A0A060W2V1_ONCMY Loading...

Cysteine and glycine-rich protein 1

Could play a role in neuronal development.

AlphaFold DB , UniProt , Accession A0A060W2V1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 192 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
1M46.4Very low70.3Confident210 Ų21094.9 Ų94.9100%1.03462%0.62SS**  0112.6055.5-150.4-78.800108.5L3M1-L3 PolarHBondContact O-N 3.45Å
2P48.3Very low71.5Confident141 Ų14190.4 Ų90.492%0.91659%0.591SS**  trans-71.6123.8177.729.7-29.5000108.6
3L60.8Low72.4Confident166 Ų16695.5 Ų95.587%0.86960%0.602SS**  trans-82.5124.7-178.1-71.4147.2000109.9M1M1-L3 PolarHBondContact O-N 3.45Å
4G58.3Low73.4Confident74 Ų7499.1 Ų99.176%0.76360%0.604SS**  trans85.978.1152.900000117G6G4-G6 PolarHBondContact O-N 3.47Å; G4-G6 VanDerWaalsContact O-N 3.13Å
5G66.9Low74.4Confident92 Ų9296.6 Ų96.695%0.94859%0.589SS**  trans-73.392.7163.400000111.1
6G72.9Confident75.2Confident32 Ų3290.7 Ų90.733%0.3355%0.553SS.*PPolyproline II helixtrans-96.1145.7171.600000112.1G4G4-G6 PolarHBondContact O-N 3.47Å; G4-G6 VanDerWaalsContact O-N 3.13Å
7N83.8Confident75.8Confident57 Ų5794.7 Ų94.731%0.30556%0.557SS.*EExtended strand (participates in β ladder)trans-59.5146.3173.9-69.5-38.3000110.6T15 V16 E21 Y28N7-T15 CarbonylContact O-C 3.57Å; N7-T15 WeakPolarHBondContact O-CA 3.18Å; N7-V16 PolarHBondContact O-N 2.99Å; N7-E21 PolarHBondContact ND2-OE2 3.09Å; N7-E21 VanDerWaalsContact ND2-OE2 3.14Å; N7-Y28 HydrophobicContact CB-CD1 4.02Å; N7-Y28 HydrophobicContact CB-CD2 3.52Å; N7-Y28 HydrophobicContact CB-CE2 4.05Å; N7-Y28 HydrophobicContact CB-CG 3.5Å; N7-Y28 VanDerWaalsContact CB-CG 3.5Å; N7-Y28 VanDerWaalsContact CG-CD2 3.46Å; N7-Y28 VanDerWaalsContact CG-CE2 3.43Å; N7-Y28 WeakPolarHBondContact ND2-CD1 3.45Å; N7-Y28 WeakPolarHBondContact ND2-CE1 3.45Å; N7-Y28 VanDerWaalsContact ND2-CZ 3.34Å; N7-Y28 WeakPolarHBondContact OD1-CE2 3.34Å
8K86.9Confident76Confident152 Ų15299.4 Ų99.466%0.66157%0.57SS**EExtended strand (participates in β ladder)trans-99140.2178.7-69.2172.3-178.9-88.20110.6G10K8-G10 PolarHBondContact O-N 3.49Å
9C86.9Confident76.3Confident2 Ų298.4 Ų98.41%0.01457%0.574CS.*BIsolated β-bridgetrans-71.5124.6177.3-175.40000110.7C11 C12 Q13 K14 V16 Y28 H30C9-C11 PolarHBondContact O-N 3.41Å; C9-C11 PolarHBondContact SG-N 3.45Å; C9-C12 VanDerWaalsContact CB-SG 3.52Å; C9-Q13 WeakPolarHBondContact O-CA 3.15Å; C9-Q13 PolarHBondContact O-N 3.01Å; C9-K14 WeakPolarHBondContact CB-O 3.36Å; C9-K14 PolarHBondContact N-O 2.79Å; C9-V16 HydrophobicContact CB-CG2 3.53Å; C9-Y28 CarbonylContact C-O 3.6Å; C9-Y28 VanDerWaalsContact CA-O 3.25Å; C9-Y28 WeakPolarHBondContact CA-O 3.3Å; C9-H30 VanDerWaalsContact CB-CE1 3.47Å; C9-H30 WeakPolarHBondContact CB-CE1 3.46Å; C9-H30 WeakPolarHBondContact CB-ND1 3.36Å; C9-H30 PolarHBondContact SG-ND1 3.48Å
10G80.1Confident76.5Confident50 Ų5098.3 Ų98.352%0.51557%0.568SS.*THydrogen-bonded Turntrans-63.5-19.2175.700000114.3K8 Y28K8-G10 PolarHBondContact O-N 3.49Å; G10-Y28 PolarHBondContact N-O 2.88Å
11C81.9Confident76.9Confident68 Ų6895.9 Ų95.946%0.45955%0.552SS.*THydrogen-bonded Turntrans-94.5-50.5-179178.50000113C9 F29 C33C9-C11 PolarHBondContact O-N 3.41Å; C9-C11 PolarHBondContact SG-N 3.45Å; C11-F29 HydrophobicContact CB-CD1 4.14Å; C11-C33 HydrophobicContact CB-CB 3.92Å
12C84.7Confident78.8Confident41 Ų4186.8 Ų86.828%0.27751%0.508SS..THydrogen-bonded Turntrans-111-1.2-173.9740000114.1C9 K14 H30C9-C12 VanDerWaalsContact CB-SG 3.52Å; C12-K14 PolarHBondContact O-N 2.97Å; C12-H30 PolarHBondContact SG-CE1 2.78Å; C12-H30 PolarHBondContact SG-ND1 2.89Å
13Q82.9Confident80.5Confident157 Ų15785.9 Ų85.973%0.73449%0.492SS*.  trans61.21.5177.8-58.9166.332.900115.7C9C9-Q13 WeakPolarHBondContact O-CA 3.15Å; C9-Q13 PolarHBondContact O-N 3.01Å
14K87.3Confident81.4Confident145 Ų14578.7 Ų78.763%0.6346%0.455SS*.SBendtrans-74.4157172.8-60.8176.7-173.3178.10110.7C9 C12 V16C9-K14 WeakPolarHBondContact CB-O 3.36Å; C9-K14 PolarHBondContact N-O 2.79Å; C12-K14 PolarHBondContact O-N 2.97Å; K14-V16 PolarHBondContact O-N 2.93Å
15T87.8Confident82.2Confident62 Ų6282.9 Ų82.938%0.3846%0.455SS..EExtended strand (participates in β ladder)trans-63.2136173.747.60000110.3N7 H30N7-T15 CarbonylContact O-C 3.57Å; N7-T15 WeakPolarHBondContact O-CA 3.18Å; T15-H30 PolarHBondContact O-NE2 3.19Å
16V87.7Confident82.8Confident2 Ų281 Ų811%0.01244%0.435CS..EExtended strand (participates in β ladder)trans-107123.1175.5-166.20000106.1N7 C9 K14 E21N7-V16 PolarHBondContact O-N 2.99Å; C9-V16 HydrophobicContact CB-CG2 3.53Å; K14-V16 PolarHBondContact O-N 2.93Å; V16-E21 HydrophobicContact CB-CB 4.46Å; V16-E21 VanDerWaalsContact CG1-CA 3.43Å; V16-E21 HydrophobicContact CG1-CB 3.48Å; V16-E21 VanDerWaalsContact CG1-CB 3.48Å
17Y85.1Confident83.3Confident159 Ų15982.6 Ų82.662%0.62443%0.433SS*.  trans-89153.8174.3-61.8-79000109.5A19 E20 E21Y17-A19 PolarHBondContact O-N 3.47Å; Y17-E20 PolarHBondContact O-N 3.44Å; Y17-E21 PolarHBondContact O-N 2.92Å; Y17-E21 VanDerWaalsContact O-N 3.16Å
18F79.7Confident83.4Confident180 Ų18083 Ų8379%0.78943%0.43SS*.THydrogen-bonded Turntrans-51.5-29.1-177.1-165.5-97.2000114.3E20 E21F18-E20 PolarHBondContact O-N 3.35Å; F18-E21 WeakPolarHBondContact CD2-OE1 3.29Å; F18-E21 WeakPolarHBondContact CE2-OE1 3.31Å
19A81.1Confident83.5Confident79 Ų7976 Ų7665%0.65340%0.4SS*.THydrogen-bonded Turntrans-71.9-25178.600000114.5Y17 K31Y17-A19 PolarHBondContact O-N 3.47Å; A19-K31 PolarHBondContact O-NZ 3.16Å
20E80.8Confident83.5Confident96 Ų9676.8 Ų76.845%0.44940%0.403SS..THydrogen-bonded Turntrans-1195.8-174.3-64-159.6109.400113.3Y17 F18 H30 K31Y17-E20 PolarHBondContact O-N 3.44Å; F18-E20 PolarHBondContact O-N 3.35Å; E20-H30 WeakPolarHBondContact O-CA 3.32Å; E20-K31 PolarHBondContact O-N 3.45Å; E20-K31 VanDerWaalsContact O-N 3.11Å
21E84.6Confident83.7Confident49 Ų4980.3 Ų80.323%0.22941%0.405CS..EExtended strand (participates in β ladder)trans-79134.2-178.475.1-177-174.600112.9N7 V16 Y17 F18 F29N7-E21 PolarHBondContact ND2-OE2 3.09Å; N7-E21 VanDerWaalsContact ND2-OE2 3.14Å; V16-E21 HydrophobicContact CB-CB 4.46Å; V16-E21 VanDerWaalsContact CG1-CA 3.43Å; V16-E21 HydrophobicContact CG1-CB 3.48Å; V16-E21 VanDerWaalsContact CG1-CB 3.48Å; Y17-E21 PolarHBondContact O-N 2.92Å; Y17-E21 VanDerWaalsContact O-N 3.16Å; F18-E21 WeakPolarHBondContact CD2-OE1 3.29Å; F18-E21 WeakPolarHBondContact CE2-OE1 3.31Å; E21-F29 CarbonylContact C-O 3.58Å
22V86.5Confident83.8Confident18 Ų1880.8 Ų80.811%0.10941%0.409CS..EExtended strand (participates in β ladder)trans-119122.8168.3-177.90000106.6Y28 F29 K31 F34V22-Y28 CarbonylContact O-C 3.59Å; V22-Y28 WeakPolarHBondContact O-CA 3.44Å; V22-F29 PolarHBondContact N-O 2.79Å; V22-F29 PolarHBondContact O-N 3.47Å; V22-K31 HydrophobicContact CG2-CB 4.39Å; V22-K31 HydrophobicContact CG2-CG 3.66Å; V22-F34 HydrophobicContact CB-CD2 4.25Å; V22-F34 HydrophobicContact CB-CG 4.34Å; V22-F34 HydrophobicContact CG1-CD1 4.01Å; V22-F34 HydrophobicContact CG1-CD2 3.78Å; V22-F34 HydrophobicContact CG1-CE1 4.01Å; V22-F34 HydrophobicContact CG1-CE2 3.76Å; V22-F34 HydrophobicContact CG1-CG 3.9Å; V22-F34 HydrophobicContact CG1-CZ 3.86Å
23Q84.8Confident83.8Confident123 Ų12379.9 Ų79.958%0.57540%0.403SS*.EExtended strand (participates in β ladder)trans-94.5130179.6-165.3-179.924.300110.3K27 Y28Q23-K27 CarbonylContact C-O 3.55Å; Q23-K27 VanDerWaalsContact CA-O 3.28Å; Q23-K27 WeakPolarHBondContact CA-O 3.32Å; Q23-Y28 HydrophobicContact CG-CE1 4.34Å
