A0A087WXC6_HUMAN Loading...

Transducin beta like 2

AlphaFold DB , UniProt , Accession A0A087WXC6, Species HUMAN (Homo sapiens, Human), Gene TBL2, Length 96 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
1M96.4Very high97Very high144 Ų14459.9 Ų59.971%0.70932%0.321SS*.  0158066.9-177.9-178.100110.3L10 A11 T12 R48M1-L10 HydrophobicContact CB-CD1 4.41Å; M1-A11 CarbonylContact C-O 3.59Å; M1-A11 WeakPolarHBondContact CA-O 3.32Å; M1-A11 VanDerWaalsContact CB-O 3.29Å; M1-A11 WeakPolarHBondContact CB-O 3.48Å; M1-T12 HydrophobicContact CB-CG2 3.98Å; M1-R48 PolarHBondContact O-NH1 3.13Å
2D98.4Very high97.1Very high44 Ų4457.9 Ų57.924%0.23531%0.313CS..EExtended strand (participates in β ladder)trans-158.9145.4175.9-165.326.3000112.5L10 A11 V47 R48 F49D2-L10 WeakPolarHBondContact O-CD1 3.42Å; D2-A11 PolarHBondContact N-O 3.18Å; D2-A11 PolarHBondContact O-N 3.41Å; D2-V47 WeakPolarHBondContact CB-O 3.48Å; D2-R48 VanDerWaalsContact OD2-CA 3.27Å; D2-R48 WeakPolarHBondContact OD2-CA 3.03Å; D2-R48 WeakPolarHBondContact OD2-CD 3.12Å; D2-F49 HydrophobicContact CB-CD2 4.45Å; D2-F49 WeakPolarHBondContact O-CE2 3.29Å; D2-F49 PolarHBondContact OD2-N 3.1Å
3F98.3Very high97.2Very high110 Ų11055.9 Ų55.948%0.48231%0.306SS..EExtended strand (participates in β ladder)trans-90146.2173.6-78.7-84000110.6Y9 L10 T24 F27 F49F3-Y9 WeakPolarHBondContact CA-O 3.2Å; F3-L10 HydrophobicContact CD1-CB 4.08Å; F3-L10 HydrophobicContact CD1-CD1 4.06Å; F3-L10 HydrophobicContact CD2-CD1 3.96Å; F3-L10 HydrophobicContact CE1-CB 3.94Å; F3-L10 HydrophobicContact CE1-CD1 3.99Å; F3-L10 HydrophobicContact CE1-CD2 4.46Å; F3-L10 HydrophobicContact CE1-CG 4.34Å; F3-L10 HydrophobicContact CE2-CD1 3.88Å; F3-L10 HydrophobicContact CG-CD1 4.05Å; F3-L10 HydrophobicContact CZ-CD1 3.9Å; F3-L10 HydrophobicContact CZ-CD2 4.31Å; F3-L10 HydrophobicContact CZ-CG 4.48Å; F3-T24 HydrophobicContact CD1-CG2 4.01Å; F3-T24 HydrophobicContact CE1-CG2 3.78Å; F3-F27 HydrophobicContact CE1-CE2 4.18Å; F3-F49 VanDerWaalsContact C-CD2 3.44Å
4S97.6Very high97.2Very high4 Ų454.7 Ų54.73%0.02831%0.307CS..  trans-68.4148.7169.864.60000110.3N6 G7 K8 Y9 F49S4-N6 PolarHBondContact O-N 2.92Å; S4-N6 PolarHBondContact OG-OD1 3.3Å; S4-G7 WeakPolarHBondContact O-CA 3.48Å; S4-G7 PolarHBondContact O-N 3.24Å; S4-K8 PolarHBondContact OG-N 3.2Å; S4-Y9 PolarHBondContact N-O 2.86Å; S4-Y9 PolarHBondContact OG-N 2.92Å; S4-Y9 PolarHBondContact OG-O 3.35Å; S4-F49 VanDerWaalsContact N-CD2 3.3Å
5S97.4Very high97.2Very high82 Ų8259.4 Ų59.457%0.57333%0.331SS*.THydrogen-bonded Turntrans-57.8-27.6-177.2-300000113.8G7 P51 C53S5-G7 VanDerWaalsContact C-N 3.33Å; S5-P51 WeakPolarHBondContact CB-O 3.31Å; S5-P51 WeakPolarHBondContact OG-CA 3.46Å; S5-P51 PolarHBondContact OG-O 2.91Å; S5-C53 PolarHBondContact N-SG 3.36Å
6N96.6Very high97.1Very high75 Ų7561.3 Ų61.340%0.40134%0.34SS..THydrogen-bonded Turntrans-87.42.5176.666.413.3000114S4 K8 C53S4-N6 PolarHBondContact O-N 2.92Å; S4-N6 PolarHBondContact OG-OD1 3.3Å; N6-K8 PolarHBondContact O-N 3.31Å; N6-K8 VanDerWaalsContact O-N 3.11Å; N6-K8 WeakPolarHBondContact OD1-CB 3.43Å; N6-K8 PolarHBondContact OD1-N 3.1Å; N6-C53 VanDerWaalsContact CG-SG 3.54Å; N6-C53 PolarHBondContact N-SG 3.39Å
7G96.3Very high97.1Very high39 Ų3965.1 Ų65.140%0.40235%0.348SS..SBendtrans67.74.2178.700000115.7S4 S5 T24S4-G7 WeakPolarHBondContact O-CA 3.48Å; S4-G7 PolarHBondContact O-N 3.24Å; S5-G7 VanDerWaalsContact C-N 3.33Å; G7-T24 WeakPolarHBondContact O-CB 3.48Å; G7-T24 VanDerWaalsContact O-CG2 3.31Å; G7-T24 WeakPolarHBondContact O-CG2 3.32Å; G7-T24 PolarHBondContact O-OG1 2.93Å
8K94.7Very high97.1Very high105 Ų10561.6 Ų61.646%0.45733%0.33SS..SBendtrans-80.2-24.1-176.2-65.4-177.7-178.8176.10113.4S4 N6 T24S4-K8 PolarHBondContact OG-N 3.2Å; N6-K8 PolarHBondContact O-N 3.31Å; N6-K8 VanDerWaalsContact O-N 3.11Å; N6-K8 WeakPolarHBondContact OD1-CB 3.43Å; N6-K8 PolarHBondContact OD1-N 3.1Å; K8-T24 WeakPolarHBondContact CA-OG1 3.42Å; K8-T24 PolarHBondContact O-N 3.49Å; K8-T24 PolarHBondContact O-OG1 2.81Å
9Y96Very high97.1Very high35 Ų3558.4 Ų58.414%0.13731%0.312CS..EExtended strand (participates in β ladder)trans-131.5146.6-173.5-54.4-70.8000112.4F3 S4 I21 W22 M35 M71 Y79F3-Y9 WeakPolarHBondContact CA-O 3.2Å; S4-Y9 PolarHBondContact N-O 2.86Å; S4-Y9 PolarHBondContact OG-N 2.92Å; S4-Y9 PolarHBondContact OG-O 3.35Å; Y9-I21 HydrophobicContact CD1-CG2 4.06Å; Y9-I21 HydrophobicContact CG-CG2 4.25Å; Y9-W22 CarbonylContact C-O 3.58Å; Y9-W22 WeakPolarHBondContact CA-O 3.43Å; Y9-M35 HydrophobicContact CD1-CE 4.25Å; Y9-M35 HydrophobicContact CE1-CE 4.08Å; Y9-M71 HydrophobicContact CD2-CE 4.44Å; Y9-Y79 VanDerWaalsContact OH-CE2 3.31Å; Y9-Y79 WeakPolarHBondContact OH-CE2 3.4Å; Y9-Y79 PolarHBondContact OH-OH 2.64Å
10L97.4Very high97.2Very high21 Ų2159.9 Ų59.911%0.1131%0.313CS..EExtended strand (participates in β ladder)trans-116.6133.2166.4174.763.9000108.2M1 D2 F3 T12 I21 W22 T24 F27M1-L10 HydrophobicContact CB-CD1 4.41Å; D2-L10 WeakPolarHBondContact O-CD1 3.42Å; F3-L10 HydrophobicContact CD1-CB 4.08Å; F3-L10 HydrophobicContact CD1-CD1 4.06Å; F3-L10 HydrophobicContact CD2-CD1 3.96Å; F3-L10 HydrophobicContact CE1-CB 3.94Å; F3-L10 HydrophobicContact CE1-CD1 3.99Å; F3-L10 HydrophobicContact CE1-CD2 4.46Å; F3-L10 HydrophobicContact CE1-CG 4.34Å; F3-L10 HydrophobicContact CE2-CD1 3.88Å; F3-L10 HydrophobicContact CG-CD1 4.05Å; F3-L10 HydrophobicContact CZ-CD1 3.9Å; F3-L10 HydrophobicContact CZ-CD2 4.31Å; F3-L10 HydrophobicContact CZ-CG 4.48Å; L10-T12 HydrophobicContact CD2-CG2 4.34Å; L10-T12 HydrophobicContact CG-CG2 4.23Å; L10-I21 CarbonylContact O-C 3.44Å; L10-I21 WeakPolarHBondContact O-CA 3.32Å; L10-W22 HydrophobicContact CB-CB 4.3Å; L10-W22 PolarHBondContact N-O 3.45Å; L10-W22 PolarHBondContact O-N 2.77Å; L10-T24 HydrophobicContact CB-CG2 4.48Å; L10-F27 HydrophobicContact CB-CE2 4.47Å; L10-F27 HydrophobicContact CB-CZ 3.83Å; L10-F27 HydrophobicContact CD2-CE2 4.15Å; L10-F27 HydrophobicContact CD2-CZ 3.66Å; L10-F27 HydrophobicContact CG-CZ 4.4Å
