2593.4 Ų93.421%0.20753%0.526CS..Hα-helixtrans-64.3-32.2171.400000110.7P77 Y84P77-A80 PolarHBondContact O-N 3.3Å; A80-Y84 WeakPolarHBondContact O-CD2 3.36Å; A80-Y84 WeakPolarHBondContact O-CE2 3.17Å
81F41.4Very low39.3Very low2 Ų290.3 Ų90.31%0.00951%0.511CS..Hα-helixtrans-90.8-22.5-165-51.5-30.4000117.1P77 K78 N79 K83 Y84 A85 P91 T94 I103P77-F81 VanDerWaalsContact C-CZ 3.41Å; P77-F81 HydrophobicContact CB-CD2 4Å; P77-F81 HydrophobicContact CB-CE2 2.98Å; P77-F81 HydrophobicContact CB-CZ 3.24Å; P77-F81 HydrophobicContact CG-CE2 4.43Å; P77-F81 WeakPolarHBondContact O-CD1 3.28Å; P77-F81 WeakPolarHBondContact O-CD2 3.15Å; P77-F81 WeakPolarHBondContact O-CE1 3.43Å; P77-F81 WeakPolarHBondContact O-CE2 3.37Å; P77-F81 WeakPolarHBondContact O-CG 3.44Å; P77-F81 WeakPolarHBondContact O-CZ 3.29Å; P77-F81 PolarHBondContact O-N 2.83Å; K78-F81 PolarHBondContact O-N 2.82Å; N79-F81 PolarHBondContact O-N 2.04Å; F81-K83 PolarHBondContact O-N 3.39Å; F81-Y84 PolarHBondContact O-N 2.8Å; F81-A85 PolarHBondContact O-N 2.76Å; F81-A85 VanDerWaalsContact O-N 3.08Å; F81-P91 HydrophobicContact CB-CB 3.48Å; F81-P91 VanDerWaalsContact CB-CB 3.48Å; F81-P91 HydrophobicContact CB-CG 3.34Å; F81-P91 HydrophobicContact CD2-CB 3.6Å; F81-P91 HydrophobicContact CD2-CG 3.93Å; F81-P91 HydrophobicContact CG-CB 3.81Å; F81-P91 HydrophobicContact CG-CG 4.09Å; F81-T94 HydrophobicContact CD1-CG2 3.89Å; F81-T94 HydrophobicContact CD2-CG2 4.47Å; F81-T94 HydrophobicContact CE1-CG2 3.13Å; F81-T94 HydrophobicContact CE2-CG2 3.69Å; F81-T94 HydrophobicContact CZ-CG2 3.04Å; F81-T94 WeakPolarHBondContact CZ-OG1 3.45Å; F81-I103 HydrophobicContact CD1-CD1 4.25Å
82A38.3Very low40.2Very low80 Ų8087.2 Ų87.266%0.66149%0.494SS*.THydrogen-bonded Turntrans-57.8-20.8178.600000112.5K78K78-A82 PolarHBondContact O-N 2.76Å
83K42Very low41Very low179 Ų17982 Ų8278%0.77847%0.47SS*.THydrogen-bonded Turntrans-79.9-21.5174.8-63.7-178-177.7176.20114.2F81F81-K83 PolarHBondContact O-N 3.39Å
84Y40.8Very low41.4Very low87 Ų8780.2 Ų80.234%0.34146%0.462SS..THydrogen-bonded Turntrans-113.1-24.2-168.1-50.8-56.1000113.8A80 F81 I103 V116A80-Y84 WeakPolarHBondContact O-CD2 3.36Å; A80-Y84 WeakPolarHBondContact O-CE2 3.17Å; F81-Y84 PolarHBondContact O-N 2.8Å; Y84-I103 HydrophobicContact CD2-CD1 3.99Å; Y84-I103 HydrophobicContact CG-CD1 4.35Å; Y84-V116 HydrophobicContact CD1-CG1 4.35Å
85A39Very low42.2Very low21 Ų2172.3 Ų72.317%0.17442%0.42CS..SBendtrans-72.3129.9175.100000109.8F81 Q89 P91F81-A85 PolarHBondContact O-N 2.76Å; F81-A85 VanDerWaalsContact O-N 3.08Å; A85-Q89 HydrophobicContact CB-CB 4.06Å; A85-Q89 WeakPolarHBondContact CB-O 2.97Å; A85-P91 HydrophobicContact CB-CG 4.34Å
86A45Very low42.8Very low45 Ų4572.6 Ų72.637%0.37242%0.416SS..PPolyproline II helixtrans-61154.4171.800000109.8G88 Q89A86-G88 PolarHBondContact O-N 2.73Å; A86-G88 VanDerWaalsContact O-N 3.13Å; A86-Q89 HydrophobicContact CB-CG 4.21Å; A86-Q89 VanDerWaalsContact N-OE1 3.1Å; A86-Q89 WeakPolarHBondContact O-CB 3.17Å; A86-Q89 PolarHBondContact O-N 2.78Å
87P48.5Very low43.5Very low142 Ų14268.3 Ų68.392%0.92239%0.394SS*.THydrogen-bonded Turntrans-51.3123.7175.5-25.834.3000111.3
88G46.9Very low44.3Very low68 Ų6868.6 Ų68.670%0.70141%0.408SS*.THydrogen-bonded Turntrans95.2-12.1-176.900000115.3A86A86-G88 PolarHBondContact O-N 2.73Å; A86-G88 VanDerWaalsContact O-N 3.13Å