24C79.1Confident84Confident15 Ų1572.6 Ų72.610%0.10137%0.369CS..EExtended strand (participates in β ladder)trans-133122.6163.3-170.60000109.4G26 K27 F29 F34 C50C24-G26 PolarHBondContact O-N 3.35Å; C24-G26 VanDerWaalsContact O-N 3.14Å; C24-K27 PolarHBondContact N-O 3.13Å; C24-K27 WeakPolarHBondContact O-CB 3.14Å; C24-K27 PolarHBondContact O-N 3.48Å; C24-F29 HydrophobicContact CB-CE2 4.21Å; C24-F34 HydrophobicContact CB-CE2 4.29Å; C24-C50 WeakPolarHBondContact CB-SG 3.45Å; C24-C50 WeakPolarHBondContact SG-CB 3.37Å; C24-C50 CovalentContact SG-SG 2.04Å; C24-C50 PolarHBondContact SG-SG 2.08Å
25E76Confident84Confident162 Ų16268.5 Ų68.576%0.75735%0.353SS*.THydrogen-bonded Turntrans49.544172.1-153150.697.700113.5K27 C50E25-K27 VanDerWaalsContact C-N 3.33Å; E25-K27 PolarHBondContact O-N 3.31Å; E25-C50 HydrophobicContact CB-CB 4.32Å
26G79Confident84Confident51 Ų5165.6 Ų65.653%0.52634%0.335SS..THydrogen-bonded Turntrans81.62179.300000115.7C24C24-G26 PolarHBondContact O-N 3.35Å; C24-G26 VanDerWaalsContact O-N 3.14Å
27K82.8Confident83.8Confident67 Ų6771 Ų7129%0.29136%0.362SS..EExtended strand (participates in β ladder)trans-108.9154.4176.7-63173.2-169.6177.50111.2Q23 C24 E25 F29 D53Q23-K27 CarbonylContact C-O 3.55Å; Q23-K27 VanDerWaalsContact CA-O 3.28Å; Q23-K27 WeakPolarHBondContact CA-O 3.32Å; C24-K27 PolarHBondContact N-O 3.13Å; C24-K27 WeakPolarHBondContact O-CB 3.14Å; C24-K27 PolarHBondContact O-N 3.48Å; E25-K27 VanDerWaalsContact C-N 3.33Å; E25-K27 PolarHBondContact O-N 3.31Å; K27-F29 HydrophobicContact CB-CE2 3.75Å; K27-F29 HydrophobicContact CB-CZ 4.06Å; K27-D53 WeakPolarHBondContact CE-OD1 3.33Å; K27-D53 IonicContact NZ-OD1 2.74Å; K27-D53 PolarHBondContact NZ-OD1 3.17Å; K27-D53 IonicContact NZ-OD2 2.67Å; K27-D53 PolarHBondContact NZ-OD2 3.02Å
28Y86.8Confident83.7Confident64 Ų6466.2 Ų66.225%0.25136%0.356SS..EExtended strand (participates in β ladder)trans-114140.2-175.9-53.3-89.9000110N7 C9 G10 V22 Q23N7-Y28 HydrophobicContact CB-CD1 4.02Å; N7-Y28 HydrophobicContact CB-CD2 3.52Å; N7-Y28 HydrophobicContact CB-CE2 4.05Å; N7-Y28 HydrophobicContact CB-CG 3.5Å; N7-Y28 VanDerWaalsContact CB-CG 3.5Å; N7-Y28 VanDerWaalsContact CG-CD2 3.46Å; N7-Y28 VanDerWaalsContact CG-CE2 3.43Å; N7-Y28 WeakPolarHBondContact ND2-CD1 3.45Å; N7-Y28 WeakPolarHBondContact ND2-CE1 3.45Å; N7-Y28 VanDerWaalsContact ND2-CZ 3.34Å; N7-Y28 WeakPolarHBondContact OD1-CE2 3.34Å; C9-Y28 CarbonylContact C-O 3.6Å; C9-Y28 VanDerWaalsContact CA-O 3.25Å; C9-Y28 WeakPolarHBondContact CA-O 3.3Å; G10-Y28 PolarHBondContact N-O 2.88Å; V22-Y28 CarbonylContact O-C 3.59Å; V22-Y28 WeakPolarHBondContact O-CA 3.44Å; Q23-Y28 HydrophobicContact CG-CE1 4.34Å
29F87.9Confident83.9Confident7 Ų760.6 Ų60.63%0.03134%0.338CS..EExtended strand (participates in β ladder)trans-137.5152.2178.6-58.4-88.5000109.4C11 E21 V22 C24 K27 F34 I55C11-F29 HydrophobicContact CB-CD1 4.14Å; E21-F29 CarbonylContact C-O 3.58Å; V22-F29 PolarHBondContact N-O 2.79Å; V22-F29 PolarHBondContact O-N 3.47Å; C24-F29 HydrophobicContact CB-CE2 4.21Å; K27-F29 HydrophobicContact CB-CE2 3.75Å; K27-F29 HydrophobicContact CB-CZ 4.06Å; F29-F34 HydrophobicContact CB-CD2 3.98Å; F29-F34 HydrophobicContact CD2-CD2 4.17Å; F29-F34 HydrophobicContact CD2-CE2 4.31Å; F29-F34 HydrophobicContact CG-CD2 4.16Å; F29-I55 HydrophobicContact CD1-CD1 4.47Å; F29-I55 HydrophobicContact CE1-CG2 4.18Å; F29-I55 HydrophobicContact CE2-CG2 3.95Å; F29-I55 HydrophobicContact CZ-CG2 3.67Å
30H87.8Confident84.1Confident17 Ų1764.8 Ų64.88%0.07934%0.341CS..EExtended strand (participates in β ladder)trans-70.7148.8166.3-57.495.7000110C9 C12 T15 E20 S32 C33 F34C9-H30 VanDerWaalsContact CB-CE1 3.47Å; C9-H30 WeakPolarHBondContact CB-CE1 3.46Å; C9-H30 WeakPolarHBondContact CB-ND1 3.36Å; C9-H30 PolarHBondContact SG-ND1 3.48Å; C12-H30 PolarHBondContact SG-CE1 2.78Å; C12-H30 PolarHBondContact SG-ND1 2.89Å; T15-H30 PolarHBondContact O-NE2 3.19Å; E20-H30 WeakPolarHBondContact O-CA 3.32Å; H30-S32 PolarHBondContact O-N 3.05Å; H30-S32 VanDerWaalsContact O-N 3.14Å; H30-C33 HydrophobicContact CB-CB 3.95Å; H30-C33 CarbonylContact O-C 3.49Å; H30-C33 WeakPolarHBondContact O-CA 3.48Å; H30-C33 PolarHBondContact O-N 2.8Å; H30-F34 WeakPolarHBondContact O-CB 3.37Å; H30-F34 PolarHBondContact O-N 3.42Å
31K83.4Confident84.2Confident124 Ų12467 Ų6754%0.53935%0.349SS..THydrogen-bonded Turntrans-50.4-37.2170-69.5174.8-177.8169.80113A19 E20 V22A19-K31 PolarHBondContact O-NZ 3.16Å; E20-K31 PolarHBondContact O-N 3.45Å; E20-K31 VanDerWaalsContact O-N 3.11Å; V22-K31 HydrophobicContact CG2-CB 4.39Å; V22-K31 HydrophobicContact CG2-CG 3.66Å
32S84.8Confident84.3Confident79 Ų7969.9 Ų69.955%0.55237%0.366SS*.THydrogen-bonded Turntrans-77-27.4176.956.10000113.7H30H30-S32 PolarHBondContact O-N 3.05Å; H30-S32 VanDerWaalsContact O-N 3.14Å
33C84.6Confident84.1Confident22 Ų2269.9 Ų69.915%0.14937%0.366CS..THydrogen-bonded Turntrans-90.4-4.7178.4-63.30000112.9C11 H30 L35C11-C33 HydrophobicContact CB-CB 3.92Å; H30-C33 HydrophobicContact CB-CB 3.95Å; H30-C33 CarbonylContact O-C 3.49Å; H30-C33 WeakPolarHBondContact O-CA 3.48Å; H30-C33 PolarHBondContact O-N 2.8Å; C33-L35 PolarHBondContact O-N 3.06Å
34F87.5Confident83.7Confident4 Ų467.6 Ų67.62%0.01836%0.358CS..  trans-80.666.7178.9-160.1-113.2000110.9V22 C24 F29 H30 L43 V48 I55V22-F34 HydrophobicContact CB-CD2 4.25Å; V22-F34 HydrophobicContact CB-CG 4.34Å; V22-F34 HydrophobicContact CG1-CD1 4.01Å; V22-F34 HydrophobicContact CG1-CD2 3.78Å; V22-F34 HydrophobicContact CG1-CE1 4.01Å; V22-F34 HydrophobicContact CG1-CE2 3.76Å; V22-F34 HydrophobicContact CG1-CG 3.9Å; V22-F34 HydrophobicContact CG1-CZ 3.86Å; C24-F34 HydrophobicContact CB-CE2 4.29Å; F29-F34 HydrophobicContact CB-CD2 3.98Å; F29-F34 HydrophobicContact CD2-CD2 4.17Å; F29-F34 HydrophobicContact CD2-CE2 4.31Å; F29-F34 HydrophobicContact CG-CD2 4.16Å; H30-F34 WeakPolarHBondContact O-CB 3.37Å; H30-F34 PolarHBondContact O-N 3.42Å; F34-L43 HydrophobicContact CD1-CB 3.59Å; F34-L43 VanDerWaalsContact CD1-O 3.23Å; F34-L43 WeakPolarHBondContact CD1-O 3.45Å; F34-L43 HydrophobicContact CE1-CB 3.47Å; F34-L43 VanDerWaalsContact CE1-CB 3.47Å; F34-L43 HydrophobicContact CG-CB 4.46Å; F34-L43 HydrophobicContact CZ-CB 4.29Å; F34-L43 PolarHBondContact O-N 2.67Å; F34-V48 HydrophobicContact CE1-CB 4.12Å; F34-V48 HydrophobicContact CE1-CG1 4.45Å; F34-V48 HydrophobicContact CE1-CG2 4.46Å; F34-V48 HydrophobicContact CE2-CG2 4.16Å; F34-V48 HydrophobicContact CZ-CB 3.62Å; F34-V48 HydrophobicContact CZ-CG1 3.76Å; F34-V48 HydrophobicContact CZ-CG2 3.66Å; F34-I55 HydrophobicContact CD2-CD1 3.62Å; F34-I55 HydrophobicContact CE2-CD1 4.03Å; F34-I55 HydrophobicContact CG-CD1 4.23Å
35L87Confident83.3Confident58 Ų5871.6 Ų71.630%0.30439%0.385SS..BIsolated β-bridgetrans-118.3142.9-176.5-54.8176.4000109.8C33 M37 K41 N42 I55C33-L35 PolarHBondContact O-N 3.06Å; L35-M37 PolarHBondContact O-N 3.47Å; L35-K41 CarbonylContact C-O 3.57Å; L35-K41 WeakPolarHBondContact CA-O 3.36Å; L35-N42 HydrophobicContact CD2-CB 4.02Å; L35-N42 VanDerWaalsContact CD2-ND2 3.33Å; L35-N42 WeakPolarHBondContact CD2-ND2 3.42Å; L35-N42 WeakPolarHBondContact CD2-OD1 3.21Å; L35-I55 WeakPolarHBondContact O-CD1 3.33Å; L35-I55 VanDerWaalsContact O-CG1 3.24Å; L35-I55 WeakPolarHBondContact O-CG1 3.37Å