11A98.1Very high97.1Very high0 Ų057 Ų570%030%0.298CS..EExtended strand (participates in β ladder)trans-106.7132.4172.800000110.3M1 D2 R20 I21 V47 F49M1-A11 CarbonylContact C-O 3.59Å; M1-A11 WeakPolarHBondContact CA-O 3.32Å; M1-A11 VanDerWaalsContact CB-O 3.29Å; M1-A11 WeakPolarHBondContact CB-O 3.48Å; D2-A11 PolarHBondContact N-O 3.18Å; D2-A11 PolarHBondContact O-N 3.41Å; A11-R20 WeakPolarHBondContact CA-O 3.35Å; A11-I21 HydrophobicContact CB-CD1 3.61Å; A11-V47 HydrophobicContact CB-CG1 4.08Å; A11-V47 HydrophobicContact CB-CG2 3.79Å; A11-F49 HydrophobicContact CB-CD2 4.07Å; A11-F49 HydrophobicContact CB-CE2 3.38Å; A11-F49 HydrophobicContact CB-CZ 3.81Å
12T98.1Very high97.1Very high36 Ų3652.9 Ų52.922%0.22128%0.275CS..EExtended strand (participates in β ladder)trans-129.5146.9172.960.70000109.5M1 L10 I19 R20 W22M1-T12 HydrophobicContact CB-CG2 3.98Å; L10-T12 HydrophobicContact CD2-CG2 4.34Å; L10-T12 HydrophobicContact CG-CG2 4.23Å; T12-I19 CarbonylContact O-C 3.59Å; T12-I19 WeakPolarHBondContact O-CA 3.18Å; T12-R20 PolarHBondContact N-O 2.83Å; T12-R20 PolarHBondContact O-N 2.99Å; T12-W22 PolarHBondContact OG1-NE1 2.82Å
13C97.9Very high96.9Very high32 Ų3252.1 Ų52.122%0.21627%0.273CS..EExtended strand (participates in β ladder)trans-125.2154.8174.957.20000110.1T18 I19 A44C13-T18 WeakPolarHBondContact CA-O 3.5Å; C13-I19 HydrophobicContact CB-CG1 4.18Å; C13-A44 HydrophobicContact CB-CB 3.77Å; C13-A44 WeakPolarHBondContact CB-O 3.45Å; C13-A44 PolarHBondContact SG-O 3.42Å
14A97Very high96.7Very high39 Ų3948.5 Ų48.532%0.32226%0.26SS..  trans-145.6161.8-178.400000112.1D16 R17 T18A14-D16 VanDerWaalsContact CB-OD1 3.32Å; A14-D16 WeakPolarHBondContact CB-OD1 3.41Å; A14-D16 PolarHBondContact O-N 3.37Å; A14-R17 PolarHBondContact O-N 2.83Å; A14-R17 VanDerWaalsContact O-N 3.14Å; A14-T18 PolarHBondContact N-O 3.11Å
15D96.9Very high96.5Very high125 Ų12555.8 Ų55.867%0.66829%0.291SS*.THydrogen-bonded Turntrans-66.2-17.6-179.2-60.7-10.5000112.9R17 H43D15-R17 PolarHBondContact O-N 3.05Å; D15-H43 IonicContact OD1-CD2 3.37Å; D15-H43 PolarHBondContact OD1-CD2 3.14Å
16D96.8Very high96.2Very high90 Ų9054 Ų5448%0.48128%0.275SS..THydrogen-bonded Turntrans-72.312.1171.875.4-10.1000113.5A14 T18A14-D16 VanDerWaalsContact CB-OD1 3.32Å; A14-D16 WeakPolarHBondContact CB-OD1 3.41Å; A14-D16 PolarHBondContact O-N 3.37Å; D16-T18 VanDerWaalsContact CG-OG1 3.31Å; D16-T18 PolarHBondContact O-N 3.04Å; D16-T18 WeakPolarHBondContact OD1-CB 3.27Å; D16-T18 VanDerWaalsContact OD1-CG2 3.28Å; D16-T18 WeakPolarHBondContact OD1-CG2 3.32Å; D16-T18 PolarHBondContact OD1-N 3Å; D16-T18 PolarHBondContact OD1-OG1 3Å; D16-T18 WeakPolarHBondContact OD2-CG2 3.46Å; D16-T18 PolarHBondContact OD2-OG1 3.2Å
17R96.8Very high96Very high126 Ų12654.1 Ų54.148%0.47527%0.272SS..SBendtrans699.4179.7-41-174.4-176.2168-1.5113.9A14 D15 N38 V39 D42 H43A14-R17 PolarHBondContact O-N 2.83Å; A14-R17 VanDerWaalsContact O-N 3.14Å; D15-R17 PolarHBondContact O-N 3.05Å; R17-N38 WeakPolarHBondContact O-CA 3.39Å; R17-V39 PolarHBondContact O-N 2.84Å; R17-D42 VanDerWaalsContact CB-O 3.29Å; R17-D42 WeakPolarHBondContact CB-O 3.28Å; R17-D42 VanDerWaalsContact CD-O 3.31Å; R17-D42 WeakPolarHBondContact CD-O 3.4Å; R17-D42 WeakPolarHBondContact CG-O 3.22Å; R17-H43 HydrophobicContact CG-CB 4.44Å
18T97.1Very high95.8Very high2 Ų260.6 Ų60.61%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-90.4140.718071.80000112C13 A14 D16 R36C13-T18 WeakPolarHBondContact CA-O 3.5Å; A14-T18 PolarHBondContact N-O 3.11Å; D16-T18 VanDerWaalsContact CG-OG1 3.31Å; D16-T18 PolarHBondContact O-N 3.04Å; D16-T18 WeakPolarHBondContact OD1-CB 3.27Å; D16-T18 VanDerWaalsContact OD1-CG2 3.28Å; D16-T18 WeakPolarHBondContact OD1-CG2 3.32Å; D16-T18 PolarHBondContact OD1-N 3Å; D16-T18 PolarHBondContact OD1-OG1 3Å; D16-T18 WeakPolarHBondContact OD2-CG2 3.46Å; D16-T18 PolarHBondContact OD2-OG1 3.2Å; T18-R36 VanDerWaalsContact CG2-CZ 3.48Å; T18-R36 VanDerWaalsContact CG2-NH2 3.26Å
19I97.9Very high95.7Very high0 Ų060.5 Ų60.50%030%0.298CS..EExtended strand (participates in β ladder)trans-116.2121.8163-60146.4000105.9T12 C13 I21 A37 V39 A44 F56 V58 F69T12-I19 CarbonylContact O-C 3.59Å; T12-I19 WeakPolarHBondContact O-CA 3.18Å; C13-I19 HydrophobicContact CB-CG1 4.18Å; I19-I21 HydrophobicContact CG2-CD1 4.2Å; I19-A37 HydrophobicContact CB-CB 4.17Å; I19-A37 PolarHBondContact N-O 2.95Å; I19-A37 PolarHBondContact O-N 2.94Å; I19-V39 HydrophobicContact CD1-CG2 3.5Å; I19-V39 HydrophobicContact CG1-CG2 4.35Å; I19-A44 HydrophobicContact CG1-CB 4.43Å; I19-F56 HydrophobicContact CD1-CE2 4.2Å; I19-F56 HydrophobicContact CG2-CE2 3.77Å; I19-F56 HydrophobicContact CG2-CZ 4.01Å; I19-V58 HydrophobicContact CD1-CG1 3.78Å; I19-V58 HydrophobicContact CG1-CG1 4.26Å; I19-F69 HydrophobicContact CD1-CD2 4.45Å; I19-F69 HydrophobicContact CD1-CE2 3.91Å; I19-F69 HydrophobicContact CD1-CZ 3.99Å
20R97.2Very high95.4Very high89 Ų8971.1 Ų71.134%0.33634%0.338SS..EExtended strand (participates in β ladder)trans-106.9131.8179.8-66.9177.8-179.8-98.54.1109.5A11 T12 W22 S34 M35A11-R20 WeakPolarHBondContact CA-O 3.35Å; T12-R20 PolarHBondContact N-O 2.83Å; T12-R20 PolarHBondContact O-N 2.99Å; R20-W22 HydrophobicContact CB-CZ2 4.05Å; R20-W22 HydrophobicContact CG-CZ2 4.43Å; R20-S34 PolarHBondContact NH1-OG 2.89Å; R20-M35 WeakPolarHBondContact CA-O 3.32Å
21I97.1Very high94.8Very high0 Ų076.3 Ų76.30%036%0.361CS..EExtended strand (participates in β ladder)trans-110.2119.4172.6-51.3-57.3000107.8Y9 L10 A11 I19 S34 M35 F49 F56 F81Y9-I21 HydrophobicContact CD1-CG2 4.06Å; Y9-I21 HydrophobicContact CG-CG2 4.25Å; L10-I21 CarbonylContact O-C 3.44Å; L10-I21 WeakPolarHBondContact O-CA 3.32Å; A11-I21 HydrophobicContact CB-CD1 3.61Å; I19-I21 HydrophobicContact CG2-CD1 4.2Å; I21-S34 CarbonylContact O-C 3.6Å; I21-S34 WeakPolarHBondContact O-CA 3.39Å; I21-M35 HydrophobicContact CB-CB 4.43Å; I21-M35 HydrophobicContact CB-CE 4.08Å; I21-M35 HydrophobicContact CG2-CE 3.71Å; I21-M35 PolarHBondContact N-O 3.27Å; I21-M35 PolarHBondContact O-N 3.29Å; I21-F49 HydrophobicContact CD1-CZ 4.2Å; I21-F49 HydrophobicContact CG2-CZ 4.44Å; I21-F56 HydrophobicContact CD1-CD1 4.22Å; I21-F56 HydrophobicContact CD1-CE1 3.92Å; I21-F56 HydrophobicContact CD1-CZ 4.31Å; I21-F56 HydrophobicContact CG1-CE1 4.3Å; I21-F81 HydrophobicContact CB-CE1 4.37Å; I21-F81 HydrophobicContact CB-CZ 3.84Å; I21-F81 HydrophobicContact CG1-CD1 4.47Å; I21-F81 HydrophobicContact CG1-CE1 3.69Å; I21-F81 HydrophobicContact CG1-CE2 4.14Å; I21-F81 HydrophobicContact CG1-CZ 3.5Å; I21-F81 HydrophobicContact CG2-CZ 4.37Å