89Q47.9Very low45.3Very low40 Ų4067.7 Ų67.719%0.18740%0.404CS..PPolyproline II helixtrans-87.8132.5174.3-70.2179.1-9.300111.1A85 A86 C105A85-Q89 HydrophobicContact CB-CB 4.06Å; A85-Q89 WeakPolarHBondContact CB-O 2.97Å; A86-Q89 HydrophobicContact CB-CG 4.21Å; A86-Q89 VanDerWaalsContact N-OE1 3.1Å; A86-Q89 WeakPolarHBondContact O-CB 3.17Å; A86-Q89 PolarHBondContact O-N 2.78Å; Q89-C105 HydrophobicContact CB-CB 4Å; Q89-C105 HydrophobicContact CG-CB 4.36Å
90I47.6Very low45.9Very low111 Ų11161.3 Ų61.357%0.56937%0.37SS*.EExtended strand (participates in β ladder)trans-103.8116.2174.8-54.8174.5000108.2I92 C105 V106I90-I92 HydrophobicContact CG2-CG2 4.34Å; I90-I92 PolarHBondContact O-N 2.82Å; I90-C105 WeakPolarHBondContact O-CA 3.12Å; I90-V106 HydrophobicContact CB-CG2 4.19Å; I90-V106 PolarHBondContact N-O 3.06Å; I90-V106 WeakPolarHBondContact O-CG2 3.35Å; I90-V106 PolarHBondContact O-N 3.03Å
91P49.1Very low46.8Very low30 Ų3062.8 Ų62.820%0.19537%0.37CS..EExtended strand (participates in β ladder)trans-72.1121.6174.929.6-31.8000109.2F81 A85 I103 K104F81-P91 HydrophobicContact CB-CB 3.48Å; F81-P91 VanDerWaalsContact CB-CB 3.48Å; F81-P91 HydrophobicContact CB-CG 3.34Å; F81-P91 HydrophobicContact CD2-CB 3.6Å; F81-P91 HydrophobicContact CD2-CG 3.93Å; F81-P91 HydrophobicContact CG-CB 3.81Å; F81-P91 HydrophobicContact CG-CG 4.09Å; A85-P91 HydrophobicContact CB-CG 4.34Å; P91-I103 HydrophobicContact CB-CG2 4.28Å; P91-K104 CarbonylContact C-O 3.49Å; P91-K104 WeakPolarHBondContact CA-O 2.78Å
92I47.9Very low47.4Very low75 Ų7562.9 Ų62.939%0.38537%0.37SS..EExtended strand (participates in β ladder)trans-109.9-7.8-175.153.9168.2000114.1T7 I90 K104 V106T7-I92 HydrophobicContact CG2-CD1 3.94Å; I90-I92 HydrophobicContact CG2-CG2 4.34Å; I90-I92 PolarHBondContact O-N 2.82Å; I92-K104 HydrophobicContact CD1-CB 4.47Å; I92-K104 HydrophobicContact CD1-CD 3.52Å; I92-K104 HydrophobicContact CD1-CG 3.91Å; I92-K104 HydrophobicContact CG1-CB 3.88Å; I92-K104 HydrophobicContact CG1-CD 3.88Å; I92-K104 HydrophobicContact CG1-CG 3.84Å; I92-K104 PolarHBondContact N-O 3.08Å; I92-V106 HydrophobicContact CB-CG2 4.38Å; I92-V106 HydrophobicContact CD1-CB 4.38Å; I92-V106 HydrophobicContact CD1-CG1 3.51Å; I92-V106 HydrophobicContact CD1-CG2 3.97Å; I92-V106 HydrophobicContact CG1-CG1 4.32Å; I92-V106 HydrophobicContact CG1-CG2 4.13Å; I92-V106 HydrophobicContact CG2-CG2 3.42Å; I92-V106 VanDerWaalsContact CG2-CG2 3.42Å
93G47.8Very low48Very low16 Ų1659.2 Ų59.217%0.16534%0.34CS..EExtended strand (participates in β ladder)trans177.6158.5174.500000112.5K104G93-K104 PolarHBondContact O-N 2.84Å
94T48.5Very low48.6Very low44 Ų4450.8 Ų50.827%0.2730%0.303SS..EExtended strand (participates in β ladder)trans-136.1152.1171.354.40000113.2F81 L102 I103F81-T94 HydrophobicContact CD1-CG2 3.89Å; F81-T94 HydrophobicContact CD2-CG2 4.47Å; F81-T94 HydrophobicContact CE1-CG2 3.13Å; F81-T94 HydrophobicContact CE2-CG2 3.69Å; F81-T94 HydrophobicContact CZ-CG2 3.04Å; F81-T94 WeakPolarHBondContact CZ-OG1 3.45Å; T94-L102 CarbonylContact C-O 3.59Å; T94-L102 WeakPolarHBondContact CA-O 3.35Å; T94-I103 HydrophobicContact CG2-CB 4Å; T94-I103 HydrophobicContact CG2-CD1 4.4Å; T94-I103 HydrophobicContact CG2-CG1 3.72Å; T94-I103 HydrophobicContact CG2-CG2 3.9Å