36C87.1Confident82.9Confident1 Ų170.1 Ų70.11%0.00739%0.388CS..  trans-61.5126.5172.91780000111.2A38 C39 K40 K41 L43 C57 C60C36-A38 PolarHBondContact O-N 2.97Å; C36-A38 PolarHBondContact SG-N 2.89Å; C36-C39 WeakPolarHBondContact CB-SG 3.49Å; C36-C39 PolarHBondContact O-N 2.9Å; C36-C39 PolarHBondContact SG-SG 2.91Å; C36-K40 WeakPolarHBondContact O-CA 3.17Å; C36-K40 PolarHBondContact O-N 2.87Å; C36-K41 PolarHBondContact N-O 2.89Å; C36-L43 HydrophobicContact CB-CD1 4.06Å; C36-L43 HydrophobicContact CB-CD2 4.1Å; C36-L43 HydrophobicContact CB-CG 4.12Å; C36-C57 HydrophobicContact CB-CB 4.16Å; C36-C57 PolarHBondContact SG-N 2.98Å; C36-C60 PolarHBondContact SG-SG 3.21Å
37M83.3Confident82.5Confident115 Ų11570.6 Ų70.657%0.56738%0.381SS*.THydrogen-bonded Turntrans-61.2-30.2179.4-147.676.6-172.100112.6L35 I55 Y56L35-M37 PolarHBondContact O-N 3.47Å; M37-I55 PolarHBondContact N-O 3.42Å; M37-Y56 HydrophobicContact CB-CD1 4.45Å; M37-Y56 HydrophobicContact CB-CE1 3.98Å
38A83.4Confident82.4Confident60 Ų6069 Ų6950%0.49638%0.377SS..THydrogen-bonded Turntrans-83.2-41.9-177.700000114.2C36 Y56 C60C36-A38 PolarHBondContact O-N 2.97Å; C36-A38 PolarHBondContact SG-N 2.89Å; A38-Y56 HydrophobicContact CB-CD1 4Å; A38-Y56 HydrophobicContact CB-CE1 4.08Å; A38-C60 HydrophobicContact CB-CB 4.1Å
39C84.7Confident82.3Confident61 Ų6167 Ų6741%0.41237%0.373SS..THydrogen-bonded Turntrans-118-0.6-173.269.30000114.2C36 K41C36-C39 WeakPolarHBondContact CB-SG 3.49Å; C36-C39 PolarHBondContact O-N 2.9Å; C36-C39 PolarHBondContact SG-SG 2.91Å; C39-K41 PolarHBondContact O-N 3.13Å
40K84.2Confident81.8Confident167 Ų16767.9 Ų67.973%0.72638%0.38SS*.  trans54.715.9-179.4-51.4-169.6-173.5-162.70115C36C36-K40 WeakPolarHBondContact O-CA 3.17Å; C36-K40 PolarHBondContact O-N 2.87Å
41K83.9Confident81.4Confident143 Ų14369.6 Ų69.662%0.62239%0.388SS*.PPolyproline II helixtrans-76.1140.2174.6-170.1-175.3-66.7-171.30109.5L35 C36 C39 L43L35-K41 CarbonylContact C-O 3.57Å; L35-K41 WeakPolarHBondContact CA-O 3.36Å; C36-K41 PolarHBondContact N-O 2.89Å; C39-K41 PolarHBondContact O-N 3.13Å; K41-L43 PolarHBondContact O-N 3.09Å
42N85.6Confident80.7Confident109 Ų10969.2 Ų69.258%0.58340%0.395SS*.BIsolated β-bridgetrans-55.1127.9167.8-64.674.7000110.4L35L35-N42 HydrophobicContact CD2-CB 4.02Å; L35-N42 VanDerWaalsContact CD2-ND2 3.33Å; L35-N42 WeakPolarHBondContact CD2-ND2 3.42Å; L35-N42 WeakPolarHBondContact CD2-OD1 3.21Å
43L83.1Confident80Confident18 Ų1870.6 Ų70.69%0.09440%0.397CS..PPolyproline II helixtrans-92.5153.7172.3-64.1173.8000108.4F34 C36 K41 V48 I55 C57F34-L43 HydrophobicContact CD1-CB 3.59Å; F34-L43 VanDerWaalsContact CD1-O 3.23Å; F34-L43 WeakPolarHBondContact CD1-O 3.45Å; F34-L43 HydrophobicContact CE1-CB 3.47Å; F34-L43 VanDerWaalsContact CE1-CB 3.47Å; F34-L43 HydrophobicContact CG-CB 4.46Å; F34-L43 HydrophobicContact CZ-CB 4.29Å; F34-L43 PolarHBondContact O-N 2.67Å; C36-L43 HydrophobicContact CB-CD1 4.06Å; C36-L43 HydrophobicContact CB-CD2 4.1Å; C36-L43 HydrophobicContact CB-CG 4.12Å; K41-L43 PolarHBondContact O-N 3.09Å; L43-V48 HydrophobicContact CD1-CB 4.37Å; L43-V48 HydrophobicContact CD1-CG2 3.97Å; L43-I55 HydrophobicContact CD1-CB 4.25Å; L43-I55 HydrophobicContact CD1-CD1 4.28Å; L43-I55 HydrophobicContact CD1-CG1 4.2Å; L43-C57 VanDerWaalsContact CD2-CA 3.49Å; L43-C57 HydrophobicContact CD2-CB 3.57Å
44D76.8Confident79.6Confident76 Ų7673.1 Ų73.141%0.40641%0.406SS..  trans-108.4158.9167.859.5-95.1000108.7T46 T47 V48D44-T46 PolarHBondContact O-N 2.89Å; D44-T46 WeakPolarHBondContact OD2-CA 3.2Å; D44-T46 WeakPolarHBondContact OD2-CB 3.4Å; D44-T46 PolarHBondContact OD2-N 3.18Å; D44-T47 PolarHBondContact O-N 2.9Å; D44-T47 WeakPolarHBondContact OD1-CG2 3.41Å; D44-T47 PolarHBondContact OD1-OG1 3.02Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.29Å; D44-T47 PolarHBondContact OD2-N 3.14Å; D44-T47 PolarHBondContact OD2-OG1 2.98Å; D44-V48 PolarHBondContact O-N 3.42Å
45S69.1Low79.4Confident98 Ų9873.4 Ų73.469%0.68541%0.408SS*.THydrogen-bonded Turntrans-56.4-17.1-176.6-370000113.5
46T68.7Low79.4Confident131 Ų13171.2 Ų71.280%0.80440%0.396SS*.THydrogen-bonded Turntrans-100.4-24.3-173.7-48.50000112.7D44D44-T46 PolarHBondContact O-N 2.89Å; D44-T46 WeakPolarHBondContact OD2-CA 3.2Å; D44-T46 WeakPolarHBondContact OD2-CB 3.4Å; D44-T46 PolarHBondContact OD2-N 3.18Å
47T69.4Low79.5Confident62 Ų6272 Ų7238%0.3840%0.401SS..THydrogen-bonded Turntrans-112.48.5-173.969.30000115.3D44 K58D44-T47 PolarHBondContact O-N 2.9Å; D44-T47 WeakPolarHBondContact OD1-CG2 3.41Å; D44-T47 PolarHBondContact OD1-OG1 3.02Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.29Å; D44-T47 PolarHBondContact OD2-N 3.14Å; D44-T47 PolarHBondContact OD2-OG1 2.98Å; T47-K58 PolarHBondContact O-N 3.06Å
48V81.9Confident79.5Confident34 Ų3474.3 Ų74.321%0.20641%0.408CS..EExtended strand (participates in β ladder)trans-77.4142.5175.662.70000112.2F34 L43 D44 I55F34-V48 HydrophobicContact CE1-CB 4.12Å; F34-V48 HydrophobicContact CE1-CG1 4.45Å; F34-V48 HydrophobicContact CE1-CG2 4.46Å; F34-V48 HydrophobicContact CE2-CG2 4.16Å; F34-V48 HydrophobicContact CZ-CB 3.62Å; F34-V48 HydrophobicContact CZ-CG1 3.76Å; F34-V48 HydrophobicContact CZ-CG2 3.66Å; L43-V48 HydrophobicContact CD1-CB 4.37Å; L43-V48 HydrophobicContact CD1-CG2 3.97Å; D44-V48 PolarHBondContact O-N 3.42Å; V48-I55 HydrophobicContact CG2-CB 4.15Å; V48-I55 HydrophobicContact CG2-CG2 4.48Å
49A84.1Confident79.5Confident21 Ų2175.4 Ų75.417%0.17441%0.412CS..EExtended strand (participates in β ladder)trans-121.6123.9163.400000108.1Y56 Y61A49-Y56 PolarHBondContact N-O 3.3Å; A49-Y56 PolarHBondContact O-N 3.02Å; A49-Y61 HydrophobicContact CB-CD1 4.06Å; A49-Y61 HydrophobicContact CB-CD2 3.74Å; A49-Y61 HydrophobicContact CB-CE2 4.45Å; A49-Y61 HydrophobicContact CB-CG 3.52Å
50C78.3Confident79.4Confident26 Ų2673.2 Ų73.218%0.17640%0.397CS..EExtended strand (participates in β ladder)trans-98.3134179.7-71.70000109.1C24 E25 I55C24-C50 WeakPolarHBondContact CB-SG 3.45Å; C24-C50 WeakPolarHBondContact SG-CB 3.37Å; C24-C50 CovalentContact SG-SG 2.04Å; C24-C50 PolarHBondContact SG-SG 2.08Å; E25-C50 HydrophobicContact CB-CB 4.32Å; C50-I55 VanDerWaalsContact SG-CG2 3.59Å
51H79.1Confident79.5Confident52 Ų5269.2 Ų69.224%0.24138%0.378CS..EExtended strand (participates in β ladder)trans-137.8107.3179.7-173.6-84.6000110D53 E54 Y56 Y61 Y65H51-D53 PolarHBondContact O-N 3.42Å; H51-E54 PolarHBondContact N-O 3.3Å; H51-E54 PolarHBondContact O-N 3.03Å; H51-Y56 HydrophobicContact CB-CD2 4.19Å; H51-Y56 HydrophobicContact CB-CE2 4.21Å; H51-Y61 HydrophobicContact CB-CD2 4.36Å; H51-Y61 HydrophobicContact CB-CE2 3.91Å; H51-Y61 AromaticContact CD2-CE2 3.9Å; H51-Y65 HydrophobicContact CB-CE2 4.15Å; H51-Y65 AromaticContact CD2-CD1 3.85Å; H51-Y65 AromaticContact CD2-CE1 3.83Å; H51-Y65 AromaticContact CD2-CZ 3.98Å; H51-Y65 AromaticContact CE1-CD1 3.93Å; H51-Y65 AromaticContact CE1-CE1 3.29Å; H51-Y65 WeakPolarHBondContact CE1-CE1 3.39Å; H51-Y65 AromaticContact CE1-CZ 3.63Å; H51-Y65 AromaticContact CG-CE1 3.94Å; H51-Y65 AromaticContact CG-CE2 3.85Å; H51-Y65 AromaticContact CG-CZ 3.65Å; H51-Y65 AromaticContact ND1-CE1 3.61Å; H51-Y65 AromaticContact ND1-CZ 3.42Å; H51-Y65 PolarHBondContact ND1-OH 2.8Å; H51-Y65 AromaticContact NE2-CD1 3.54Å; H51-Y65 AromaticContact NE2-CE1 3.42Å; H51-Y65 WeakPolarHBondContact NE2-CE1 3.38Å; H51-Y65 AromaticContact NE2-CZ 3.96Å