22W95.8Very high94.2Very high56 Ų5681 Ų8121%0.21238%0.383CS..EExtended strand (participates in β ladder)trans-107.1142-176.8-49.284.3000110.4Y9 L10 T12 R20 F27 H32Y9-W22 CarbonylContact C-O 3.58Å; Y9-W22 WeakPolarHBondContact CA-O 3.43Å; L10-W22 HydrophobicContact CB-CB 4.3Å; L10-W22 PolarHBondContact N-O 3.45Å; L10-W22 PolarHBondContact O-N 2.77Å; T12-W22 PolarHBondContact OG1-NE1 2.82Å; R20-W22 HydrophobicContact CB-CZ2 4.05Å; R20-W22 HydrophobicContact CG-CZ2 4.43Å; W22-F27 HydrophobicContact CB-CE1 3.68Å; W22-F27 HydrophobicContact CB-CZ 4.05Å; W22-F27 HydrophobicContact CG-CE1 4.41Å; W22-H32 HydrophobicContact CE3-CB 4.47Å; W22-H32 HydrophobicContact CZ3-CB 4.13Å
23S93.8Very high93.5Very high28 Ų2888.4 Ų88.420%0.19641%0.407CS..EExtended strand (participates in β ladder)trans-80.1121.4167.1170.40000108.9K25 D26 F27S23-K25 PolarHBondContact O-N 2.67Å; S23-D26 WeakPolarHBondContact CB-OD2 3.4Å; S23-D26 PolarHBondContact O-N 3.37Å; S23-D26 PolarHBondContact OG-OD2 3.06Å; S23-F27 WeakPolarHBondContact O-CD1 3.35Å
24T94.5Very high93.2Very high35 Ų3588.4 Ų88.422%0.21541%0.408CS..G310 helixtrans-69-21.9-179.556.80000112.7F3 G7 K8 L10 D26 F27F3-T24 HydrophobicContact CD1-CG2 4.01Å; F3-T24 HydrophobicContact CE1-CG2 3.78Å; G7-T24 WeakPolarHBondContact O-CB 3.48Å; G7-T24 VanDerWaalsContact O-CG2 3.31Å; G7-T24 WeakPolarHBondContact O-CG2 3.32Å; G7-T24 PolarHBondContact O-OG1 2.93Å; K8-T24 WeakPolarHBondContact CA-OG1 3.42Å; K8-T24 PolarHBondContact O-N 3.49Å; K8-T24 PolarHBondContact O-OG1 2.81Å; L10-T24 HydrophobicContact CB-CG2 4.48Å; T24-D26 PolarHBondContact O-N 3.22Å; T24-F27 HydrophobicContact CG2-CD2 4.49Å; T24-F27 HydrophobicContact CG2-CE2 3.84Å; T24-F27 HydrophobicContact CG2-CZ 4.07Å; T24-F27 PolarHBondContact O-N 2.82Å
25K92.5Very high93.1Very high157 Ų15788.9 Ų88.968%0.68340%0.404SS*.G310 helixtrans-65-23.7175.2-64.6-175.8173.8-1710113S23S23-K25 PolarHBondContact O-N 2.67Å
26D91.9Very high93Very high45 Ų4589.7 Ų89.724%0.24140%0.398CS..G310 helixtrans-93.5-5.2-174.4-55.3-26.6000112.1S23 T24 L28 Q29 H32S23-D26 WeakPolarHBondContact CB-OD2 3.4Å; S23-D26 PolarHBondContact O-N 3.37Å; S23-D26 PolarHBondContact OG-OD2 3.06Å; T24-D26 PolarHBondContact O-N 3.22Å; D26-L28 PolarHBondContact O-N 3.21Å; D26-L28 VanDerWaalsContact O-N 3.1Å; D26-Q29 WeakPolarHBondContact O-CB 3.48Å; D26-Q29 PolarHBondContact O-N 3.02Å; D26-Q29 PolarHBondContact OD1-NE2 3.05Å; D26-H32 PolarHBondContact O-CD2 2.59Å; D26-H32 PolarHBondContact O-NE2 3Å
27F92.3Very high93Very high76 Ų7685.7 Ų85.733%0.33338%0.377SS..THydrogen-bonded Turntrans-63.7-18.8-175.1-72.3-5.4000115.6F3 L10 W22 S23 T24 H32F3-F27 HydrophobicContact CE1-CE2 4.18Å; L10-F27 HydrophobicContact CB-CE2 4.47Å; L10-F27 HydrophobicContact CB-CZ 3.83Å; L10-F27 HydrophobicContact CD2-CE2 4.15Å; L10-F27 HydrophobicContact CD2-CZ 3.66Å; L10-F27 HydrophobicContact CG-CZ 4.4Å; W22-F27 HydrophobicContact CB-CE1 3.68Å; W22-F27 HydrophobicContact CB-CZ 4.05Å; W22-F27 HydrophobicContact CG-CE1 4.41Å; S23-F27 WeakPolarHBondContact O-CD1 3.35Å; T24-F27 HydrophobicContact CG2-CD2 4.49Å; T24-F27 HydrophobicContact CG2-CE2 3.84Å; T24-F27 HydrophobicContact CG2-CZ 4.07Å; T24-F27 PolarHBondContact O-N 2.82Å; F27-H32 PolarHBondContact O-NE2 2.92Å
28L91.7Very high92.9Very high175 Ų17583.6 Ų83.692%0.91638%0.375SS*.THydrogen-bonded Turntrans-97.5-4.2175.6-60.2-179.1000112.5D26D26-L28 PolarHBondContact O-N 3.21Å; D26-L28 VanDerWaalsContact O-N 3.1Å
29Q92.6Very high92.8Very high104 Ų10483.7 Ų83.749%0.48638%0.376SS..SBendtrans-85.7162.8-179.3-58.2177.525.500110.2D26 H32D26-Q29 WeakPolarHBondContact O-CB 3.48Å; D26-Q29 PolarHBondContact O-N 3.02Å; D26-Q29 PolarHBondContact OD1-NE2 3.05Å; Q29-H32 PolarHBondContact O-CD2 3.14Å; Q29-H32 PolarHBondContact O-NE2 3.22Å
30R89.3Confident92.5Very high258 Ų25891 Ų9197%0.97441%0.41SS*.SBendtrans-73.6-30.5176.1-78.8-175.6167.9-172.2-3.2113
31E85.3Confident92.3Very high129 Ų12993.4 Ų93.460%0.60343%0.428SS*.  trans-104.5123.3178.8-68.4-169.8-172.400110.2R33E31-R33 IonicContact OE2-NH2 3.57Å
32H85.4Confident92.2Very high99 Ų9994 Ų9446%0.45843%0.432SS..  trans-110.1113.6175.5-60.8168.3000109.6W22 D26 F27 Q29W22-H32 HydrophobicContact CE3-CB 4.47Å; W22-H32 HydrophobicContact CZ3-CB 4.13Å; D26-H32 PolarHBondContact O-CD2 2.59Å; D26-H32 PolarHBondContact O-NE2 3Å; F27-H32 PolarHBondContact O-NE2 2.92Å; Q29-H32 PolarHBondContact O-CD2 3.14Å; Q29-H32 PolarHBondContact O-NE2 3.22Å
33R83.6Confident92.3Very high191 Ų19193.5 Ų93.572%0.72143%0.432SS*.  trans-98.7132.1172.7-64.7-175.3-174-173.62.9109.6E31E31-R33 IonicContact OE2-NH2 3.57Å
34S92.4Very high92.4Very high33 Ų3392.3 Ų92.323%0.23142%0.423CS..EExtended strand (participates in β ladder)trans-112.4140.7171.866.60000110R20 I21R20-S34 PolarHBondContact NH1-OG 2.89Å; I21-S34 CarbonylContact O-C 3.6Å; I21-S34 WeakPolarHBondContact O-CA 3.39Å
35M94.6Very high92.6Very high48 Ų4894.3 Ų94.324%0.23644%0.436CS..EExtended strand (participates in β ladder)trans-83.2145.5165.9-51.8173.4-78.200108.8Y9 R20 I21 Y79 F81Y9-M35 HydrophobicContact CD1-CE 4.25Å; Y9-M35 HydrophobicContact CE1-CE 4.08Å; R20-M35 WeakPolarHBondContact CA-O 3.32Å; I21-M35 HydrophobicContact CB-CB 4.43Å; I21-M35 HydrophobicContact CB-CE 4.08Å; I21-M35 HydrophobicContact CG2-CE 3.71Å; I21-M35 PolarHBondContact N-O 3.27Å; I21-M35 PolarHBondContact O-N 3.29Å; M35-Y79 HydrophobicContact CE-CD2 4.07Å; M35-Y79 HydrophobicContact SD-CD2 3.76Å; M35-Y79 HydrophobicContact SD-CG 4.14Å; M35-F81 HydrophobicContact CB-CE2 3.54Å; M35-F81 HydrophobicContact CB-CZ 3.75Å; M35-F81 HydrophobicContact CE-CZ 4.22Å; M35-F81 HydrophobicContact SD-CZ 4.25Å