95V51.3Low48.9Very low11 Ų1146.7 Ų46.77%0.06729%0.287CS..EExtended strand (participates in β ladder)trans-124.7132.5168.3-178.80000108.7Y3 V5 F16 V97 R101 L102Y3-V95 HydrophobicContact CD1-CG1 3.52Å; Y3-V95 HydrophobicContact CD2-CG1 3.77Å; Y3-V95 HydrophobicContact CE1-CG1 3.97Å; Y3-V95 HydrophobicContact CE2-CG1 4.16Å; Y3-V95 HydrophobicContact CG-CG1 3.39Å; V5-V95 HydrophobicContact CG2-CG2 3.34Å; F16-V95 HydrophobicContact CE2-CB 4.33Å; F16-V95 HydrophobicContact CE2-CG1 3.71Å; F16-V95 HydrophobicContact CZ-CB 4.27Å; F16-V95 HydrophobicContact CZ-CG1 4.03Å; V95-V97 HydrophobicContact CG1-CG2 4.39Å; V95-R101 CarbonylContact O-C 3.51Å; V95-R101 WeakPolarHBondContact O-CA 3.43Å; V95-L102 PolarHBondContact N-O 3.45Å; V95-L102 PolarHBondContact O-N 3Å
96K49.1Very low49.3Very low96 Ų9647.8 Ų47.842%0.41729%0.292SS..EExtended strand (participates in β ladder)trans-80.3133172.5-172167.9177.8-178.10110.6D73D73-K96 IonicContact OD1-NZ 2.76Å; D73-K96 PolarHBondContact OD1-NZ 3.09Å; D73-K96 WeakPolarHBondContact OD2-CD 3.32Å; D73-K96 WeakPolarHBondContact OD2-CE 3.46Å; D73-K96 IonicContact OD2-NZ 3.93Å; D73-K96 PolarHBondContact OD2-NZ 2.91Å
97V49.3Very low49.4Very low9 Ų949.5 Ų49.56%0.05530%0.295CS..EExtended strand (participates in β ladder)trans-135.484.1-169.8-1710000108.4F16 V55 V95 K99 C100 L102F16-V97 HydrophobicContact CB-CG1 4.37Å; F16-V97 HydrophobicContact CD1-CB 4Å; F16-V97 HydrophobicContact CD1-CG1 3.19Å; F16-V97 HydrophobicContact CD1-CG2 3.55Å; F16-V97 HydrophobicContact CD2-CG2 4.49Å; F16-V97 HydrophobicContact CE1-CB 3.91Å; F16-V97 HydrophobicContact CE1-CG1 3.59Å; F16-V97 HydrophobicContact CE1-CG2 3.02Å; F16-V97 HydrophobicContact CE2-CG2 4.04Å; F16-V97 HydrophobicContact CG-CG1 3.91Å; F16-V97 HydrophobicContact CG-CG2 4.23Å; F16-V97 HydrophobicContact CZ-CB 4.5Å; F16-V97 HydrophobicContact CZ-CG2 3.26Å; V55-V97 HydrophobicContact CG2-CG1 4.32Å; V95-V97 HydrophobicContact CG1-CG2 4.39Å; V97-K99 PolarHBondContact O-N 2.97Å; V97-C100 CarbonylContact C-O 3.59Å; V97-C100 WeakPolarHBondContact CA-O 3.31Å; V97-C100 PolarHBondContact N-O 2.96Å; V97-C100 PolarHBondContact O-N 2.73Å; V97-L102 HydrophobicContact CG2-CB 4.19Å
98G51.9Low49Very low66 Ų6648.2 Ų48.268%0.6829%0.289SS*.THydrogen-bonded Turntrans60.3-113.1-171.300000111
99K50.4Low48.8Very low141 Ų14149 Ų4961%0.61329%0.289SS*.THydrogen-bonded Turntrans-101.214.2177.3-59.5-171.6177.1-172.60113.7V97V97-K99 PolarHBondContact O-N 2.97Å
100C46.4Very low48.7Very low0 Ų049.8 Ų49.80%029%0.294CS..EExtended strand (participates in β ladder)trans-122.6159.6177.5-74.70000109.6C50 V97 L115 V116C50-C100 HydrophobicContact CB-CB 3.82Å; C50-C100 WeakPolarHBondContact CB-SG 3.5Å; C50-C100 WeakPolarHBondContact SG-CB 3.31Å; C50-C100 CovalentContact SG-SG 2.04Å; C50-C100 PolarHBondContact SG-SG 3.3Å; V97-C100 CarbonylContact C-O 3.59Å; V97-C100 WeakPolarHBondContact CA-O 3.31Å; V97-C100 PolarHBondContact N-O 2.96Å; V97-C100 PolarHBondContact O-N 2.73Å; C100-L115 HydrophobicContact CB-CD1 3.84Å; C100-L115 HydrophobicContact CB-CG 4.36Å; C100-V116 CarbonylContact C-O 3.25Å; C100-V116 VanDerWaalsContact CA-O 3.29Å; C100-V116 WeakPolarHBondContact CA-O 3.17Å; C100-V116 WeakPolarHBondContact CB-O 3.35Å