52V69.1Low79.4Confident116 Ų11664.3 Ų64.370%0.70337%0.369SS*.THydrogen-bonded Turntrans47.141.4166-161.10000113.5
53D68.6Low79Confident109 Ų10966.7 Ų66.758%0.58337%0.374SS*.THydrogen-bonded Turntrans100.9-9-178.6-70.2-92.5000117.7K27 H51K27-D53 WeakPolarHBondContact CE-OD1 3.33Å; K27-D53 IonicContact NZ-OD1 2.74Å; K27-D53 PolarHBondContact NZ-OD1 3.17Å; K27-D53 IonicContact NZ-OD2 2.67Å; K27-D53 PolarHBondContact NZ-OD2 3.02Å; H51-D53 PolarHBondContact O-N 3.42Å
54E76.8Confident78.7Confident75 Ų7570.4 Ų70.435%0.3539%0.389SS..EExtended strand (participates in β ladder)trans-111.7145.7178.9-62.6-179.3115.900111.8H51 Y56H51-E54 PolarHBondContact N-O 3.3Å; H51-E54 PolarHBondContact O-N 3.03Å; E54-Y56 HydrophobicContact CB-CD2 4.27Å; E54-Y56 HydrophobicContact CB-CE2 3.49Å; E54-Y56 VanDerWaalsContact CB-CE2 3.49Å; E54-Y56 PolarHBondContact OE1-OH 2.84Å; E54-Y56 PolarHBondContact OE2-OH 2.81Å
55I84.4Confident78.8Confident9 Ų971 Ų715%0.04639%0.386CS..EExtended strand (participates in β ladder)trans-105.4131177.766.4175.7000110.6F29 F34 L35 M37 L43 V48 C50F29-I55 HydrophobicContact CD1-CD1 4.47Å; F29-I55 HydrophobicContact CE1-CG2 4.18Å; F29-I55 HydrophobicContact CE2-CG2 3.95Å; F29-I55 HydrophobicContact CZ-CG2 3.67Å; F34-I55 HydrophobicContact CD2-CD1 3.62Å; F34-I55 HydrophobicContact CE2-CD1 4.03Å; F34-I55 HydrophobicContact CG-CD1 4.23Å; L35-I55 WeakPolarHBondContact O-CD1 3.33Å; L35-I55 VanDerWaalsContact O-CG1 3.24Å; L35-I55 WeakPolarHBondContact O-CG1 3.37Å; M37-I55 PolarHBondContact N-O 3.42Å; L43-I55 HydrophobicContact CD1-CB 4.25Å; L43-I55 HydrophobicContact CD1-CD1 4.28Å; L43-I55 HydrophobicContact CD1-CG1 4.2Å; V48-I55 HydrophobicContact CG2-CB 4.15Å; V48-I55 HydrophobicContact CG2-CG2 4.48Å; C50-I55 VanDerWaalsContact SG-CG2 3.59Å
56Y87Confident79.2Confident13 Ų1367.1 Ų67.15%0.05136%0.361CS..EExtended strand (participates in β ladder)trans-129.3154-176.4-67.2-75.4000111.3M37 A38 A49 H51 E54 C60 Y65M37-Y56 HydrophobicContact CB-CD1 4.45Å; M37-Y56 HydrophobicContact CB-CE1 3.98Å; A38-Y56 HydrophobicContact CB-CD1 4Å; A38-Y56 HydrophobicContact CB-CE1 4.08Å; A49-Y56 PolarHBondContact N-O 3.3Å; A49-Y56 PolarHBondContact O-N 3.02Å; H51-Y56 HydrophobicContact CB-CD2 4.19Å; H51-Y56 HydrophobicContact CB-CE2 4.21Å; E54-Y56 HydrophobicContact CB-CD2 4.27Å; E54-Y56 HydrophobicContact CB-CE2 3.49Å; E54-Y56 VanDerWaalsContact CB-CE2 3.49Å; E54-Y56 PolarHBondContact OE1-OH 2.84Å; E54-Y56 PolarHBondContact OE2-OH 2.81Å; Y56-C60 HydrophobicContact CD1-CB 4.46Å; Y56-Y65 HydrophobicContact CD2-CE2 4.11Å; Y56-Y65 AromaticContact CE2-CE2 3.82Å; Y56-Y65 HydrophobicContact CE2-CE2 3.82Å
57C87.8Confident79.4Confident18 Ų1866.7 Ų66.712%0.12236%0.361CS..EExtended strand (participates in β ladder)trans-72.1146.4166.589.10000109.8C36 L43 S59 C60 Y61C36-C57 HydrophobicContact CB-CB 4.16Å; C36-C57 PolarHBondContact SG-N 2.98Å; L43-C57 VanDerWaalsContact CD2-CA 3.49Å; L43-C57 HydrophobicContact CD2-CB 3.57Å; C57-S59 PolarHBondContact O-N 3.12Å; C57-S59 VanDerWaalsContact O-N 3.11Å; C57-C60 HydrophobicContact CB-CB 4.12Å; C57-C60 WeakPolarHBondContact CB-SG 3.06Å; C57-C60 CarbonylContact O-C 3.59Å; C57-C60 WeakPolarHBondContact O-CA 3.38Å; C57-C60 VanDerWaalsContact O-CB 3.31Å; C57-C60 WeakPolarHBondContact O-CB 3.43Å; C57-C60 PolarHBondContact O-N 3.1Å; C57-C60 WeakPolarHBondContact SG-CB 3.35Å; C57-C60 PolarHBondContact SG-N 3.45Å; C57-C60 CovalentContact SG-SG 2.08Å; C57-C60 PolarHBondContact SG-SG 2.92Å; C57-Y61 WeakPolarHBondContact O-CB 3.23Å; C57-Y61 PolarHBondContact O-N 3.27Å
58K82.9Confident79Confident162 Ų16270.1 Ų70.170%0.70437%0.371SS*.Hα-helixtrans-49.6-41177.4-171.9174.2-176.2175.50113.4T47 C60 G62T47-K58 PolarHBondContact O-N 3.06Å; K58-C60 VanDerWaalsContact C-N 3.33Å; K58-C60 PolarHBondContact O-N 3.48Å; K58-G62 PolarHBondContact O-N 3.47Å
59S83.6Confident77.9Confident84 Ų8471 Ų7159%0.58739%0.386SS*.Hα-helixtrans-67.3-31.7176.3-47.90000113.4C57 K63C57-S59 PolarHBondContact O-N 3.12Å; C57-S59 VanDerWaalsContact O-N 3.11Å; S59-K63 WeakPolarHBondContact O-CD 3.33Å; S59-K63 WeakPolarHBondContact O-CG 3.18Å; S59-K63 PolarHBondContact O-N 2.97Å
60C83.6Confident76.4Confident14 Ų1481.9 Ų81.910%0.09542%0.424CS..Hα-helixtrans-79.2-43.2-179.7-51.20000109.9C36 A38 Y56 C57 K58 K63 K64C36-C60 PolarHBondContact SG-SG 3.21Å; A38-C60 HydrophobicContact CB-CB 4.1Å; Y56-C60 HydrophobicContact CD1-CB 4.46Å; C57-C60 HydrophobicContact CB-CB 4.12Å; C57-C60 WeakPolarHBondContact CB-SG 3.06Å; C57-C60 CarbonylContact O-C 3.59Å; C57-C60 WeakPolarHBondContact O-CA 3.38Å; C57-C60 VanDerWaalsContact O-CB 3.31Å; C57-C60 WeakPolarHBondContact O-CB 3.43Å; C57-C60 PolarHBondContact O-N 3.1Å; C57-C60 WeakPolarHBondContact SG-CB 3.35Å; C57-C60 PolarHBondContact SG-N 3.45Å; C57-C60 CovalentContact SG-SG 2.08Å; C57-C60 PolarHBondContact SG-SG 2.92Å; K58-C60 VanDerWaalsContact C-N 3.33Å; K58-C60 PolarHBondContact O-N 3.48Å; C60-K63 PolarHBondContact O-N 3.16Å; C60-K64 WeakPolarHBondContact O-CG 3.3Å; C60-K64 PolarHBondContact O-N 2.94Å
61Y85.7Confident75.3Confident83 Ų8383.7 Ų83.733%0.32545%0.448SS..Hα-helixtrans-60-48.3175.2-176.8-95.2000111.3A49 H51 C57 K63 K64 Y65 G66A49-Y61 HydrophobicContact CB-CD1 4.06Å; A49-Y61 HydrophobicContact CB-CD2 3.74Å; A49-Y61 HydrophobicContact CB-CE2 4.45Å; A49-Y61 HydrophobicContact CB-CG 3.52Å; H51-Y61 HydrophobicContact CB-CD2 4.36Å; H51-Y61 HydrophobicContact CB-CE2 3.91Å; H51-Y61 AromaticContact CD2-CE2 3.9Å; C57-Y61 WeakPolarHBondContact O-CB 3.23Å; C57-Y61 PolarHBondContact O-N 3.27Å; Y61-K63 VanDerWaalsContact C-N 3.26Å; Y61-K63 PolarHBondContact O-N 2.98Å; Y61-K64 PolarHBondContact O-N 2.91Å; Y61-K64 VanDerWaalsContact O-N 3.14Å; Y61-Y65 AromaticContact CD2-CD2 3.54Å; Y61-Y65 HydrophobicContact CD2-CD2 3.54Å; Y61-Y65 HydrophobicContact CD2-CE2 4.22Å; Y61-Y65 HydrophobicContact CD2-CG 4.35Å; Y61-Y65 AromaticContact CE2-CD2 3.64Å; Y61-Y65 HydrophobicContact CE2-CD2 3.64Å; Y61-Y65 HydrophobicContact CE2-CE2 4.4Å; Y61-Y65 HydrophobicContact CE2-CG 4.06Å; Y61-Y65 HydrophobicContact CG-CD2 4.27Å; Y61-Y65 PolarHBondContact O-N 3.07Å; Y61-G66 PolarHBondContact O-N 2.71Å
62G82.4Confident74Confident41 Ų4191 Ų9142%0.42348%0.479SS..Hα-helixtrans-60.9-31.517600000113.7K58 G66K58-G62 PolarHBondContact O-N 3.47Å; G62-G66 WeakPolarHBondContact O-CA 3.47Å; G62-G66 PolarHBondContact O-N 2.92Å
63K77.3Confident73Confident159 Ų15988.9 Ų88.969%0.69148%0.481SS*.Hα-helixtrans-72.5-39.2174.4-71.5170.7-172.7-173.50112.7S59 C60 Y61 K68S59-K63 WeakPolarHBondContact O-CD 3.33Å; S59-K63 WeakPolarHBondContact O-CG 3.18Å; S59-K63 PolarHBondContact O-N 2.97Å; C60-K63 PolarHBondContact O-N 3.16Å; Y61-K63 VanDerWaalsContact C-N 3.26Å; Y61-K63 PolarHBondContact O-N 2.98Å; K63-K68 WeakPolarHBondContact O-CE 3.49Å
64K75.9Confident72.1Confident96 Ų9687.9 Ų87.942%0.41750%0.496SS..Hα-helixtrans-85.7-41.4-174.2-64.9-73.2-86.7-172.30112.4C60 Y61 K68C60-K64 WeakPolarHBondContact O-CG 3.3Å; C60-K64 PolarHBondContact O-N 2.94Å; Y61-K64 PolarHBondContact O-N 2.91Å; Y61-K64 VanDerWaalsContact O-N 3.14Å; K64-K68 PolarHBondContact O-NZ 3.19Å