36R94.9Very high92.8Very high143 Ų14390.5 Ų90.554%0.5442%0.422SS..EExtended strand (participates in β ladder)trans-115.6128.9-172.8-176.6178175175.92.5111.2T18 N38T18-R36 VanDerWaalsContact CG2-CZ 3.48Å; T18-R36 VanDerWaalsContact CG2-NH2 3.26Å; R36-N38 PolarHBondContact NE-OD1 2.86Å; R36-N38 PolarHBondContact NH2-OD1 2.85Å; R36-N38 VanDerWaalsContact NH2-OD1 3.15Å
37A96.1Very high93.1Very high5 Ų588.3 Ų88.34%0.04141%0.411CS..EExtended strand (participates in β ladder)trans-110.5157158.500000108.7I19 F56 F69 F81I19-A37 HydrophobicContact CB-CB 4.17Å; I19-A37 PolarHBondContact N-O 2.95Å; I19-A37 PolarHBondContact O-N 2.94Å; A37-F56 HydrophobicContact CB-CZ 4.13Å; A37-F69 HydrophobicContact CB-CD1 4.27Å; A37-F69 HydrophobicContact CB-CE1 4.31Å; A37-F81 HydrophobicContact CB-CB 3.55Å; A37-F81 HydrophobicContact CB-CD2 3.78Å; A37-F81 HydrophobicContact CB-CG 3.8Å
38N95.5Very high93.4Very high83 Ų8389.7 Ų89.744%0.44441%0.414SS..EExtended strand (participates in β ladder)trans-126.1145.6177.7-73.3-33.2000110.3R17 R36 F69R17-N38 WeakPolarHBondContact O-CA 3.39Å; R36-N38 PolarHBondContact NE-OD1 2.86Å; R36-N38 PolarHBondContact NH2-OD1 2.85Å; R36-N38 VanDerWaalsContact NH2-OD1 3.15Å; N38-F69 WeakPolarHBondContact O-CE1 3.31Å
39V94.9Very high93.7Very high4 Ų482.3 Ų82.32%0.02437%0.374CS..  trans-93.5122.8163.5-177.40000107.7R17 I19 D42 A44 L60 F69R17-V39 PolarHBondContact O-N 2.84Å; I19-V39 HydrophobicContact CD1-CG2 3.5Å; I19-V39 HydrophobicContact CG1-CG2 4.35Å; V39-D42 HydrophobicContact CG1-CB 3.76Å; V39-A44 HydrophobicContact CG2-CB 4.25Å; V39-L60 HydrophobicContact CG1-CD2 3.47Å; V39-L60 VanDerWaalsContact CG1-CD2 3.47Å; V39-L60 HydrophobicContact CG2-CD2 4.25Å; V39-F69 HydrophobicContact CG2-CE2 4.49Å; V39-F69 HydrophobicContact CG2-CZ 4.24Å
40E91.4Very high93.9Very high154 Ų15478.5 Ų78.572%0.7236%0.359SS*.SBendtrans-78.6131178.2-153.6-177.9164.300110.4D42E40-D42 PolarHBondContact O-N 3.15Å
41L92.2Very high94.3Very high138 Ų13871.8 Ų71.872%0.72335%0.349SS*.SBendtrans56.810.7177.6-56.2176.3000116.7
42D95.6Very high94.9Very high13 Ų1370.3 Ų70.37%0.0735%0.345CS..SBendtrans-148.2-178.4177.4-157.5-8.1000110.5R17 V39 E40 L60 N62 G63R17-D42 VanDerWaalsContact CB-O 3.29Å; R17-D42 WeakPolarHBondContact CB-O 3.28Å; R17-D42 VanDerWaalsContact CD-O 3.31Å; R17-D42 WeakPolarHBondContact CD-O 3.4Å; R17-D42 WeakPolarHBondContact CG-O 3.22Å; V39-D42 HydrophobicContact CG1-CB 3.76Å; E40-D42 PolarHBondContact O-N 3.15Å; D42-L60 WeakPolarHBondContact OD2-CB 3.28Å; D42-N62 PolarHBondContact OD1-N 2.78Å; D42-N62 VanDerWaalsContact OD1-N 3.14Å; D42-N62 PolarHBondContact OD1-ND2 2.96Å; D42-N62 WeakPolarHBondContact OD2-CB 3.28Å; D42-N62 PolarHBondContact OD2-N 2.84Å; D42-G63 PolarHBondContact OD2-N 3.05Å
43H97Very high95.3Very high46 Ų4666.6 Ų66.621%0.21333%0.33CS..  trans-134.1157.6173.563.1-63.5000110.7D15 R17 A61D15-H43 IonicContact OD1-CD2 3.37Å; D15-H43 PolarHBondContact OD1-CD2 3.14Å; R17-H43 HydrophobicContact CG-CB 4.44Å; H43-A61 WeakPolarHBondContact CE1-CB 3.27Å; H43-A61 VanDerWaalsContact NE2-CB 3.35Å; H43-A61 WeakPolarHBondContact NE2-CB 3.18Å; H43-A61 PolarHBondContact O-N 2.8Å
44A97.4Very high95.9Very high2 Ų266.1 Ų66.12%0.01733%0.328CS..EExtended strand (participates in β ladder)trans-102.5126.4-178.700000110.8C13 I19 V39 V58 W59C13-A44 HydrophobicContact CB-CB 3.77Å; C13-A44 WeakPolarHBondContact CB-O 3.45Å; C13-A44 PolarHBondContact SG-O 3.42Å; I19-A44 HydrophobicContact CG1-CB 4.43Å; V39-A44 HydrophobicContact CG2-CB 4.25Å; A44-V58 HydrophobicContact CB-CB 3.75Å; A44-V58 HydrophobicContact CB-CG1 4.05Å; A44-V58 HydrophobicContact CB-CG2 4.26Å; A44-W59 VanDerWaalsContact CA-O 3.28Å; A44-W59 WeakPolarHBondContact CA-O 3Å
45T97.4Very high96.1Very high78 Ų7865.5 Ų65.548%0.47933%0.325SS..EExtended strand (participates in β ladder)trans-94.3-19.8175.264.50000112.5W59 A61T45-W59 PolarHBondContact N-O 2.84Å; T45-W59 VanDerWaalsContact N-O 3.13Å; T45-A61 HydrophobicContact CG2-CB 3.86Å
46L97.6Very high96.2Very high76 Ų7663.2 Ų63.240%0.39831%0.314SS..EExtended strand (participates in β ladder)trans-138.6148.3176.8-165.763.7000110.7V58 W59L46-V58 CarbonylContact O-C 3.46Å; L46-V58 WeakPolarHBondContact O-CA 3.48Å; L46-V58 WeakPolarHBondContact O-CB 3.26Å; L46-W59 HydrophobicContact CB-CB 3.91Å; L46-W59 PolarHBondContact O-N 3.03Å
47V98.4Very high96.4Very high0 Ų059.1 Ų59.10%030%0.302CS..EExtended strand (participates in β ladder)trans-137.3139.7173.861.90000109.9D2 A11 F56 I57 V58D2-V47 WeakPolarHBondContact CB-O 3.48Å; A11-V47 HydrophobicContact CB-CG1 4.08Å; A11-V47 HydrophobicContact CB-CG2 3.79Å; V47-F56 HydrophobicContact CG2-CB 4.39Å; V47-F56 HydrophobicContact CG2-CD2 3.91Å; V47-F56 HydrophobicContact CG2-CG 4.42Å; V47-I57 CarbonylContact C-O 3.56Å; V47-I57 VanDerWaalsContact CA-O 3.32Å; V47-I57 WeakPolarHBondContact CA-O 3.18Å; V47-V58 HydrophobicContact CB-CG1 4.1Å; V47-V58 HydrophobicContact CG2-CG1 3.93Å
48R98.3Very high96.5Very high105 Ų10559 Ų5940%0.39630%0.3SS..EExtended strand (participates in β ladder)trans-139.4133.4175.6-68.8-67.3176.4-107.110.8111.7M1 D2 F56 I57M1-R48 PolarHBondContact O-NH1 3.13Å; D2-R48 VanDerWaalsContact OD2-CA 3.27Å; D2-R48 WeakPolarHBondContact OD2-CA 3.03Å; D2-R48 WeakPolarHBondContact OD2-CD 3.12Å; R48-F56 CarbonylContact O-C 3.54Å; R48-F56 WeakPolarHBondContact O-CA 3.3Å; R48-F56 VanDerWaalsContact O-CB 3.26Å; R48-F56 WeakPolarHBondContact O-CB 3.41Å; R48-I57 HydrophobicContact CB-CD1 4.33Å; R48-I57 HydrophobicContact CB-CG1 3.84Å; R48-I57 PolarHBondContact N-O 3.14Å; R48-I57 PolarHBondContact O-N 3.03Å
49F98.2Very high96.5Very high19 Ų1959.6 Ų59.68%0.08330%0.297CS..EExtended strand (participates in β ladder)trans-73.7148.6173.9-88.8-76000111.6D2 F3 S4 A11 I21 F56 M71D2-F49 HydrophobicContact CB-CD2 4.45Å; D2-F49 WeakPolarHBondContact O-CE2 3.29Å; D2-F49 PolarHBondContact OD2-N 3.1Å; F3-F49 VanDerWaalsContact C-CD2 3.44Å; S4-F49 VanDerWaalsContact N-CD2 3.3Å; A11-F49 HydrophobicContact CB-CD2 4.07Å; A11-F49 HydrophobicContact CB-CE2 3.38Å; A11-F49 HydrophobicContact CB-CZ 3.81Å; I21-F49 HydrophobicContact CD1-CZ 4.2Å; I21-F49 HydrophobicContact CG2-CZ 4.44Å; F49-F56 HydrophobicContact CD1-CB 4.12Å; F49-F56 HydrophobicContact CE1-CB 4.47Å; F49-F56 HydrophobicContact CE1-CD1 4.43Å; F49-M71 HydrophobicContact CD1-SD 4.36Å; F49-M71 HydrophobicContact CE1-CE 4.38Å; F49-M71 HydrophobicContact CE1-SD 3.69Å