101R52.6Low48.8Very low56 Ų5645.1 Ų45.121%0.21127%0.273CS..EExtended strand (participates in β ladder)trans-120.2126.8172.3-62.7-176.3-177.9-158.1-1.8107.4D75 V95 I103 V116D75-R101 IonicContact OD2-NH1 3.69Å; D75-R101 IonicContact OD2-NH2 3.54Å; D75-R101 PolarHBondContact OD2-NH2 2.84Å; D75-R101 VanDerWaalsContact OD2-NH2 3.13Å; V95-R101 CarbonylContact O-C 3.51Å; V95-R101 WeakPolarHBondContact O-CA 3.43Å; R101-I103 HydrophobicContact CB-CG1 4.49Å; R101-V116 PolarHBondContact N-O 3.08Å; R101-V116 PolarHBondContact O-N 2.91Å
102L54Low49Very low3 Ų344.9 Ų44.92%0.01627%0.27CS..EExtended strand (participates in β ladder)trans-86.9122.5168.9-168.975.9000107.5I14 F16 V55 I57 T94 V95 V97 W113 F114 L115I14-L102 HydrophobicContact CD1-CD2 3.66Å; I14-L102 HydrophobicContact CG2-CD2 3.77Å; F16-L102 HydrophobicContact CE1-CB 4.35Å; F16-L102 HydrophobicContact CE1-CD2 4.19Å; F16-L102 HydrophobicContact CZ-CB 4.11Å; F16-L102 HydrophobicContact CZ-CD2 3.8Å; V55-L102 HydrophobicContact CG1-CD1 4.2Å; V55-L102 HydrophobicContact CG1-CD2 4.15Å; I57-L102 HydrophobicContact CD1-CD2 4.23Å; I57-L102 HydrophobicContact CG1-CD2 4.34Å; T94-L102 CarbonylContact C-O 3.59Å; T94-L102 WeakPolarHBondContact CA-O 3.35Å; V95-L102 PolarHBondContact N-O 3.45Å; V95-L102 PolarHBondContact O-N 3Å; V97-L102 HydrophobicContact CG2-CB 4.19Å; L102-W113 HydrophobicContact CD1-CB 4.42Å; L102-W113 HydrophobicContact CD1-CE3 4.49Å; L102-W113 HydrophobicContact CD2-CD2 4.07Å; L102-W113 HydrophobicContact CD2-CE3 3.5Å; L102-W113 VanDerWaalsContact CD2-CE3 3.5Å; L102-W113 HydrophobicContact CD2-CZ3 3.77Å; L102-W113 HydrophobicContact CG-CD2 4.38Å; L102-W113 HydrophobicContact CG-CE3 3.53Å; L102-W113 HydrophobicContact CG-CZ3 3.97Å; L102-F114 CarbonylContact C-O 3.54Å; L102-L115 HydrophobicContact CB-CD1 4.33Å; L102-L115 HydrophobicContact CD1-CB 4.01Å; L102-L115 HydrophobicContact CD1-CD1 4.01Å
103I52.3Low49.2Very low4 Ų441.7 Ų41.72%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-114122.8-174.6-45.4-169.6000109.2F81 Y84 P91 T94 R101 W113 F114 V116F81-I103 HydrophobicContact CD1-CD1 4.25Å; Y84-I103 HydrophobicContact CD2-CD1 3.99Å; Y84-I103 HydrophobicContact CG-CD1 4.35Å; P91-I103 HydrophobicContact CB-CG2 4.28Å; T94-I103 HydrophobicContact CG2-CB 4Å; T94-I103 HydrophobicContact CG2-CD1 4.4Å; T94-I103 HydrophobicContact CG2-CG1 3.72Å; T94-I103 HydrophobicContact CG2-CG2 3.9Å; R101-I103 HydrophobicContact CB-CG1 4.49Å; I103-W113 CarbonylContact O-C 3.57Å; I103-W113 WeakPolarHBondContact O-CA 3.35Å; I103-F114 PolarHBondContact N-O 3.13Å; I103-F114 PolarHBondContact O-N 3.35Å; I103-V116 HydrophobicContact CD1-CB 3.97Å; I103-V116 HydrophobicContact CD1-CG2 3.59Å; I103-V116 HydrophobicContact CG1-CB 4.32Å; I103-V116 HydrophobicContact CG1-CG2 3.86Å