65Y80.5Confident70.5Confident88 Ų8887.5 Ų87.535%0.34551%0.512SS..Hα-helixtrans-122-5-171.8-53.4-77.4000113.9H51 Y56 Y61H51-Y65 HydrophobicContact CB-CE2 4.15Å; H51-Y65 AromaticContact CD2-CD1 3.85Å; H51-Y65 AromaticContact CD2-CE1 3.83Å; H51-Y65 AromaticContact CD2-CZ 3.98Å; H51-Y65 AromaticContact CE1-CD1 3.93Å; H51-Y65 AromaticContact CE1-CE1 3.29Å; H51-Y65 WeakPolarHBondContact CE1-CE1 3.39Å; H51-Y65 AromaticContact CE1-CZ 3.63Å; H51-Y65 AromaticContact CG-CE1 3.94Å; H51-Y65 AromaticContact CG-CE2 3.85Å; H51-Y65 AromaticContact CG-CZ 3.65Å; H51-Y65 AromaticContact ND1-CE1 3.61Å; H51-Y65 AromaticContact ND1-CZ 3.42Å; H51-Y65 PolarHBondContact ND1-OH 2.8Å; H51-Y65 AromaticContact NE2-CD1 3.54Å; H51-Y65 AromaticContact NE2-CE1 3.42Å; H51-Y65 WeakPolarHBondContact NE2-CE1 3.38Å; H51-Y65 AromaticContact NE2-CZ 3.96Å; Y56-Y65 HydrophobicContact CD2-CE2 4.11Å; Y56-Y65 AromaticContact CE2-CE2 3.82Å; Y56-Y65 HydrophobicContact CE2-CE2 3.82Å; Y61-Y65 AromaticContact CD2-CD2 3.54Å; Y61-Y65 HydrophobicContact CD2-CD2 3.54Å; Y61-Y65 HydrophobicContact CD2-CE2 4.22Å; Y61-Y65 HydrophobicContact CD2-CG 4.35Å; Y61-Y65 AromaticContact CE2-CD2 3.64Å; Y61-Y65 HydrophobicContact CE2-CD2 3.64Å; Y61-Y65 HydrophobicContact CE2-CE2 4.4Å; Y61-Y65 HydrophobicContact CE2-CG 4.06Å; Y61-Y65 HydrophobicContact CG-CD2 4.27Å; Y61-Y65 PolarHBondContact O-N 3.07Å
66G76.7Confident68.8Low16 Ų1692.6 Ų92.617%0.16556%0.556CS.*SBendtrans-65.9161.6171.200000111.8Y61 G62 K68Y61-G66 PolarHBondContact O-N 2.71Å; G62-G66 WeakPolarHBondContact O-CA 3.47Å; G62-G66 PolarHBondContact O-N 2.92Å; G66-K68 PolarHBondContact O-N 3.23Å
67P71.8Confident66.9Low123 Ų12395.3 Ų95.380%0.79959%0.588SS**  trans-56.3113.2-179.223.4-33.3000110.3
68K62.9Low65.2Low134 Ų134100.4 Ų100.458%0.58362%0.619SS**  trans-89.4106.1175.8-82.7154.9171.4168.60108.2K63 K64 G66K63-K68 WeakPolarHBondContact O-CE 3.49Å; K64-K68 PolarHBondContact O-NZ 3.19Å; G66-K68 PolarHBondContact O-N 3.23Å
69G57Low63.4Low51 Ų51100 Ų10053%0.52662%0.623SS.*  trans-155.6153.8179.100000111.9G71G69-G71 PolarHBondContact O-N 3.48Å
70Y53.2Low62Low250 Ų250101.6 Ų101.698%0.9863%0.634SS**THydrogen-bonded Turntrans-73.3110.2169.7-175-94.4000108.2
71G54.8Low61Low65 Ų65108.5 Ų108.567%0.6767%0.667SS**THydrogen-bonded Turntrans112.219.6167.500000118.6G69 G73G69-G71 PolarHBondContact O-N 3.48Å; G71-G73 PolarHBondContact O-N 2.64Å
72F51.6Low59.5Low205 Ų205110.9 Ų110.990%0.89969%0.686SS**  trans-82.165.7158.5-104.6-88.9000110.6
73G49.7Very low58.3Low72 Ų72112.4 Ų112.474%0.74269%0.687SS**  trans-92.7100.8168.400000109.7G71G71-G73 PolarHBondContact O-N 2.64Å
74G48.4Very low57.3Low87 Ų87107.8 Ų107.890%0.89768%0.684SS**SBendtrans-1146116100000109.6
75G43.3Very low56.2Low67 Ų67107.7 Ų107.769%0.69170%0.701SS**SBendtrans125.5126.9172.400000114.3G77G75-G77 PolarHBondContact O-N 2.93Å
76A49.8Very low54.7Low117 Ų117112.1 Ų112.197%0.96773%0.725SS**  trans-59.9117-177.200000112.7
77G46.6Very low53.4Low69 Ų69118 Ų11871%0.71175%0.752SS**  trans176.894.7174.300000110.4G75G75-G77 PolarHBondContact O-N 2.93Å
78T52.7Low52.3Low126 Ų126115.6 Ų115.677%0.77375%0.749SS**  trans-49.4142.117561.30000110.2
79L45.1Very low51.9Low154 Ų154115.6 Ų115.681%0.80675%0.754SS**  -178.6148.768.5-73.4166.7000111.3
80S53.6Low51.6Low116 Ų116124 Ų12481%0.81177%0.77SS**  trans70112.9146.4-70.90000121.7
81M63.3Low51.5Low159 Ų159118.1 Ų118.178%0.78376%0.762SS**  trans-71.7135.9155.1-65-83.313900110.5
82D54.1Low51.5Low134 Ų134124 Ų12472%0.71777%0.772SS**  trans-162.2118.4147.6-173.5-88.2000104.5
83T56.3Low51.4Low73 Ų73122.7 Ų122.745%0.44877%0.769SS.*  cis-155125.243.1-15.30000107.2A85T83-A85 PolarHBondContact O-N 2.93Å
84G55.8Low51.7Low61 Ų61128.5 Ų128.563%0.62978%0.776SS**  trans-76.856.5176.900000113.2H86G84-H86 PolarHBondContact O-N 3.1Å; G84-H86 VanDerWaalsContact O-N 3.12Å
85A52.4Low51.7Low95 Ų95128.2 Ų128.279%0.78577%0.766SS**THydrogen-bonded Turntrans-66.6-11-173.100000115.3T83T83-A85 PolarHBondContact O-N 2.93Å
86H50.1Low51.7Low181 Ų181129.5 Ų129.584%0.83877%0.77SS**THydrogen-bonded Turntrans-95.2-5.1-175.1-166.9-102.5000114.7G84G84-H86 PolarHBondContact O-N 3.1Å; G84-H86 VanDerWaalsContact O-N 3.12Å
87L50.1Low52Low140 Ų140132.4 Ų132.473%0.73376%0.763SS**SBendtrans-104.515.5-177-62.3179.7000114.3I89L87-I89 PolarHBondContact O-N 2.96Å; L87-I89 VanDerWaalsContact O-N 3.14Å
88G47.2Very low52.2Low71 Ų71139.5 Ų139.573%0.73277%0.768SS**  trans67.813.6171.400000115.8R90G88-R90 PolarHBondContact O-N 2.64Å; G88-R90 VanDerWaalsContact O-N 3.12Å
89I54.3Low52Low135 Ų135138.8 Ų138.869%0.69277%0.766SS**  trans-77102.1175.8-50.8167.4000107.4L87 P91L87-I89 PolarHBondContact O-N 2.96Å; L87-I89 VanDerWaalsContact O-N 3.14Å; I89-P91 WeakPolarHBondContact O-CD 3.44Å
90R50.9Low52.5Low228 Ų228137.3 Ų137.386%0.8676%0.763SS**PPolyproline II helixtrans-63.9121172.2-65.7173.667.7-1760.6108.2G88 E92G88-R90 PolarHBondContact O-N 2.64Å; G88-R90 VanDerWaalsContact O-N 3.12Å; R90-E92 PolarHBondContact O-N 3.5Å
91P51.3Low53.1Low126 Ų126138.6 Ų138.682%0.81876%0.761SS**PPolyproline II helixtrans-68.6118.1164.2-6.322.8000106.9I89 E93I89-P91 WeakPolarHBondContact O-CD 3.44Å; P91-E93 PolarHBondContact O-N 3.11Å
92E54.8Low52.7Low188 Ų188136.4 Ų136.488%0.87975%0.752SS**PPolyproline II helixtrans-64.5131.3164-171.9142.170.400108R90 Q94R90-E92 PolarHBondContact O-N 3.5Å; E92-Q94 PolarHBondContact O-N 2.73Å
93E49.2Very low53Low178 Ų178135.6 Ų135.683%0.83275%0.754SS**  trans-52.499-172.5-179110.650.200111.6P91 A95P91-E93 PolarHBondContact O-N 3.11Å; E93-A95 VanDerWaalsContact C-N 3.3Å; E93-A95 PolarHBondContact O-N 2.9Å
94Q55.7Low52.8Low193 Ų193136.7 Ų136.790%0.90276%0.758SS**  trans-74.395.7158.6-77.4-172.7-75.800107.4E92E92-Q94 PolarHBondContact O-N 2.73Å
95A49.3Very low52.8Low81 Ų81138.9 Ų138.967%0.66977%0.77SS**  trans-39.8140.1174.200000111.8E93 H97E93-A95 VanDerWaalsContact C-N 3.3Å; E93-A95 PolarHBondContact O-N 2.9Å; A95-H97 PolarHBondContact O-N 3.14Å
96A44Very low52.7Low94 Ų94138.9 Ų138.978%0.77776%0.764SS**  trans-40.1133.4178.100000112.3R98A96-R98 PolarHBondContact O-N 3.14Å
97H55.5Low53Low179 Ų179140.2 Ų140.283%0.82977%0.767SS**  trans-63.887.8169.6-165-65.9000109A95 P99A95-H97 PolarHBondContact O-N 3.14Å; H97-P99 WeakPolarHBondContact O-CD 3.45Å
98R50.3Low53.2Low218 Ų218140.8 Ų140.882%0.82377%0.77SS**  trans-63.2122.9167.5-176.4179.7-179.3-148.30.7107.2A96 T100A96-R98 PolarHBondContact O-N 3.14Å; R98-T100 PolarHBondContact O-N 2.86Å
99P48.6Very low53.3Low110 Ų110142.1 Ų142.171%0.71478%0.775SS**  trans-64.4111.8171.625.7-29.2000107.4H97 N101H97-P99 WeakPolarHBondContact O-CD 3.45Å; P99-N101 VanDerWaalsContact C-N 3.33Å; P99-N101 PolarHBondContact O-N 2.79Å
100T55Low53.4Low124 Ų124140.3 Ų140.376%0.76177%0.77SS**  trans-74.693.4167-177.80000107.4R98 N102R98-T100 PolarHBondContact O-N 2.86Å; T100-N102 VanDerWaalsContact C-N 3.32Å; T100-N102 PolarHBondContact O-N 2.92Å
101N67.3Low53.2Low142 Ų142138.8 Ų138.876%0.75977%0.77SS**  trans-71.898.7155.6167.5-1.3000105.9P99P99-N101 VanDerWaalsContact C-N 3.33Å; P99-N101 PolarHBondContact O-N 2.79Å
102N55.4Low53.1Low113 Ų113142.1 Ų142.160%0.60477%0.772SS**  trans-107.5116.6162-170.534.9000107.7T100 N104T100-N102 VanDerWaalsContact C-N 3.32Å; T100-N102 PolarHBondContact O-N 2.92Å; N102-N104 WeakPolarHBondContact ND2-CB 3.41Å; N102-N104 PolarHBondContact O-N 2.92Å
103P59.7Low52.9Low117 Ų117135.8 Ų135.876%0.7676%0.756SS**  trans-81.469.5173.434.9-30.7000107.7
104N52.7Low53.3Low96 Ų96132.3 Ų132.351%0.51375%0.752SS.*  trans-114.799.9168.4-177.5-16.9000108.4N102 S106N102-N104 WeakPolarHBondContact ND2-CB 3.41Å; N102-N104 PolarHBondContact O-N 2.92Å; N104-S106 VanDerWaalsContact C-N 3.34Å; N104-S106 PolarHBondContact O-N 3.33Å; N104-S106 WeakPolarHBondContact OD1-CB 3.38Å; N104-S106 PolarHBondContact OD1-N 2.88Å; N104-S106 PolarHBondContact OD1-OG 2.92Å