50S97Very high96.6Very high25 Ų2559.5 Ų59.518%0.17530%0.296CS..  trans-69.1145.9164.164.80000109.9D52 C53 R54 A55S50-D52 VanDerWaalsContact CB-OD1 3.29Å; S50-D52 WeakPolarHBondContact CB-OD1 3.37Å; S50-D52 PolarHBondContact O-N 3Å; S50-D52 VanDerWaalsContact O-N 3.14Å; S50-D52 PolarHBondContact OG-OD1 2.9Å; S50-C53 PolarHBondContact O-N 2.92Å; S50-R54 PolarHBondContact OG-N 2.8Å; S50-A55 WeakPolarHBondContact CB-O 3.46Å; S50-A55 PolarHBondContact N-O 2.51Å; S50-A55 PolarHBondContact OG-N 3Å; S50-A55 PolarHBondContact OG-O 3.3Å
51P97.3Very high96.7Very high117 Ų11753.3 Ų53.376%0.7627%0.271SS*.THydrogen-bonded Turntrans-55.7-32.8178.2-29.136.1000113.9S5 C53S5-P51 WeakPolarHBondContact CB-O 3.31Å; S5-P51 WeakPolarHBondContact OG-CA 3.46Å; S5-P51 PolarHBondContact OG-O 2.91Å; P51-C53 VanDerWaalsContact C-N 3.28Å; P51-C53 PolarHBondContact O-N 2.96Å
52D96.7Very high96.8Very high97 Ų9752.3 Ų52.352%0.51927%0.267SS..THydrogen-bonded Turntrans-80.7-1.3178.974-9.8000114.5S50 R54S50-D52 VanDerWaalsContact CB-OD1 3.29Å; S50-D52 WeakPolarHBondContact CB-OD1 3.37Å; S50-D52 PolarHBondContact O-N 3Å; S50-D52 VanDerWaalsContact O-N 3.14Å; S50-D52 PolarHBondContact OG-OD1 2.9Å; D52-R54 PolarHBondContact O-N 2.89Å; D52-R54 PolarHBondContact OD1-N 3Å; D52-R54 WeakPolarHBondContact OD2-CD 3.11Å
53C95.3Very high96.6Very high22 Ų2252.9 Ų52.915%0.14928%0.275CS..SBendtrans60.120.5-178.8-52.70000115.1S5 N6 S50 P51S5-C53 PolarHBondContact N-SG 3.36Å; N6-C53 VanDerWaalsContact CG-SG 3.54Å; N6-C53 PolarHBondContact N-SG 3.39Å; S50-C53 PolarHBondContact O-N 2.92Å; P51-C53 VanDerWaalsContact C-N 3.28Å; P51-C53 PolarHBondContact O-N 2.96Å
54R95.3Very high96.3Very high181 Ų18154.6 Ų54.668%0.68329%0.286SS*.SBendtrans-99.7-11.4179.4-63.4-176.9177.6-173-1.5113.8S50 D52 M71S50-R54 PolarHBondContact OG-N 2.8Å; D52-R54 PolarHBondContact O-N 2.89Å; D52-R54 PolarHBondContact OD1-N 3Å; D52-R54 WeakPolarHBondContact OD2-CD 3.11Å; R54-M71 WeakPolarHBondContact O-CB 3.4Å; R54-M71 PolarHBondContact O-N 2.87Å
55A96.9Very high96.1Very high19 Ų1955.4 Ų55.416%0.15729%0.291CS..EExtended strand (participates in β ladder)trans-149.9172.3-179.100000110.7S50 V68 F69S50-A55 WeakPolarHBondContact CB-O 3.46Å; S50-A55 PolarHBondContact N-O 2.51Å; S50-A55 PolarHBondContact OG-N 3Å; S50-A55 PolarHBondContact OG-O 3.3Å; A55-V68 HydrophobicContact CB-CG1 4.35Å; A55-F69 CarbonylContact C-O 3.57Å; A55-F69 WeakPolarHBondContact CA-O 3.29Å; A55-F69 VanDerWaalsContact CB-O 3.27Å; A55-F69 WeakPolarHBondContact CB-O 3.31Å
56F97.8Very high96Very high1 Ų154.3 Ų54.30%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-143.2157.616457.5-92.2000109.3I19 I21 A37 V47 R48 F49 V58 F69 M71 F81I19-F56 HydrophobicContact CD1-CE2 4.2Å; I19-F56 HydrophobicContact CG2-CE2 3.77Å; I19-F56 HydrophobicContact CG2-CZ 4.01Å; I21-F56 HydrophobicContact CD1-CD1 4.22Å; I21-F56 HydrophobicContact CD1-CE1 3.92Å; I21-F56 HydrophobicContact CD1-CZ 4.31Å; I21-F56 HydrophobicContact CG1-CE1 4.3Å; A37-F56 HydrophobicContact CB-CZ 4.13Å; V47-F56 HydrophobicContact CG2-CB 4.39Å; V47-F56 HydrophobicContact CG2-CD2 3.91Å; V47-F56 HydrophobicContact CG2-CG 4.42Å; R48-F56 CarbonylContact O-C 3.54Å; R48-F56 WeakPolarHBondContact O-CA 3.3Å; R48-F56 VanDerWaalsContact O-CB 3.26Å; R48-F56 WeakPolarHBondContact O-CB 3.41Å; F49-F56 HydrophobicContact CD1-CB 4.12Å; F49-F56 HydrophobicContact CE1-CB 4.47Å; F49-F56 HydrophobicContact CE1-CD1 4.43Å; F56-V58 HydrophobicContact CD2-CG1 4.1Å; F56-V58 HydrophobicContact CE2-CG1 4.21Å; F56-F69 HydrophobicContact CD1-CB 4.21Å; F56-F69 HydrophobicContact CD2-CB 3.86Å; F56-F69 HydrophobicContact CD2-CD2 4.22Å; F56-F69 HydrophobicContact CD2-CG 4.31Å; F56-F69 HydrophobicContact CE1-CB 3.76Å; F56-F69 HydrophobicContact CE2-CB 3.35Å; F56-F69 HydrophobicContact CE2-CD1 4.33Å; F56-F69 AromaticContact CE2-CD2 3.6Å; F56-F69 HydrophobicContact CE2-CD2 3.6Å; F56-F69 HydrophobicContact CE2-CE2 4.48Å; F56-F69 AromaticContact CE2-CG 3.5Å; F56-F69 HydrophobicContact CE2-CG 3.5Å; F56-F69 HydrophobicContact CG-CB 4.26Å; F56-F69 HydrophobicContact CZ-CB 3.3Å; F56-F69 HydrophobicContact CZ-CD1 4.19Å; F56-F69 HydrophobicContact CZ-CD2 4.24Å; F56-F69 AromaticContact CZ-CG 3.67Å; F56-F69 HydrophobicContact CZ-CG 3.67Å; F56-F69 PolarHBondContact N-O 3.23Å; F56-F69 PolarHBondContact O-N 3.02Å; F56-M71 HydrophobicContact CD1-CG 4.06Å; F56-M71 HydrophobicContact CD1-SD 4.12Å; F56-M71 HydrophobicContact CE1-CG 4.12Å; F56-F81 AromaticContact CE1-CD1 3.66Å; F56-F81 HydrophobicContact CE1-CD1 3.66Å; F56-F81 HydrophobicContact CE1-CE1 4.14Å; F56-F81 HydrophobicContact CE1-CG 4.35Å; F56-F81 HydrophobicContact CZ-CD1 4.24Å; F56-F81 HydrophobicContact CZ-CG 4.5Å
57I97.8Very high95.9Very high57 Ų5753.1 Ų53.129%0.29227%0.272SS..EExtended strand (participates in β ladder)trans-111.3151.8173.864.1174.5000110V47 R48 L66 R67 V68V47-I57 CarbonylContact C-O 3.56Å; V47-I57 VanDerWaalsContact CA-O 3.32Å; V47-I57 WeakPolarHBondContact CA-O 3.18Å; R48-I57 HydrophobicContact CB-CD1 4.33Å; R48-I57 HydrophobicContact CB-CG1 3.84Å; R48-I57 PolarHBondContact N-O 3.14Å; R48-I57 PolarHBondContact O-N 3.03Å; I57-L66 HydrophobicContact CD1-CD1 4.4Å; I57-L66 HydrophobicContact CD1-CD2 4.35Å; I57-R67 CarbonylContact C-O 3.57Å; I57-R67 VanDerWaalsContact CA-O 3.28Å; I57-R67 WeakPolarHBondContact CA-O 3.42Å; I57-V68 HydrophobicContact CG2-CG2 4.04Å
58V97.6Very high95.8Very high1 Ų154.6 Ų54.61%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-129.7146.9172.9-61.80000111.3I19 A44 L46 V47 F56 L60 L66 R67 F69I19-V58 HydrophobicContact CD1-CG1 3.78Å; I19-V58 HydrophobicContact CG1-CG1 4.26Å; A44-V58 HydrophobicContact CB-CB 3.75Å; A44-V58 HydrophobicContact CB-CG1 4.05Å; A44-V58 HydrophobicContact CB-CG2 4.26Å; L46-V58 CarbonylContact O-C 3.46Å; L46-V58 WeakPolarHBondContact O-CA 3.48Å; L46-V58 WeakPolarHBondContact O-CB 3.26Å; V47-V58 HydrophobicContact CB-CG1 4.1Å; V47-V58 HydrophobicContact CG2-CG1 3.93Å; F56-V58 HydrophobicContact CD2-CG1 4.1Å; F56-V58 HydrophobicContact CE2-CG1 4.21Å; V58-L60 HydrophobicContact CG2-CD2 3.95Å; V58-L66 VanDerWaalsContact O-CA 3.27Å; V58-L66 WeakPolarHBondContact O-CA 3.27Å; V58-L66 WeakPolarHBondContact O-CD2 3.29Å; V58-R67 HydrophobicContact CG2-CB 3.87Å; V58-R67 PolarHBondContact N-O 3.05Å; V58-R67 PolarHBondContact O-N 3.22Å; V58-F69 HydrophobicContact CG2-CD2 4.19Å; V58-F69 HydrophobicContact CG2-CE2 3.7Å