104K53.6Low49.5Very low1 Ų142.5 Ų42.50%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-89.9119.7168.7-163.7175.9-179.61680109T7 E12 P91 I92 G93 W113T7-K104 HydrophobicContact CG2-CD 3.83Å; T7-K104 PolarHBondContact OG1-NZ 3Å; T7-K104 VanDerWaalsContact OG1-NZ 3.09Å; E12-K104 WeakPolarHBondContact OE2-CE 3.35Å; E12-K104 IonicContact OE2-NZ 3.13Å; E12-K104 PolarHBondContact OE2-NZ 3.2Å; P91-K104 CarbonylContact C-O 3.49Å; P91-K104 WeakPolarHBondContact CA-O 2.78Å; I92-K104 HydrophobicContact CD1-CB 4.47Å; I92-K104 HydrophobicContact CD1-CD 3.52Å; I92-K104 HydrophobicContact CD1-CG 3.91Å; I92-K104 HydrophobicContact CG1-CB 3.88Å; I92-K104 HydrophobicContact CG1-CD 3.88Å; I92-K104 HydrophobicContact CG1-CG 3.84Å; I92-K104 PolarHBondContact N-O 3.08Å; G93-K104 PolarHBondContact O-N 2.84Å; K104-W113 HydrophobicContact CB-CD2 3.73Å; K104-W113 HydrophobicContact CB-CE3 3.52Å; K104-W113 HydrophobicContact CB-CH2 3.62Å; K104-W113 HydrophobicContact CB-CZ2 3.8Å; K104-W113 HydrophobicContact CB-CZ3 3.51Å; K104-W113 HydrophobicContact CD-CD2 4.3Å; K104-W113 HydrophobicContact CD-CH2 4.06Å; K104-W113 HydrophobicContact CD-CZ2 3.46Å; K104-W113 VanDerWaalsContact CD-CZ2 3.46Å; K104-W113 HydrophobicContact CG-CD2 3.88Å; K104-W113 HydrophobicContact CG-CE3 4.21Å; K104-W113 HydrophobicContact CG-CG 4.39Å; K104-W113 HydrophobicContact CG-CH2 4.27Å; K104-W113 HydrophobicContact CG-CZ2 3.91Å; K104-W113 HydrophobicContact CG-CZ3 4.44Å
105C48.8Very low49.7Very low2 Ų240.7 Ų40.71%0.01424%0.241CC..EExtended strand (participates in β ladder)trans-112.3122172.7-74.60000107.9Q89 I90 G111 N112 F114Q89-C105 HydrophobicContact CB-CB 4Å; Q89-C105 HydrophobicContact CG-CB 4.36Å; I90-C105 WeakPolarHBondContact O-CA 3.12Å; C105-G111 CarbonylContact O-C 3.55Å; C105-N112 PolarHBondContact N-O 2.9Å; C105-N112 PolarHBondContact O-N 2.73Å; C105-N112 VanDerWaalsContact O-O 3.06Å; C105-F114 HydrophobicContact CB-CD2 3.83Å; C105-F114 HydrophobicContact CB-CE2 3.66Å
106V46.3Very low49.8Very low43 Ų4340.3 Ų40.326%0.26124%0.239SC..EExtended strand (participates in β ladder)trans-92.5120.5169-81.50000109.1I90 I92I90-V106 HydrophobicContact CB-CG2 4.19Å; I90-V106 PolarHBondContact N-O 3.06Å; I90-V106 WeakPolarHBondContact O-CG2 3.35Å; I90-V106 PolarHBondContact O-N 3.03Å; I92-V106 HydrophobicContact CB-CG2 4.38Å; I92-V106 HydrophobicContact CD1-CB 4.38Å; I92-V106 HydrophobicContact CD1-CG1 3.51Å; I92-V106 HydrophobicContact CD1-CG2 3.97Å; I92-V106 HydrophobicContact CG1-CG1 4.32Å; I92-V106 HydrophobicContact CG1-CG2 4.13Å; I92-V106 HydrophobicContact CG2-CG2 3.42Å; I92-V106 VanDerWaalsContact CG2-CG2 3.42Å
107D46.7Very low49.9Very low81 Ų8136.7 Ų36.743%0.43322%0.224SC..  trans-78.6157.2148.7-170.5-31.5000107.1A109 I110D107-A109 PolarHBondContact O-N 2.88Å; D107-I110 PolarHBondContact N-O 3.22Å; D107-I110 PolarHBondContact O-N 3.28Å
108S41.3Very low50.1Low115 Ų11541.3 Ų41.380%0.80425%0.249SC*.SBendtrans-41.8-4.1177.559.40000118.3
109A42.9Very low50.1Low85 Ų8541.9 Ų41.970%0.70225%0.246SC*.SBendtrans-138.1-30.7167.700000115.1D107D107-A109 PolarHBondContact O-N 2.88Å
110I45.8Very low50.1Low56 Ų5636.3 Ų36.329%0.28723%0.229SC..  trans-135.4123.5-167.3-53.3174.8000109.7D107 N112 D129D107-I110 PolarHBondContact N-O 3.22Å; D107-I110 PolarHBondContact O-N 3.28Å; I110-N112 PolarHBondContact O-N 2.94Å; I110-D129 HydrophobicContact CD1-CB 4.45Å; I110-D129 WeakPolarHBondContact CD1-OD1 2.97Å; I110-D129 WeakPolarHBondContact CG2-OD1 3.45Å
111G49.1Very low50.3Low13 Ų1342 Ų4213%0.13426%0.256CS..EExtended strand (participates in β ladder)trans-78.8109.4176.100000110.7C105C105-G111 CarbonylContact O-C 3.55Å