105A55.7Low53.7Low108 Ų108126.8 Ų126.889%0.89374%0.735SS**  trans-70.990.816400000108.9
106S49Very low55.1Low94 Ų94125.6 Ų125.666%0.65772%0.717SS**  trans-124116.1168.2-72.80000110.7N104N104-S106 VanDerWaalsContact C-N 3.34Å; N104-S106 PolarHBondContact O-N 3.33Å; N104-S106 WeakPolarHBondContact OD1-CB 3.38Å; N104-S106 PolarHBondContact OD1-N 2.88Å; N104-S106 PolarHBondContact OD1-OG 2.92Å
107K57Low56.9Low209 Ų209124.9 Ų124.991%0.90970%0.703SS**  trans-47.1152-177.7-75.5162.7169.2171.30114.8
108L54.6Low58.3Low152 Ų152116.4 Ų116.480%0.79666%0.663SS**  trans90.968.8156.4-156.965.3000117.1T110L108-T110 VanDerWaalsContact C-N 3.29Å; L108-T110 WeakPolarHBondContact CD1-OG1 3.37Å; L108-T110 WeakPolarHBondContact CG-OG1 3.18Å; L108-T110 PolarHBondContact O-N 2.04Å; L108-T110 VanDerWaalsContact O-N 3.13Å
109A48.3Very low59.8Low99 Ų99109.3 Ų109.382%0.81865%0.646SS**  trans-76.779.8155.200000109.9K111A109-K111 PolarHBondContact O-N 2.83Å
110T58.2Low61.3Low98 Ų98109.4 Ų109.460%0.60163%0.632SS**  trans-7972.7159.7-46.50000107.8L108 F112L108-T110 VanDerWaalsContact C-N 3.29Å; L108-T110 WeakPolarHBondContact CD1-OG1 3.37Å; L108-T110 WeakPolarHBondContact CG-OG1 3.18Å; L108-T110 PolarHBondContact O-N 2.04Å; L108-T110 VanDerWaalsContact O-N 3.13Å; T110-F112 HydrophobicContact CG2-CD2 4.1Å; T110-F112 HydrophobicContact CG2-CE2 4.31Å
111K45.7Very low62.7Low195 Ų195105.6 Ų105.685%0.84861%0.61SS**  trans-99.494.7166.6-89.8179.5163.7178.60107.5A109 G113A109-K111 PolarHBondContact O-N 2.83Å; K111-G113 PolarHBondContact O-N 3.28Å
112F49.6Very low63.2Low197 Ų197102.7 Ų102.786%0.86461%0.606SS**  trans-62.969.4153.6-89.1-95.2000108.4T110 S114T110-F112 HydrophobicContact CG2-CD2 4.1Å; T110-F112 HydrophobicContact CG2-CE2 4.31Å; F112-S114 VanDerWaalsContact C-N 3.32Å; F112-S114 PolarHBondContact O-N 3.19Å; F112-S114 VanDerWaalsContact O-N 3.16Å
113G51.2Low64.4Low54 Ų54104.2 Ų104.256%0.55761%0.607SS**  trans-73.397.6157.400000105.1K111 S115K111-G113 PolarHBondContact O-N 3.28Å; G113-S115 PolarHBondContact O-N 2.65Å; G113-S115 PolarHBondContact O-OG 3.29Å
114S56.4Low65.5Low105 Ų105100.4 Ų100.473%0.73459%0.586SS**  trans-63.377.8175.8-172.60000108.8F112 D116F112-S114 VanDerWaalsContact C-N 3.32Å; F112-S114 PolarHBondContact O-N 3.19Å; F112-S114 VanDerWaalsContact O-N 3.16Å; S114-D116 PolarHBondContact O-N 3.36Å
115S65.3Low66.9Low77 Ų7796.3 Ų96.354%0.53856%0.564SS.*  trans-70.1105.2162.9-47.30000103.1G113 V117G113-S115 PolarHBondContact O-N 2.65Å; G113-S115 PolarHBondContact O-OG 3.29Å; S115-V117 WeakPolarHBondContact O-CG2 3.47Å; S115-V117 PolarHBondContact O-N 3.13Å
116D77.4Confident68.1Low57 Ų5799.2 Ų99.231%0.30555%0.553SS.*  trans-47.6109.6171.8-78.6-60.4000108.9S114 V125 S137S114-D116 PolarHBondContact O-N 3.36Å; D116-V125 HydrophobicContact CB-CB 4.21Å; D116-V125 WeakPolarHBondContact O-CA 3.45Å; D116-V125 VanDerWaalsContact O-CB 3.3Å; D116-V125 WeakPolarHBondContact O-CB 3.33Å; D116-V125 PolarHBondContact O-N 3.48Å; D116-S137 VanDerWaalsContact CB-CB 3.45Å; D116-S137 WeakPolarHBondContact OD1-CB 3.12Å; D116-S137 PolarHBondContact OD1-OG 3.31Å
117V82.8Confident69.3Low79 Ų7999.2 Ų99.248%0.47955%0.553SS.*BIsolated β-bridgetrans-99.4133.1-177.6-175.30000109.1S115 P119S115-V117 WeakPolarHBondContact O-CG2 3.47Å; S115-V117 PolarHBondContact O-N 3.13Å; V117-P119 WeakPolarHBondContact O-CD 3.47Å
118C85Confident70.3Confident0 Ų093.5 Ų93.50%054%0.544CS..  trans-75.5121.3173.7-178.30000110R120 C121 A122 K123 V125 S137 H139C118-R120 PolarHBondContact O-N 2.95Å; C118-C121 VanDerWaalsContact CB-SG 3.57Å; C118-C121 PolarHBondContact O-N 2.86Å; C118-A122 WeakPolarHBondContact O-CA 3.5Å; C118-A122 PolarHBondContact O-N 3.26Å; C118-K123 PolarHBondContact N-O 3.32Å; C118-V125 HydrophobicContact CB-CG2 3.55Å; C118-S137 WeakPolarHBondContact CA-O 3.2Å; C118-H139 VanDerWaalsContact CB-CE1 3.45Å; C118-H139 WeakPolarHBondContact CB-CE1 3.13Å; C118-H139 VanDerWaalsContact CB-ND1 3.29Å; C118-H139 WeakPolarHBondContact CB-ND1 3.38Å
119P81.1Confident71.3Confident70 Ų7090.5 Ų90.546%0.45553%0.526SS..THydrogen-bonded Turntrans-66.2-18.9-179.725.9-34.9000113.3V117 W138V117-P119 WeakPolarHBondContact O-CD 3.47Å; P119-W138 HydrophobicContact CB-CH2 4.5Å; P119-W138 HydrophobicContact CG-CD2 4.07Å; P119-W138 HydrophobicContact CG-CE3 4.12Å; P119-W138 HydrophobicContact CG-CH2 3.49Å; P119-W138 VanDerWaalsContact CG-CH2 3.49Å; P119-W138 HydrophobicContact CG-CZ2 3.42Å; P119-W138 VanDerWaalsContact CG-CZ2 3.42Å; P119-W138 HydrophobicContact CG-CZ3 3.86Å
120R80.4Confident72.7Confident111 Ų11190.4 Ų90.442%0.41951%0.508SS..THydrogen-bonded Turntrans-79.1-40.8179.3-169.8174.4-66.9-119.11.7113.8C118 W138 C142 R144C118-R120 PolarHBondContact O-N 2.95Å; R120-W138 HydrophobicContact CB-CE3 4.25Å; R120-W138 HydrophobicContact CB-CZ3 3.89Å; R120-C142 HydrophobicContact CB-CB 4.31Å; R120-C142 PolarHBondContact NE-O 2.08Å; R120-C142 VanDerWaalsContact NE-O 3.09Å; R120-R144 PolarHBondContact NH2-O 2.99Å
121C83.3Confident73.8Confident44 Ų4486.5 Ų86.530%0.29748%0.483SS..THydrogen-bonded Turntrans-115.5-2.3-17468.50000113C118 K123 H139C118-C121 VanDerWaalsContact CB-SG 3.57Å; C118-C121 PolarHBondContact O-N 2.86Å; C121-K123 PolarHBondContact O-N 3.36Å; C121-H139 PolarHBondContact SG-CE1 2.8Å; C121-H139 PolarHBondContact SG-ND1 2.83Å
122A79.1Confident75.4Confident82 Ų8282.5 Ų82.568%0.67847%0.471SS*.  trans53.618.7-176.300000114.4C118C118-A122 WeakPolarHBondContact O-CA 3.5Å; C118-A122 PolarHBondContact O-N 3.26Å
123K80.4Confident76.5Confident144 Ų14473.5 Ų73.563%0.62643%0.433SS*.  trans-97.3151.2177.6-65.5174.1-172.3177.10110.5C118 C121 V125C118-K123 PolarHBondContact N-O 3.32Å; C121-K123 PolarHBondContact O-N 3.36Å; K123-V125 PolarHBondContact O-N 2.99Å
124A82.2Confident77.3Confident38 Ų3872 Ų7231%0.31442%0.418SS..BIsolated β-bridgetrans-60.1135171.800000110.8Y126 H139A124-Y126 HydrophobicContact CB-CE2 4.47Å; A124-H139 PolarHBondContact O-NE2 2.82Å
125V81.4Confident78.2Confident9 Ų971.1 Ų71.16%0.05543%0.425CS..  trans-98.5110.7176.4-1750000107D116 C118 K123 K130 W138D116-V125 HydrophobicContact CB-CB 4.21Å; D116-V125 WeakPolarHBondContact O-CA 3.45Å; D116-V125 VanDerWaalsContact O-CB 3.3Å; D116-V125 WeakPolarHBondContact O-CB 3.33Å; D116-V125 PolarHBondContact O-N 3.48Å; C118-V125 HydrophobicContact CB-CG2 3.55Å; K123-V125 PolarHBondContact O-N 2.99Å; V125-K130 HydrophobicContact CG1-CB 3.54Å; V125-W138 WeakPolarHBondContact CG1-O 3.39Å
126Y80.9Confident78.8Confident170 Ų17071.5 Ų71.567%0.66742%0.421SS*.  trans-80.2153.9174.8-67.5-82.2000110.6A124 A128 E129 K130A124-Y126 HydrophobicContact CB-CE2 4.47Å; Y126-A128 PolarHBondContact O-N 2.9Å; Y126-E129 PolarHBondContact O-N 2.89Å; Y126-K130 PolarHBondContact O-N 3.47Å; Y126-K130 VanDerWaalsContact O-N 3.1Å
127S74.7Confident79.1Confident94 Ų9469.2 Ų69.266%0.65741%0.41SS*.THydrogen-bonded Turntrans-52.4-24.1-177.9-60.70000115.3
128A77.9Confident79.3Confident88 Ų8865.8 Ų65.873%0.72739%0.388SS*.THydrogen-bonded Turntrans-71.6-31177.300000113.5Y126Y126-A128 PolarHBondContact O-N 2.9Å