59W96.8Very high95.8Very high97 Ų9749.8 Ų49.837%0.36726%0.263SS..EExtended strand (participates in β ladder)trans-88.1120.4167.4179.1-89.9000109.6A44 T45 L46 D64 L66A44-W59 VanDerWaalsContact CA-O 3.28Å; A44-W59 WeakPolarHBondContact CA-O 3Å; T45-W59 PolarHBondContact N-O 2.84Å; T45-W59 VanDerWaalsContact N-O 3.13Å; L46-W59 HydrophobicContact CB-CB 3.91Å; L46-W59 PolarHBondContact O-N 3.03Å; W59-D64 HydrophobicContact CH2-CB 4.08Å; W59-D64 HydrophobicContact CZ2-CB 3.88Å; W59-L66 HydrophobicContact CB-CD2 4.26Å; W59-L66 HydrophobicContact CE3-CD2 3.9Å; W59-L66 HydrophobicContact CE3-CG 4.16Å
60L95.6Very high95.7Very high2 Ų255 Ų551%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-83.7125.7178.5-64.9-170.9000110.7V39 D42 V58 D64 T65 R67 D87V39-L60 HydrophobicContact CG1-CD2 3.47Å; V39-L60 VanDerWaalsContact CG1-CD2 3.47Å; V39-L60 HydrophobicContact CG2-CD2 4.25Å; D42-L60 WeakPolarHBondContact OD2-CB 3.28Å; V58-L60 HydrophobicContact CG2-CD2 3.95Å; L60-D64 PolarHBondContact O-N 3.15Å; L60-T65 PolarHBondContact N-O 3.42Å; L60-R67 HydrophobicContact CD1-CB 4.09Å; L60-R67 HydrophobicContact CD2-CB 4.33Å; L60-R67 HydrophobicContact CG-CB 4.18Å; L60-D87 WeakPolarHBondContact CD1-OD2 3.42Å
61A95.3Very high95.7Very high24 Ų2454.5 Ų54.520%0.19828%0.281CS..THydrogen-bonded Turntrans-66.7-44.3-173.400000113.3H43 T45H43-A61 WeakPolarHBondContact CE1-CB 3.27Å; H43-A61 VanDerWaalsContact NE2-CB 3.35Å; H43-A61 WeakPolarHBondContact NE2-CB 3.18Å; H43-A61 PolarHBondContact O-N 2.8Å; T45-A61 HydrophobicContact CG2-CB 3.86Å
62N94Very high95.6Very high117 Ų11751.8 Ų51.863%0.62626%0.262SS*.THydrogen-bonded Turntrans-92.4-32179.6-58.7-41000111.3D42 D64D42-N62 PolarHBondContact OD1-N 2.78Å; D42-N62 VanDerWaalsContact OD1-N 3.14Å; D42-N62 PolarHBondContact OD1-ND2 2.96Å; D42-N62 WeakPolarHBondContact OD2-CB 3.28Å; D42-N62 PolarHBondContact OD2-N 2.84Å; N62-D64 VanDerWaalsContact C-N 3.3Å; N62-D64 PolarHBondContact O-N 3.36Å
63G91.3Very high95.3Very high24 Ų2453.7 Ų53.725%0.24727%0.266CS..THydrogen-bonded Turntrans-66.5-26.1179.500000114.1D42 T65 K90D42-G63 PolarHBondContact OD2-N 3.05Å; G63-T65 PolarHBondContact O-N 3.18Å; G63-K90 WeakPolarHBondContact O-CE 3.45Å; G63-K90 PolarHBondContact O-NZ 2.84Å
64D90.8Very high95.1Very high82 Ų8259 Ų5944%0.43928%0.282SS..  trans4040.1-161.3-36.8-60.2000113.7W59 L60 N62 K90W59-D64 HydrophobicContact CH2-CB 4.08Å; W59-D64 HydrophobicContact CZ2-CB 3.88Å; L60-D64 PolarHBondContact O-N 3.15Å; N62-D64 VanDerWaalsContact C-N 3.3Å; N62-D64 PolarHBondContact O-N 3.36Å; D64-K90 HydrophobicContact CB-CD 4.47Å; D64-K90 WeakPolarHBondContact O-CE 3.5Å; D64-K90 IonicContact OD2-NZ 2.84Å; D64-K90 PolarHBondContact OD2-NZ 2.89Å
65T92.8Very high94.8Very high19 Ų1960.3 Ų60.312%0.11730%0.296CS..SBendtrans-130.8163.6179.652.40000109.9L60 G63 D87 K90L60-T65 PolarHBondContact N-O 3.42Å; G63-T65 PolarHBondContact O-N 3.18Å; T65-D87 HydrophobicContact CG2-CB 4.42Å; T65-D87 PolarHBondContact OG1-OD2 2.95Å; T65-K90 HydrophobicContact CG2-CD 4.41Å; T65-K90 HydrophobicContact CG2-CG 3.68Å
66L95Very high94.3Very high56 Ų5665 Ų6529%0.29332%0.319SS..EExtended strand (participates in β ladder)trans-95.4128.5168.9-69169.3000109.2I57 V58 W59 D87 F88I57-L66 HydrophobicContact CD1-CD1 4.4Å; I57-L66 HydrophobicContact CD1-CD2 4.35Å; V58-L66 VanDerWaalsContact O-CA 3.27Å; V58-L66 WeakPolarHBondContact O-CA 3.27Å; V58-L66 WeakPolarHBondContact O-CD2 3.29Å; W59-L66 HydrophobicContact CB-CD2 4.26Å; W59-L66 HydrophobicContact CE3-CD2 3.9Å; W59-L66 HydrophobicContact CE3-CG 4.16Å; L66-D87 WeakPolarHBondContact O-CA 3.46Å; L66-D87 WeakPolarHBondContact O-CB 3.17Å; L66-F88 HydrophobicContact CB-CB 4.18Å; L66-F88 HydrophobicContact CB-CD2 3.65Å; L66-F88 HydrophobicContact CB-CE2 4.49Å; L66-F88 HydrophobicContact CB-CG 4.31Å; L66-F88 PolarHBondContact O-N 3.46Å
67R95.9Very high93.5Very high51 Ų5166.9 Ų66.919%0.19234%0.338CS..EExtended strand (participates in β ladder)trans-105.3137.9171.4-177.5164.5-68.8167.49.8110.5I57 V58 L60 F69 A83 D87I57-R67 CarbonylContact C-O 3.57Å; I57-R67 VanDerWaalsContact CA-O 3.28Å; I57-R67 WeakPolarHBondContact CA-O 3.42Å; V58-R67 HydrophobicContact CG2-CB 3.87Å; V58-R67 PolarHBondContact N-O 3.05Å; V58-R67 PolarHBondContact O-N 3.22Å; L60-R67 HydrophobicContact CD1-CB 4.09Å; L60-R67 HydrophobicContact CD2-CB 4.33Å; L60-R67 HydrophobicContact CG-CB 4.18Å; R67-F69 HydrophobicContact CB-CE2 4.3Å; R67-F69 HydrophobicContact CG-CD2 4.23Å; R67-F69 HydrophobicContact CG-CE2 3.74Å; R67-F69 HydrophobicContact CG-CZ 4.35Å; R67-A83 HydrophobicContact CG-CB 4.41Å; R67-D87 WeakPolarHBondContact CA-OD1 3.48Å; R67-D87 WeakPolarHBondContact CB-OD1 3.5Å; R67-D87 VanDerWaalsContact CG-OD1 3.27Å; R67-D87 WeakPolarHBondContact CG-OD1 3.47Å; R67-D87 IonicContact CZ-OD1 3.64Å; R67-D87 IonicContact CZ-OD2 2.89Å; R67-D87 IonicContact NE-OD1 3.55Å; R67-D87 PolarHBondContact NE-OD1 2.97Å; R67-D87 IonicContact NE-OD2 2.75Å; R67-D87 IonicContact NH2-OD1 3.58Å; R67-D87 PolarHBondContact NH2-OD1 2.84Å; R67-D87 IonicContact NH2-OD2 3.46Å; R67-D87 PolarHBondContact NH2-OD2 2.84Å
68V96.8Very high92.9Very high30 Ų3065.4 Ų65.418%0.18234%0.337CS..EExtended strand (participates in β ladder)trans-97.4136.9175.7-173.90000109.6A55 I57 A83 T84 F88A55-V68 HydrophobicContact CB-CG1 4.35Å; I57-V68 HydrophobicContact CG2-CG2 4.04Å; V68-A83 CarbonylContact O-C 3.53Å; V68-A83 WeakPolarHBondContact O-CA 3.27Å; V68-T84 HydrophobicContact CB-CG2 3.74Å; V68-T84 HydrophobicContact CG1-CG2 4.09Å; V68-T84 PolarHBondContact O-N 2.89Å; V68-T84 PolarHBondContact O-OG1 3.05Å; V68-F88 HydrophobicContact CG2-CD2 4.09Å; V68-F88 HydrophobicContact CG2-CE2 3.34Å; V68-F88 HydrophobicContact CG2-CZ 4.07Å