112N52Low50.2Low26 Ų2643.1 Ų43.114%0.13927%0.269CS..EExtended strand (participates in β ladder)trans-94.4135.1174.9-72.8-27.5000111.2C105 I110 F114C105-N112 PolarHBondContact N-O 2.9Å; C105-N112 PolarHBondContact O-N 2.73Å; C105-N112 VanDerWaalsContact O-O 3.06Å; I110-N112 PolarHBondContact O-N 2.94Å; N112-F114 HydrophobicContact CB-CD2 4.42Å; N112-F114 HydrophobicContact CB-CE2 3.52Å; N112-F114 HydrophobicContact CB-CZ 3.76Å
113W54Low49.9Very low7 Ų746.7 Ų46.73%0.02728%0.283CS..EExtended strand (participates in β ladder)trans-97131.3172.9-69.794.2000110.1V5 E12 I14 I57 L102 I103 K104 L127V5-W113 HydrophobicContact CB-CH2 3.78Å; V5-W113 HydrophobicContact CB-CZ2 4.07Å; V5-W113 HydrophobicContact CG1-CH2 3.73Å; V5-W113 HydrophobicContact CG1-CZ2 4.17Å; V5-W113 HydrophobicContact CG2-CH2 3.79Å; V5-W113 HydrophobicContact CG2-CZ2 4.46Å; E12-W113 PolarHBondContact OE2-NE1 2.85Å; I14-W113 HydrophobicContact CD1-CD2 4.24Å; I14-W113 HydrophobicContact CD1-CE3 4.17Å; I14-W113 HydrophobicContact CD1-CH2 3.14Å; I14-W113 HydrophobicContact CD1-CZ2 3.25Å; I14-W113 HydrophobicContact CD1-CZ3 3.63Å; I14-W113 HydrophobicContact CG1-CZ2 4.3Å; I57-W113 HydrophobicContact CD1-CB 3.57Å; I57-W113 HydrophobicContact CD1-CD2 4.42Å; I57-W113 HydrophobicContact CD1-CG 3.71Å; L102-W113 HydrophobicContact CD1-CB 4.42Å; L102-W113 HydrophobicContact CD1-CE3 4.49Å; L102-W113 HydrophobicContact CD2-CD2 4.07Å; L102-W113 HydrophobicContact CD2-CE3 3.5Å; L102-W113 VanDerWaalsContact CD2-CE3 3.5Å; L102-W113 HydrophobicContact CD2-CZ3 3.77Å; L102-W113 HydrophobicContact CG-CD2 4.38Å; L102-W113 HydrophobicContact CG-CE3 3.53Å; L102-W113 HydrophobicContact CG-CZ3 3.97Å; I103-W113 CarbonylContact O-C 3.57Å; I103-W113 WeakPolarHBondContact O-CA 3.35Å; K104-W113 HydrophobicContact CB-CD2 3.73Å; K104-W113 HydrophobicContact CB-CE3 3.52Å; K104-W113 HydrophobicContact CB-CH2 3.62Å; K104-W113 HydrophobicContact CB-CZ2 3.8Å; K104-W113 HydrophobicContact CB-CZ3 3.51Å; K104-W113 HydrophobicContact CD-CD2 4.3Å; K104-W113 HydrophobicContact CD-CH2 4.06Å; K104-W113 HydrophobicContact CD-CZ2 3.46Å; K104-W113 VanDerWaalsContact CD-CZ2 3.46Å; K104-W113 HydrophobicContact CG-CD2 3.88Å; K104-W113 HydrophobicContact CG-CE3 4.21Å; K104-W113 HydrophobicContact CG-CG 4.39Å; K104-W113 HydrophobicContact CG-CH2 4.27Å; K104-W113 HydrophobicContact CG-CZ2 3.91Å; K104-W113 HydrophobicContact CG-CZ3 4.44Å; W113-L127 HydrophobicContact CB-CD1 3.86Å; W113-L127 HydrophobicContact CB-CD2 4.38Å; W113-L127 HydrophobicContact CB-CG 4.27Å; W113-L127 HydrophobicContact CG-CD1 4.32Å; W113-L127 WeakPolarHBondContact O-CG 3.08Å
114F52.8Low49.5Very low33 Ų3348.6 Ų48.615%0.14530%0.304CS..EExtended strand (participates in β ladder)trans-119125.8178.4-62.8-85.6000108.7L102 I103 C105 N112 V116 T122L102-F114 CarbonylContact C-O 3.54Å; I103-F114 PolarHBondContact N-O 3.13Å; I103-F114 PolarHBondContact O-N 3.35Å; C105-F114 HydrophobicContact CB-CD2 3.83Å; C105-F114 HydrophobicContact CB-CE2 3.66Å; N112-F114 HydrophobicContact CB-CD2 4.42Å; N112-F114 HydrophobicContact CB-CE2 3.52Å; N112-F114 HydrophobicContact CB-CZ 3.76Å; F114-V116 HydrophobicContact CB-CG2 4.13Å; F114-T122 HydrophobicContact CB-CG2 4.44Å; F114-T122 HydrophobicContact CD1-CG2 4.32Å