129E75.5Confident79.3Confident89 Ų8966.5 Ų66.542%0.41639%0.392SS..THydrogen-bonded Turntrans-1141.1-175-64.3-171.896.800113.1Y126 V131 H139 K140Y126-E129 PolarHBondContact O-N 2.89Å; E129-V131 PolarHBondContact O-N 3.43Å; E129-H139 CarbonylContact O-C 3.52Å; E129-H139 WeakPolarHBondContact O-CA 3.42Å; E129-K140 PolarHBondContact O-N 3.11Å
130K79.1Confident79.3Confident98 Ų9869.8 Ų69.843%0.42640%0.399SS..EExtended strand (participates in β ladder)trans-67.3128.4-176.978.3177.2177.5-178.20112.3V125 Y126V125-K130 HydrophobicContact CG1-CB 3.54Å; Y126-K130 PolarHBondContact O-N 3.47Å; Y126-K130 VanDerWaalsContact O-N 3.1Å
131V80.4Confident79.3Confident15 Ų1567.4 Ų67.49%0.09140%0.399CS..EExtended strand (participates in β ladder)trans-126.1127.7167-122.50000107.8E129 W138 K140 F143 S154E129-V131 PolarHBondContact O-N 3.43Å; V131-W138 WeakPolarHBondContact CG2-O 3.47Å; V131-W138 PolarHBondContact N-O 3.49Å; V131-W138 PolarHBondContact O-N 2.96Å; V131-K140 HydrophobicContact CG2-CB 4.35Å; V131-K140 HydrophobicContact CG2-CG 3.88Å; V131-K140 VanDerWaalsContact CG2-N 3.35Å; V131-F143 HydrophobicContact CB-CG 4.42Å; V131-F143 HydrophobicContact CG2-CB 4.06Å; V131-F143 HydrophobicContact CG2-CG 4.33Å; V131-S154 WeakPolarHBondContact CG1-OG 3.28Å
132L79.9Confident79.4Confident112 Ų11266.3 Ų66.359%0.58639%0.392SS*.EExtended strand (participates in β ladder)trans-88.8131176.6-58.6176.7000108.7S137L132-S137 WeakPolarHBondContact CD2-OG 3.38Å
133G72Confident79.6Confident7 Ų762.5 Ų62.57%0.07236%0.36CS..EExtended strand (participates in β ladder)trans-163.6130176.200000111.8G135 N136 W138G133-G135 VanDerWaalsContact C-N 3.34Å; G133-G135 PolarHBondContact O-N 3.14Å; G133-N136 PolarHBondContact N-O 3.48Å; G133-N136 PolarHBondContact O-N 2.95Å; G133-W138 PolarHBondContact O-NE1 3.25Å
134G68.9Low79.9Confident22 Ų2262 Ų6223%0.22735%0.354CS..THydrogen-bonded Turntrans59.441.3-177.700000113.7N136 D159G134-N136 PolarHBondContact O-N 3.19Å; G134-N136 VanDerWaalsContact O-N 3.1Å; G134-N136 PolarHBondContact O-ND2 2.77Å; G134-N136 VanDerWaalsContact O-ND2 3.12Å; G134-D159 VanDerWaalsContact CA-CG 3.5Å; G134-D159 WeakPolarHBondContact CA-OD1 3.41Å
135G74.1Confident80.1Confident87 Ų8760.2 Ų60.290%0.89734%0.34SS*.THydrogen-bonded Turntrans71.8-0.2-179.700000115.9G133G133-G135 VanDerWaalsContact C-N 3.34Å; G133-G135 PolarHBondContact O-N 3.14Å
136N78.9Confident80.3Confident85 Ų8562.3 Ų62.346%0.45536%0.355SS..EExtended strand (participates in β ladder)trans-121.8161.9-178.1-68.7-75000112.2G133 G134 W138G133-N136 PolarHBondContact N-O 3.48Å; G133-N136 PolarHBondContact O-N 2.95Å; G134-N136 PolarHBondContact O-N 3.19Å; G134-N136 VanDerWaalsContact O-N 3.1Å; G134-N136 PolarHBondContact O-ND2 2.77Å; G134-N136 VanDerWaalsContact O-ND2 3.12Å; N136-W138 VanDerWaalsContact O-CD1 3.25Å
137S83.9Confident80.4Confident9 Ų960.6 Ų60.66%0.06335%0.35CS..EExtended strand (participates in β ladder)trans-99128.9179.8-63.30000111D116 C118 L132D116-S137 VanDerWaalsContact CB-CB 3.45Å; D116-S137 WeakPolarHBondContact OD1-CB 3.12Å; D116-S137 PolarHBondContact OD1-OG 3.31Å; C118-S137 WeakPolarHBondContact CA-O 3.2Å; L132-S137 WeakPolarHBondContact CD2-OG 3.38Å
138W85.8Confident80.9Confident8 Ų859.2 Ų59.23%0.0334%0.34CS..EExtended strand (participates in β ladder)trans-126.3158.5-176.5-57.175.9000110.4P119 R120 V125 V131 G133 N136 F143 I164P119-W138 HydrophobicContact CB-CH2 4.5Å; P119-W138 HydrophobicContact CG-CD2 4.07Å; P119-W138 HydrophobicContact CG-CE3 4.12Å; P119-W138 HydrophobicContact CG-CH2 3.49Å; P119-W138 VanDerWaalsContact CG-CH2 3.49Å; P119-W138 HydrophobicContact CG-CZ2 3.42Å; P119-W138 VanDerWaalsContact CG-CZ2 3.42Å; P119-W138 HydrophobicContact CG-CZ3 3.86Å; R120-W138 HydrophobicContact CB-CE3 4.25Å; R120-W138 HydrophobicContact CB-CZ3 3.89Å; V125-W138 WeakPolarHBondContact CG1-O 3.39Å; V131-W138 WeakPolarHBondContact CG2-O 3.47Å; V131-W138 PolarHBondContact N-O 3.49Å; V131-W138 PolarHBondContact O-N 2.96Å; G133-W138 PolarHBondContact O-NE1 3.25Å; N136-W138 VanDerWaalsContact O-CD1 3.25Å; W138-F143 HydrophobicContact CB-CB 4.35Å; W138-F143 HydrophobicContact CB-CD2 3.8Å; W138-F143 HydrophobicContact CD2-CD2 4.35Å; W138-F143 AromaticContact CG-CD2 3.82Å; W138-F143 HydrophobicContact CG-CD2 3.82Å; W138-F143 HydrophobicContact CG-CE2 4.39Å; W138-I164 HydrophobicContact CD2-CD1 4.46Å; W138-I164 HydrophobicContact CE3-CD1 4.16Å; W138-I164 HydrophobicContact CH2-CG1 4.08Å; W138-I164 HydrophobicContact CH2-CG2 3.9Å; W138-I164 HydrophobicContact CZ2-CG1 4.49Å; W138-I164 HydrophobicContact CZ2-CG2 3.52Å; W138-I164 HydrophobicContact CZ3-CD1 4.19Å; W138-I164 HydrophobicContact CZ3-CG1 4.08Å
139H86.1Confident81Confident14 Ų1457.1 Ų57.17%0.06533%0.327CS..EExtended strand (participates in β ladder)trans-78.7147.7165.2-55.397000110.8C118 C121 A124 E129 S141 C142 F143C118-H139 VanDerWaalsContact CB-CE1 3.45Å; C118-H139 WeakPolarHBondContact CB-CE1 3.13Å; C118-H139 VanDerWaalsContact CB-ND1 3.29Å; C118-H139 WeakPolarHBondContact CB-ND1 3.38Å; C121-H139 PolarHBondContact SG-CE1 2.8Å; C121-H139 PolarHBondContact SG-ND1 2.83Å; A124-H139 PolarHBondContact O-NE2 2.82Å; E129-H139 CarbonylContact O-C 3.52Å; E129-H139 WeakPolarHBondContact O-CA 3.42Å; H139-S141 PolarHBondContact O-N 3.26Å; H139-S141 VanDerWaalsContact O-N 3.13Å; H139-C142 HydrophobicContact CB-CB 4.03Å; H139-C142 CarbonylContact O-C 3.6Å; H139-C142 PolarHBondContact O-N 3.36Å; H139-F143 WeakPolarHBondContact O-CB 3.25Å; H139-F143 PolarHBondContact O-N 3.06Å
140K80Confident81.3Confident139 Ų13960.4 Ų60.460%0.60434%0.34SS*.THydrogen-bonded Turntrans-49.8-37.4170.2-72.2171-176.6-100.50113E129 V131E129-K140 PolarHBondContact O-N 3.11Å; V131-K140 HydrophobicContact CG2-CB 4.35Å; V131-K140 HydrophobicContact CG2-CG 3.88Å; V131-K140 VanDerWaalsContact CG2-N 3.35Å
141S81.8Confident81.3Confident61 Ų6158.4 Ų58.443%0.42735%0.348SS..THydrogen-bonded Turntrans-72.2-33.9176.656.40000113.4H139 R144H139-S141 PolarHBondContact O-N 3.26Å; H139-S141 VanDerWaalsContact O-N 3.13Å; S141-R144 WeakPolarHBondContact O-CD 3.48Å; S141-R144 PolarHBondContact O-NE 3.43Å
142C83.4Confident81.1Confident21 Ų2159 Ų5914%0.14235%0.351CS..THydrogen-bonded Turntrans-87.4-15.3-177.7-64.90000113.3R120 H139 R144R120-C142 HydrophobicContact CB-CB 4.31Å; R120-C142 PolarHBondContact NE-O 2.08Å; R120-C142 VanDerWaalsContact NE-O 3.09Å; H139-C142 HydrophobicContact CB-CB 4.03Å; H139-C142 CarbonylContact O-C 3.6Å; H139-C142 PolarHBondContact O-N 3.36Å; C142-R144 PolarHBondContact O-N 3.16Å
143F84.6Confident80.6Confident2 Ų261.2 Ų61.21%0.00936%0.358CS..  trans-79.167.6-178-161-107.3000111.8V131 W138 H139 L152 V157 I164V131-F143 HydrophobicContact CB-CG 4.42Å; V131-F143 HydrophobicContact CG2-CB 4.06Å; V131-F143 HydrophobicContact CG2-CG 4.33Å; W138-F143 HydrophobicContact CB-CB 4.35Å; W138-F143 HydrophobicContact CB-CD2 3.8Å; W138-F143 HydrophobicContact CD2-CD2 4.35Å; W138-F143 AromaticContact CG-CD2 3.82Å; W138-F143 HydrophobicContact CG-CD2 3.82Å; W138-F143 HydrophobicContact CG-CE2 4.39Å; H139-F143 WeakPolarHBondContact O-CB 3.25Å; H139-F143 PolarHBondContact O-N 3.06Å; F143-L152 HydrophobicContact CD1-CB 3.67Å; F143-L152 WeakPolarHBondContact CD1-O 3.3Å; F143-L152 HydrophobicContact CE1-CB 3.45Å; F143-L152 VanDerWaalsContact CE1-CB 3.45Å; F143-L152 HydrophobicContact CZ-CB 4.33Å; F143-L152 PolarHBondContact O-N 3.01Å; F143-V157 HydrophobicContact CE1-CB 4.36Å; F143-V157 HydrophobicContact CE2-CB 4.29Å; F143-V157 HydrophobicContact CE2-CG1 4.1Å; F143-V157 HydrophobicContact CE2-CG2 4.22Å; F143-V157 HydrophobicContact CZ-CB 3.6Å; F143-V157 HydrophobicContact CZ-CG1 3.57Å; F143-V157 HydrophobicContact CZ-CG2 3.96Å; F143-I164 HydrophobicContact CD2-CD1 3.72Å; F143-I164 HydrophobicContact CE2-CD1 4.15Å; F143-I164 HydrophobicContact CG-CD1 4.17Å