69F97.7Very high92.7Very high4 Ų468.1 Ų68.12%0.01835%0.348CS..EExtended strand (participates in β ladder)trans-117.3121.9169.2-74.5-97.8000109.7I19 A37 N38 V39 A55 F56 V58 R67 F81 T82 A83I19-F69 HydrophobicContact CD1-CD2 4.45Å; I19-F69 HydrophobicContact CD1-CE2 3.91Å; I19-F69 HydrophobicContact CD1-CZ 3.99Å; A37-F69 HydrophobicContact CB-CD1 4.27Å; A37-F69 HydrophobicContact CB-CE1 4.31Å; N38-F69 WeakPolarHBondContact O-CE1 3.31Å; V39-F69 HydrophobicContact CG2-CE2 4.49Å; V39-F69 HydrophobicContact CG2-CZ 4.24Å; A55-F69 CarbonylContact C-O 3.57Å; A55-F69 WeakPolarHBondContact CA-O 3.29Å; A55-F69 VanDerWaalsContact CB-O 3.27Å; A55-F69 WeakPolarHBondContact CB-O 3.31Å; F56-F69 HydrophobicContact CD1-CB 4.21Å; F56-F69 HydrophobicContact CD2-CB 3.86Å; F56-F69 HydrophobicContact CD2-CD2 4.22Å; F56-F69 HydrophobicContact CD2-CG 4.31Å; F56-F69 HydrophobicContact CE1-CB 3.76Å; F56-F69 HydrophobicContact CE2-CB 3.35Å; F56-F69 HydrophobicContact CE2-CD1 4.33Å; F56-F69 AromaticContact CE2-CD2 3.6Å; F56-F69 HydrophobicContact CE2-CD2 3.6Å; F56-F69 HydrophobicContact CE2-CE2 4.48Å; F56-F69 AromaticContact CE2-CG 3.5Å; F56-F69 HydrophobicContact CE2-CG 3.5Å; F56-F69 HydrophobicContact CG-CB 4.26Å; F56-F69 HydrophobicContact CZ-CB 3.3Å; F56-F69 HydrophobicContact CZ-CD1 4.19Å; F56-F69 HydrophobicContact CZ-CD2 4.24Å; F56-F69 AromaticContact CZ-CG 3.67Å; F56-F69 HydrophobicContact CZ-CG 3.67Å; F56-F69 PolarHBondContact N-O 3.23Å; F56-F69 PolarHBondContact O-N 3.02Å; V58-F69 HydrophobicContact CG2-CD2 4.19Å; V58-F69 HydrophobicContact CG2-CE2 3.7Å; R67-F69 HydrophobicContact CB-CE2 4.3Å; R67-F69 HydrophobicContact CG-CD2 4.23Å; R67-F69 HydrophobicContact CG-CE2 3.74Å; R67-F69 HydrophobicContact CG-CZ 4.35Å; F69-F81 HydrophobicContact CD1-CB 4.36Å; F69-T82 WeakPolarHBondContact CA-O 3.2Å; F69-A83 HydrophobicContact CD1-CB 4.13Å; F69-A83 HydrophobicContact CE1-CB 3.77Å; F69-A83 HydrophobicContact CZ-CB 4.08Å
70K97Very high92.6Very high129 Ų12965.4 Ų65.456%0.56134%0.342SS*.EExtended strand (participates in β ladder)trans-84.4133173-171.7177.8178.9179.90109.9F81 T82K70-F81 WeakPolarHBondContact O-CA 3.47Å; K70-T82 PolarHBondContact N-O 2.75Å; K70-T82 PolarHBondContact O-N 3.35Å
71M95.7Very high92.6Very high15 Ų1566.8 Ų66.87%0.07435%0.348CS..EExtended strand (participates in β ladder)trans-93.4120.8172.8-58.9174.259.100109.4Y9 F49 R54 F56 Y79 T80 F81Y9-M71 HydrophobicContact CD2-CE 4.44Å; F49-M71 HydrophobicContact CD1-SD 4.36Å; F49-M71 HydrophobicContact CE1-CE 4.38Å; F49-M71 HydrophobicContact CE1-SD 3.69Å; R54-M71 WeakPolarHBondContact O-CB 3.4Å; R54-M71 PolarHBondContact O-N 2.87Å; F56-M71 HydrophobicContact CD1-CG 4.06Å; F56-M71 HydrophobicContact CD1-SD 4.12Å; F56-M71 HydrophobicContact CE1-CG 4.12Å; M71-Y79 HydrophobicContact CB-CD1 4.13Å; M71-Y79 HydrophobicContact CE-CD1 4.14Å; M71-Y79 HydrophobicContact CE-CE1 4.22Å; M71-T80 WeakPolarHBondContact CA-O 3.41Å; M71-F81 HydrophobicContact CB-CD1 4.4Å; M71-F81 HydrophobicContact CB-CE1 4.41Å; M71-F81 HydrophobicContact CE-CE1 4.13Å; M71-F81 HydrophobicContact CG-CD1 3.79Å; M71-F81 HydrophobicContact CG-CE1 3.79Å; M71-F81 HydrophobicContact SD-CE1 4.47Å
72T95.4Very high92.6Very high60 Ų6069.5 Ų69.537%0.36836%0.362SS..EExtended strand (participates in β ladder)trans-117.9121.8175.8-53.30000109.1Y79 T80T72-Y79 CarbonylContact O-C 3.58Å; T72-Y79 VanDerWaalsContact O-CA 3.3Å; T72-Y79 WeakPolarHBondContact O-CA 3.47Å; T72-T80 WeakPolarHBondContact CB-OG1 2.73Å; T72-T80 PolarHBondContact N-O 2.76Å; T72-T80 PolarHBondContact O-N 2.9Å
73K91.2Very high92.7Very high137 Ų13765.9 Ų65.960%0.59635%0.348SS*.EExtended strand (participates in β ladder)trans-72.6129.9174.4-168179.6176.8-172.90108.9G78 Y79K73-G78 CarbonylContact C-O 3.57Å; K73-G78 WeakPolarHBondContact CA-O 3.5Å; K73-Y79 HydrophobicContact CB-CD1 4.26Å; K73-Y79 HydrophobicContact CB-CE1 3.87Å; K73-Y79 HydrophobicContact CG-CE1 4.34Å; K73-Y79 HydrophobicContact CG-CE2 4.34Å
74R90.5Very high92.7Very high132 Ų13267 Ų6750%0.49835%0.35SS..  trans-81.7160.9173.1-70.4-177.5177-173.51.5110.5D76 G77 G78 T80R74-D76 WeakPolarHBondContact CB-OD1 3.47Å; R74-D76 PolarHBondContact O-N 2.88Å; R74-G77 PolarHBondContact O-N 3.03Å; R74-G78 PolarHBondContact N-O 2.92Å; R74-T80 HydrophobicContact CG-CG2 3.96Å; R74-T80 VanDerWaalsContact NH2-CG2 3.31Å
75E88.5Confident92.4Very high209 Ų20969.7 Ų69.798%0.97737%0.372SS*.THydrogen-bonded Turntrans-61.5-32.9175.9-64.7-176.8175.100112.4G77E75-G77 PolarHBondContact O-N 2.86Å; E75-G77 VanDerWaalsContact O-N 3.15Å
76D86.8Confident92.1Very high119 Ų11976.5 Ų76.564%0.63640%0.403SS*.THydrogen-bonded Turntrans-70.7-1174.867.17.1000114.1R74 G78R74-D76 WeakPolarHBondContact CB-OD1 3.47Å; R74-D76 PolarHBondContact O-N 2.88Å; D76-G78 VanDerWaalsContact C-N 3.33Å; D76-G78 WeakPolarHBondContact OD1-CA 3.36Å; D76-G78 PolarHBondContact OD1-N 2.98Å
77G81Confident91.8Very high39 Ų3976 Ų7640%0.40240%0.401SS..SBendtrans86.9-6.9-178.200000115R74 E75R74-G77 PolarHBondContact O-N 3.03Å; E75-G77 PolarHBondContact O-N 2.86Å; E75-G77 VanDerWaalsContact O-N 3.15Å
78G85.9Confident91.4Very high26 Ų2678.8 Ų78.827%0.26841%0.414SS..  trans-74.5-177.6172.900000113.2K73 R74 D76K73-G78 CarbonylContact C-O 3.57Å; K73-G78 WeakPolarHBondContact CA-O 3.5Å; R74-G78 PolarHBondContact N-O 2.92Å; D76-G78 VanDerWaalsContact C-N 3.33Å; D76-G78 WeakPolarHBondContact OD1-CA 3.36Å; D76-G78 PolarHBondContact OD1-N 2.98Å
79Y92Very high90.9Very high59 Ų5981.6 Ų81.623%0.23143%0.433CS..EExtended strand (participates in β ladder)trans-126146.2173.9-74-98.6000111.8Y9 M35 M71 T72 K73Y9-Y79 VanDerWaalsContact OH-CE2 3.31Å; Y9-Y79 WeakPolarHBondContact OH-CE2 3.4Å; Y9-Y79 PolarHBondContact OH-OH 2.64Å; M35-Y79 HydrophobicContact CE-CD2 4.07Å; M35-Y79 HydrophobicContact SD-CD2 3.76Å; M35-Y79 HydrophobicContact SD-CG 4.14Å; M71-Y79 HydrophobicContact CB-CD1 4.13Å; M71-Y79 HydrophobicContact CE-CD1 4.14Å; M71-Y79 HydrophobicContact CE-CE1 4.22Å; T72-Y79 CarbonylContact O-C 3.58Å; T72-Y79 VanDerWaalsContact O-CA 3.3Å; T72-Y79 WeakPolarHBondContact O-CA 3.47Å; K73-Y79 HydrophobicContact CB-CD1 4.26Å; K73-Y79 HydrophobicContact CB-CE1 3.87Å; K73-Y79 HydrophobicContact CG-CE1 4.34Å; K73-Y79 HydrophobicContact CG-CE2 4.34Å