115L53Low48.9Very low6 Ų656.6 Ų56.63%0.03135%0.346CS..EExtended strand (participates in β ladder)trans-87.7119.1169.9-174.864000108.7C50 V55 C100 L102 T122 Y123C50-L115 HydrophobicContact CB-CD2 4.15Å; V55-L115 HydrophobicContact CG2-CD1 3.99Å; V55-L115 HydrophobicContact CG2-CD2 3.86Å; C100-L115 HydrophobicContact CB-CD1 3.84Å; C100-L115 HydrophobicContact CB-CG 4.36Å; L102-L115 HydrophobicContact CB-CD1 4.33Å; L102-L115 HydrophobicContact CD1-CB 4.01Å; L102-L115 HydrophobicContact CD1-CD1 4.01Å; L115-T122 CarbonylContact O-C 3.56Å; L115-T122 VanDerWaalsContact O-CA 3.28Å; L115-T122 WeakPolarHBondContact O-CA 2.94Å; L115-Y123 HydrophobicContact CD2-CD2 4.35Å; L115-Y123 HydrophobicContact CG-CD2 4.24Å; L115-Y123 PolarHBondContact O-N 3.21Å
116V52.8Low48.4Very low3 Ų358.3 Ų58.32%0.01836%0.364CS..EExtended strand (participates in β ladder)trans-122135-174.4-168.10000109.4Y84 C100 R101 I103 F114 G120 Q121 T122Y84-V116 HydrophobicContact CD1-CG1 4.35Å; C100-V116 CarbonylContact C-O 3.25Å; C100-V116 VanDerWaalsContact CA-O 3.29Å; C100-V116 WeakPolarHBondContact CA-O 3.17Å; C100-V116 WeakPolarHBondContact CB-O 3.35Å; R101-V116 PolarHBondContact N-O 3.08Å; R101-V116 PolarHBondContact O-N 2.91Å; I103-V116 HydrophobicContact CD1-CB 3.97Å; I103-V116 HydrophobicContact CD1-CG2 3.59Å; I103-V116 HydrophobicContact CG1-CB 4.32Å; I103-V116 HydrophobicContact CG1-CG2 3.86Å; F114-V116 HydrophobicContact CB-CG2 4.13Å; V116-G120 VanDerWaalsContact CG1-C 3.41Å; V116-G120 VanDerWaalsContact CG1-CA 3.44Å; V116-Q121 VanDerWaalsContact CA-O 3.32Å; V116-Q121 WeakPolarHBondContact CA-O 2.89Å; V116-T122 HydrophobicContact CG2-CG2 4.12Å
117N52.1Low48Very low20 Ų2057.1 Ų57.111%0.10736%0.356CS..EExtended strand (participates in β ladder)trans-79.7173.9168.957.625.6000112.3A119 G120 Q121 Y123N117-A119 PolarHBondContact O-N 3Å; N117-A119 VanDerWaalsContact OD1-CA 3.31Å; N117-A119 WeakPolarHBondContact OD1-CA 3.48Å; N117-A119 VanDerWaalsContact OD1-CB 3.31Å; N117-A119 WeakPolarHBondContact OD1-CB 3.33Å; N117-A119 PolarHBondContact OD1-N 3.41Å; N117-G120 PolarHBondContact O-N 3.3Å; N117-G120 PolarHBondContact OD1-N 2.86Å; N117-Q121 PolarHBondContact N-O 3.47Å; N117-Q121 VanDerWaalsContact N-O 3.08Å; N117-Q121 PolarHBondContact ND2-OE1 3.21Å; N117-Q121 PolarHBondContact OD1-N 3.47Å; N117-Y123 HydrophobicContact CB-CE2 3.69Å; N117-Y123 PolarHBondContact ND2-OH 3.09Å
118D53.5Low47.2Very low107 Ų10758.4 Ų58.457%0.57237%0.369SS*.THydrogen-bonded Turntrans-54.6-22.2171.9-60.9-30.6000113.7
119A52.1Low46.8Very low77 Ų7757.6 Ų57.664%0.63636%0.356SS*.THydrogen-bonded Turntrans-86.6-1.8177.400000113.7N117 Q121N117-A119 PolarHBondContact O-N 3Å; N117-A119 VanDerWaalsContact OD1-CA 3.31Å; N117-A119 WeakPolarHBondContact OD1-CA 3.48Å; N117-A119 VanDerWaalsContact OD1-CB 3.31Å; N117-A119 WeakPolarHBondContact OD1-CB 3.33Å; N117-A119 PolarHBondContact OD1-N 3.41Å; A119-Q121 HydrophobicContact CB-CG 4.44Å
120G49.8Very low46.2Very low24 Ų2456.3 Ų56.325%0.24734%0.342CS..  trans83.57.8-179.200000115.4V116 N117V116-G120 VanDerWaalsContact CG1-C 3.41Å; V116-G120 VanDerWaalsContact CG1-CA 3.44Å; N117-G120 PolarHBondContact O-N 3.3Å; N117-G120 PolarHBondContact OD1-N 2.86Å