80T94.7Very high90.2Very high39 Ų3986.2 Ų86.224%0.23945%0.453CS..EExtended strand (participates in β ladder)trans-105.3153.4158.758.70000110.8M71 T72 R74M71-T80 WeakPolarHBondContact CA-O 3.41Å; T72-T80 WeakPolarHBondContact CB-OG1 2.73Å; T72-T80 PolarHBondContact N-O 2.76Å; T72-T80 PolarHBondContact O-N 2.9Å; R74-T80 HydrophobicContact CG-CG2 3.96Å; R74-T80 VanDerWaalsContact NH2-CG2 3.31Å
81F96.3Very high89.2Confident31 Ų3189.4 Ų89.414%0.13647%0.467CS..EExtended strand (participates in β ladder)trans-122.3117.3174.6-49.6-71.9000108.2I21 M35 A37 F56 F69 K70 M71I21-F81 HydrophobicContact CB-CE1 4.37Å; I21-F81 HydrophobicContact CB-CZ 3.84Å; I21-F81 HydrophobicContact CG1-CD1 4.47Å; I21-F81 HydrophobicContact CG1-CE1 3.69Å; I21-F81 HydrophobicContact CG1-CE2 4.14Å; I21-F81 HydrophobicContact CG1-CZ 3.5Å; I21-F81 HydrophobicContact CG2-CZ 4.37Å; M35-F81 HydrophobicContact CB-CE2 3.54Å; M35-F81 HydrophobicContact CB-CZ 3.75Å; M35-F81 HydrophobicContact CE-CZ 4.22Å; M35-F81 HydrophobicContact SD-CZ 4.25Å; A37-F81 HydrophobicContact CB-CB 3.55Å; A37-F81 HydrophobicContact CB-CD2 3.78Å; A37-F81 HydrophobicContact CB-CG 3.8Å; F56-F81 AromaticContact CE1-CD1 3.66Å; F56-F81 HydrophobicContact CE1-CD1 3.66Å; F56-F81 HydrophobicContact CE1-CE1 4.14Å; F56-F81 HydrophobicContact CE1-CG 4.35Å; F56-F81 HydrophobicContact CZ-CD1 4.24Å; F56-F81 HydrophobicContact CZ-CG 4.5Å; F69-F81 HydrophobicContact CD1-CB 4.36Å; K70-F81 WeakPolarHBondContact O-CA 3.47Å; M71-F81 HydrophobicContact CB-CD1 4.4Å; M71-F81 HydrophobicContact CB-CE1 4.41Å; M71-F81 HydrophobicContact CE-CE1 4.13Å; M71-F81 HydrophobicContact CG-CD1 3.79Å; M71-F81 HydrophobicContact CG-CE1 3.79Å; M71-F81 HydrophobicContact SD-CE1 4.47Å
82T95.9Very high87.8Confident82 Ų8296 Ų9650%0.50350%0.497SS..EExtended strand (participates in β ladder)trans-114120.5-179.9-52.40000108.1F69 K70F69-T82 WeakPolarHBondContact CA-O 3.2Å; K70-T82 PolarHBondContact N-O 2.75Å; K70-T82 PolarHBondContact O-N 3.35Å
83A95.1Very high86.2Confident40 Ų40101.7 Ų101.733%0.33152%0.517SS..EExtended strand (participates in β ladder)trans-64.1140.2169.900000109.6R67 V68 F69R67-A83 HydrophobicContact CG-CB 4.41Å; V68-A83 CarbonylContact O-C 3.53Å; V68-A83 WeakPolarHBondContact O-CA 3.27Å; F69-A83 HydrophobicContact CD1-CB 4.13Å; F69-A83 HydrophobicContact CE1-CB 3.77Å; F69-A83 HydrophobicContact CZ-CB 4.08Å
84T91.6Very high84.4Confident47 Ų4798.6 Ų98.629%0.28852%0.516SS..  trans-64.3147.8168.450.30000110.1V68 E86V68-T84 HydrophobicContact CB-CG2 3.74Å; V68-T84 HydrophobicContact CG1-CG2 4.09Å; V68-T84 PolarHBondContact O-N 2.89Å; V68-T84 PolarHBondContact O-OG1 3.05Å; T84-E86 PolarHBondContact O-N 3.25Å; T84-E86 PolarHBondContact OG1-O 2.9Å
85P84.9Confident82.9Confident139 Ų13998.2 Ų98.290%0.90353%0.531SS*.SBendtrans-61.3-28.4179.2-22.532.9000113.3
86E85.6Confident81.4Confident162 Ų16298.6 Ų98.676%0.75755%0.547SS*.SBendtrans-119.3142.8-179.5-63.8-177.2-178.100110.7T84T84-E86 PolarHBondContact O-N 3.25Å; T84-E86 PolarHBondContact OG1-O 2.9Å
87D89.4Confident81.2Confident47 Ų4797.6 Ų97.625%0.25154%0.543SS..PPolyproline II helixtrans-87.2160.1168.9-66.2-24.9000110L60 T65 L66 R67L60-D87 WeakPolarHBondContact CD1-OD2 3.42Å; T65-D87 HydrophobicContact CG2-CB 4.42Å; T65-D87 PolarHBondContact OG1-OD2 2.95Å; L66-D87 WeakPolarHBondContact O-CA 3.46Å; L66-D87 WeakPolarHBondContact O-CB 3.17Å; R67-D87 WeakPolarHBondContact CA-OD1 3.48Å; R67-D87 WeakPolarHBondContact CB-OD1 3.5Å; R67-D87 VanDerWaalsContact CG-OD1 3.27Å; R67-D87 WeakPolarHBondContact CG-OD1 3.47Å; R67-D87 IonicContact CZ-OD1 3.64Å; R67-D87 IonicContact CZ-OD2 2.89Å; R67-D87 IonicContact NE-OD1 3.55Å; R67-D87 PolarHBondContact NE-OD1 2.97Å; R67-D87 IonicContact NE-OD2 2.75Å; R67-D87 IonicContact NH2-OD1 3.58Å; R67-D87 PolarHBondContact NH2-OD1 2.84Å; R67-D87 IonicContact NH2-OD2 3.46Å; R67-D87 PolarHBondContact NH2-OD2 2.84Å
88F87.8Confident81.2Confident109 Ų109100.6 Ų100.648%0.47855%0.55SS.*PPolyproline II helixtrans-60.7136.6171.4-75.5-84.8000110.6L66 V68L66-F88 HydrophobicContact CB-CB 4.18Å; L66-F88 HydrophobicContact CB-CD2 3.65Å; L66-F88 HydrophobicContact CB-CE2 4.49Å; L66-F88 HydrophobicContact CB-CG 4.31Å; L66-F88 PolarHBondContact O-N 3.46Å; V68-F88 HydrophobicContact CG2-CD2 4.09Å; V68-F88 HydrophobicContact CG2-CE2 3.34Å; V68-F88 HydrophobicContact CG2-CZ 4.07Å
89P85Confident80.9Confident88 Ų88104.8 Ų104.857%0.57157%0.566SS**PPolyproline II helixtrans-65.5142-178.325.8-33.9000111.3K91P89-K91 HydrophobicContact CG-CG 4.31Å; P89-K91 PolarHBondContact O-N 3.24Å
90K83.6Confident80.3Confident102 Ų102107.5 Ų107.544%0.44359%0.585SS.*  trans-65.394.9169.5-64.2-168.4-176.3-168.40109.4G63 D64 T65G63-K90 WeakPolarHBondContact O-CE 3.45Å; G63-K90 PolarHBondContact O-NZ 2.84Å; D64-K90 HydrophobicContact CB-CD 4.47Å; D64-K90 WeakPolarHBondContact O-CE 3.5Å; D64-K90 IonicContact OD2-NZ 2.84Å; D64-K90 PolarHBondContact OD2-NZ 2.89Å; T65-K90 HydrophobicContact CG2-CD 4.41Å; T65-K90 HydrophobicContact CG2-CG 3.68Å
91K76.4Confident79.4Confident195 Ų195111.8 Ų111.885%0.84861%0.607SS**  trans-88.6-20.5178.2-71.7-169.5177.9-174.20114P89P89-K91 HydrophobicContact CG-CG 4.31Å; P89-K91 PolarHBondContact O-N 3.24Å
92H65.1Low78.2Confident155 Ų155117.1 Ų117.172%0.71864%0.638SS**  trans-134.3131.1-178.9-171.873.3000110.1
93K63.3Low77Confident179 Ų179119.6 Ų119.678%0.77865%0.648SS**  trans-113.8114.8164.1-67.3-174.6179.2-176.30105.8
94A53.8Low75.6Confident71 Ų71125.8 Ų125.859%0.58767%0.673SS**  trans-61.6139.4167.600000107.9
95P59.1Low74.2Confident124 Ų124132.3 Ų132.381%0.80571%0.705SS**  trans-58.5139.8169-13.426.4000109.1
96V56.9Low73.3Confident217 Ų217131.7 Ų131.7100%1.31569%0.687SS**  trans-72.10171.5-172.20000109.3

Retrieved 96 of 96 residues in 57.1 ms (Link to these results)

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