121Q50Low45.5Very low120 Ų12058.2 Ų58.256%0.56136%0.358SS*.  trans-83.6128.8179.8-56.8172.5-52.200109.9V116 N117 A119V116-Q121 VanDerWaalsContact CA-O 3.32Å; V116-Q121 WeakPolarHBondContact CA-O 2.89Å; N117-Q121 PolarHBondContact N-O 3.47Å; N117-Q121 VanDerWaalsContact N-O 3.08Å; N117-Q121 PolarHBondContact ND2-OE1 3.21Å; N117-Q121 PolarHBondContact OD1-N 3.47Å; A119-Q121 HydrophobicContact CB-CG 4.44Å
122T50.7Low44.4Very low79 Ų7965.8 Ų65.849%0.48540%0.395SS..BIsolated β-bridgetrans-77.3132.6173.150.90000110.4F114 L115 V116F114-T122 HydrophobicContact CB-CG2 4.44Å; F114-T122 HydrophobicContact CD1-CG2 4.32Å; L115-T122 CarbonylContact O-C 3.56Å; L115-T122 VanDerWaalsContact O-CA 3.28Å; L115-T122 WeakPolarHBondContact O-CA 2.94Å; V116-T122 HydrophobicContact CG2-CG2 4.12Å
123Y47.9Very low43.4Very low78 Ų7877.2 Ų77.231%0.30645%0.448SS..SBendtrans-98.4104.5168.3-60.9-85.4000108.3L115 N117L115-Y123 HydrophobicContact CD2-CD2 4.35Å; L115-Y123 HydrophobicContact CG-CD2 4.24Å; L115-Y123 PolarHBondContact O-N 3.21Å; N117-Y123 HydrophobicContact CB-CE2 3.69Å; N117-Y123 PolarHBondContact ND2-OH 3.09Å
124G45.3Very low42.8Very low45 Ų4580.8 Ų80.846%0.46447%0.469SS..SBendtrans112.8134.8-179.200000111.7G126G124-G126 PolarHBondContact O-N 3.18Å
125D41.1Very low42.3Very low168 Ų16883.3 Ų83.390%0.89849%0.486SS*.SBendtrans-58.3131.4157.1-61.7-48.1000106
126G38.2Very low41.7Very low38 Ų3887.6 Ų87.639%0.39251%0.511SS..  trans-44.9153.8-16900000113.9G124 P128G124-G126 PolarHBondContact O-N 3.18Å; G126-P128 VanDerWaalsContact O-N 3.14Å
127L37.5Very low41.1Very low18 Ų1892.5 Ų92.59%0.09454%0.54CS..  trans-39124179.2-59.7-171.1000110.2Y47 W113 D129Y47-L127 HydrophobicContact CD1-CD2 3.31Å; Y47-L127 HydrophobicContact CE1-CD2 3.24Å; Y47-L127 HydrophobicContact CG-CD2 4.14Å; W113-L127 HydrophobicContact CB-CD1 3.86Å; W113-L127 HydrophobicContact CB-CD2 4.38Å; W113-L127 HydrophobicContact CB-CG 4.27Å; W113-L127 HydrophobicContact CG-CD1 4.32Å; W113-L127 WeakPolarHBondContact O-CG 3.08Å; L127-D129 PolarHBondContact O-N 3.04Å
128P29.1Very low40.4Very low109 Ų10997.1 Ų97.171%0.70857%0.567SS**  trans-57.6135.2165.622.5-29.2000107.5G126 S130G126-P128 VanDerWaalsContact O-N 3.14Å; P128-S130 PolarHBondContact O-N 3.4Å
129D32.5Very low39.5Very low97 Ų9796.4 Ų96.452%0.51957%0.567SS.*SBendtrans-47.3139.9167.6-84.3-35.5000108I110 L127I110-D129 HydrophobicContact CD1-CB 4.45Å; I110-D129 WeakPolarHBondContact CD1-OD1 2.97Å; I110-D129 WeakPolarHBondContact CG2-OD1 3.45Å; L127-D129 PolarHBondContact O-N 3.04Å
130S30.9Very low38.6Very low58 Ų5897.8 Ų97.841%0.40656%0.562SS.*  trans-21.3130.4-178.4-26.90000112.7P128 D132P128-S130 PolarHBondContact O-N 3.4Å; S130-D132 PolarHBondContact O-N 3.13Å
131P30.8Very low37.7Very low96 Ų96103.5 Ų103.562%0.62359%0.586SS**  trans-54.1121.5174.823.5-30.8000107.6E133P131-E133 PolarHBondContact O-N 2.91Å
132D25.9Very low36.7Very low172 Ų172102.1 Ų102.192%0.9259%0.588SS**  trans-51.699.9172.6-80-66.6000108.6S130S130-D132 PolarHBondContact O-N 3.13Å
133E30.6Very low35.4Very low267 Ų267104.2 Ų104.2100%1.24860%0.598SS**  trans-144.50157-85.7-166.1100.600110.3P131P131-E133 PolarHBondContact O-N 2.91Å

Retrieved 133 of 133 residues in 60.3 ms (Link to these results)

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