144R86.3Confident80.2Confident133 Ų13363.8 Ų63.850%0.50237%0.374SS..BIsolated β-bridgetrans-127.5143.9-177-63.6178.5-178.2177.40110.9R120 S141 C142 S146 K150 I164R120-R144 PolarHBondContact NH2-O 2.99Å; S141-R144 WeakPolarHBondContact O-CD 3.48Å; S141-R144 PolarHBondContact O-NE 3.43Å; C142-R144 PolarHBondContact O-N 3.16Å; R144-S146 PolarHBondContact O-N 3.47Å; R144-K150 WeakPolarHBondContact CA-O 3.49Å; R144-I164 WeakPolarHBondContact O-CD1 3.24Å; R144-I164 WeakPolarHBondContact O-CG1 3.34Å
145C86.9Confident79.8Confident2 Ų269 Ų691%0.01440%0.402CS..  trans-61.1131.3176.6179.90000111.6K147 C148 G149 K150 L152 I164 C166 C169C145-K147 VanDerWaalsContact C-N 3.29Å; C145-K147 PolarHBondContact O-N 3.17Å; C145-K147 PolarHBondContact SG-N 3.02Å; C145-C148 WeakPolarHBondContact CB-SG 3.49Å; C145-C148 PolarHBondContact SG-SG 2.67Å; C145-G149 VanDerWaalsContact O-CA 3.29Å; C145-G149 WeakPolarHBondContact O-CA 3.39Å; C145-G149 PolarHBondContact O-N 2.74Å; C145-K150 PolarHBondContact N-O 2.9Å; C145-L152 HydrophobicContact CB-CD1 4.16Å; C145-L152 HydrophobicContact CB-CD2 4.49Å; C145-L152 HydrophobicContact CB-CG 4.38Å; C145-I164 WeakPolarHBondContact CA-O 3.31Å; C145-C166 HydrophobicContact CB-CB 4.03Å; C145-C166 PolarHBondContact SG-N 3.01Å; C145-C169 PolarHBondContact SG-SG 3.47Å
146S84.3Confident79.4Confident53 Ų5367.8 Ų67.837%0.37138%0.377SS..THydrogen-bonded Turntrans-61.5-33.2177.6-167.90000113R144 E163 I164R144-S146 PolarHBondContact O-N 3.47Å; S146-E163 WeakPolarHBondContact CB-OE1 3.15Å; S146-E163 PolarHBondContact OG-OE1 2.85Å; S146-I164 PolarHBondContact N-O 2.92Å
147K84.3Confident79.2Confident133 Ų13365.1 Ų65.158%0.57836%0.364SS*.THydrogen-bonded Turntrans-83.6-41.4-177.6-67.7-62.7-172.5-173.90115.2C145 Y165 C169C145-K147 VanDerWaalsContact C-N 3.29Å; C145-K147 PolarHBondContact O-N 3.17Å; C145-K147 PolarHBondContact SG-N 3.02Å; K147-Y165 HydrophobicContact CD-CE1 4.44Å; K147-Y165 HydrophobicContact CG-CD1 3.87Å; K147-Y165 HydrophobicContact CG-CE1 3.76Å; K147-C169 HydrophobicContact CB-CB 4.39Å
148C83.9Confident79Confident65 Ų6565.6 Ų65.644%0.43937%0.368SS..THydrogen-bonded Turntrans-116.7-2.8-171.465.30000113.9C145 K150 C169C145-C148 WeakPolarHBondContact CB-SG 3.49Å; C145-C148 PolarHBondContact SG-SG 2.67Å; C148-K150 PolarHBondContact O-N 2.78Å; C148-C169 PolarHBondContact SG-SG 2.74Å
149G80.6Confident78.7Confident45 Ų4569.3 Ų69.346%0.46439%0.389SS..  trans67-5.1179.700000115.4C145 G151C145-G149 VanDerWaalsContact O-CA 3.29Å; C145-G149 WeakPolarHBondContact O-CA 3.39Å; C145-G149 PolarHBondContact O-N 2.74Å; G149-G151 PolarHBondContact O-N 3.46Å
150K81.4Confident78.2Confident157 Ų15771.5 Ų71.568%0.68340%0.398SS*.PPolyproline II helixtrans-62.4133.4177.8-107.2-171.3175.2-159.60110.5R144 C145 C148 L152R144-K150 WeakPolarHBondContact CA-O 3.49Å; C145-K150 PolarHBondContact N-O 2.9Å; C148-K150 PolarHBondContact O-N 2.78Å; K150-L152 PolarHBondContact O-N 2.85Å
151G80.5Confident77.8Confident57 Ų5772 Ų7259%0.58841%0.408SS*.BIsolated β-bridgetrans-57.4133.1166.900000110G149G149-G151 PolarHBondContact O-N 3.46Å
152L75.6Confident77.2Confident28 Ų2871.7 Ų71.715%0.14741%0.414CS..PPolyproline II helixtrans-100.4163.4176-62.9174.7000109.2F143 C145 K150 V157 C166F143-L152 HydrophobicContact CD1-CB 3.67Å; F143-L152 WeakPolarHBondContact CD1-O 3.3Å; F143-L152 HydrophobicContact CE1-CB 3.45Å; F143-L152 VanDerWaalsContact CE1-CB 3.45Å; F143-L152 HydrophobicContact CZ-CB 4.33Å; F143-L152 PolarHBondContact O-N 3.01Å; C145-L152 HydrophobicContact CB-CD1 4.16Å; C145-L152 HydrophobicContact CB-CD2 4.49Å; C145-L152 HydrophobicContact CB-CG 4.38Å; K150-L152 PolarHBondContact O-N 2.85Å; L152-V157 HydrophobicContact CD1-CB 4.4Å; L152-V157 HydrophobicContact CD1-CG2 3.86Å; L152-C166 HydrophobicContact CD2-CB 3.55Å
153E68.2Low77Confident158 Ų15874.7 Ų74.774%0.73843%0.426SS*.  trans-114.6146.6169.6-71-161.392.600110T155 T156E153-T155 PolarHBondContact O-N 2.66Å; E153-T156 PolarHBondContact O-N 3.37Å; E153-T156 VanDerWaalsContact O-N 3.14Å
154S63.9Low77Confident60 Ų6074.6 Ų74.642%0.4243%0.426SS..THydrogen-bonded Turntrans-47.4-30.7-163.8-19.80000114.7V131V131-S154 WeakPolarHBondContact CG1-OG 3.28Å
155T61.7Low76.9Confident133 Ų13369.1 Ų69.182%0.81641%0.405SS*.THydrogen-bonded Turntrans-87.4-11.5-169.4-53.20000113.9E153E153-T155 PolarHBondContact O-N 2.66Å
156T64.9Low76.9Confident61 Ų6169.9 Ų69.937%0.37441%0.41SS..SBendtrans-136.532.2-170.963.10000115.2E153E153-T156 PolarHBondContact O-N 3.37Å; E153-T156 VanDerWaalsContact O-N 3.14Å
157V75.5Confident76.7Confident28 Ų2873.6 Ų73.617%0.1742%0.419CS..EExtended strand (participates in β ladder)trans-90.3143.6174.664.70000111.4F143 L152 I164F143-V157 HydrophobicContact CE1-CB 4.36Å; F143-V157 HydrophobicContact CE2-CB 4.29Å; F143-V157 HydrophobicContact CE2-CG1 4.1Å; F143-V157 HydrophobicContact CE2-CG2 4.22Å; F143-V157 HydrophobicContact CZ-CB 3.6Å; F143-V157 HydrophobicContact CZ-CG1 3.57Å; F143-V157 HydrophobicContact CZ-CG2 3.96Å; L152-V157 HydrophobicContact CD1-CB 4.4Å; L152-V157 HydrophobicContact CD1-CG2 3.86Å; V157-I164 HydrophobicContact CG2-CB 3.61Å; V157-I164 HydrophobicContact CG2-CG2 3.67Å
158A79.1Confident76.6Confident19 Ų1970 Ų7016%0.15741%0.414CS..EExtended strand (participates in β ladder)trans-109.8123.6165.700000108.4Y165 Y170A158-Y165 PolarHBondContact N-O 3.22Å; A158-Y165 PolarHBondContact O-N 3.27Å; A158-Y170 HydrophobicContact CB-CD1 4.18Å; A158-Y170 HydrophobicContact CB-CD2 3.53Å; A158-Y170 HydrophobicContact CB-CE2 4.02Å; A158-Y170 HydrophobicContact CB-CG 3.63Å
159D80.7Confident76.6Confident87 Ų8767.7 Ų67.747%0.46540%0.399SS..EExtended strand (participates in β ladder)trans-89.1140.6169.565-72.7000110.6G134 E163G134-D159 VanDerWaalsContact CA-CG 3.5Å; G134-D159 WeakPolarHBondContact CA-OD1 3.41Å; D159-E163 WeakPolarHBondContact CA-O 3.22Å
160K75.4Confident76.8Confident59 Ų5969.4 Ų69.426%0.25739%0.392SS..EExtended strand (participates in β ladder)trans-149.1128.2168.1-159.1-154.9-88.7-116.10109.2G162 E163 Y165 Y170 F174K160-G162 PolarHBondContact O-N 2.8Å; K160-E163 PolarHBondContact N-O 3.43Å; K160-E163 PolarHBondContact O-N 3.14Å; K160-Y165 HydrophobicContact CB-CD2 4.29Å; K160-Y165 HydrophobicContact CB-CE2 4.1Å; K160-Y170 HydrophobicContact CB-CE2 4.26Å; K160-F174 HydrophobicContact CD-CD1 4.01Å; K160-F174 HydrophobicContact CD-CD2 4.37Å; K160-F174 HydrophobicContact CD-CE1 3.61Å; K160-F174 HydrophobicContact CD-CE2 4.05Å; K160-F174 HydrophobicContact CD-CG 4.34Å; K160-F174 HydrophobicContact CD-CZ 3.63Å
161D70.1Confident76.9Confident150 Ų15064.9 Ų64.980%0.80238%0.384SS*.THydrogen-bonded Turntrans54.832.7177.3-59.2-73.5000113.9E163D161-E163 VanDerWaalsContact C-N 3.28Å; D161-E163 PolarHBondContact O-N 3.03Å
162G71.1Confident76.9Confident54 Ų5470.2 Ų70.256%0.55739%0.391SS*.THydrogen-bonded Turntrans81.50.5-178.400000115K160K160-G162 PolarHBondContact O-N 2.8Å
163E77.9Confident77.1Confident84 Ų8472.4 Ų72.439%0.39340%0.403SS..EExtended strand (participates in β ladder)trans-107.7147.8173.4-80.1172.971.800112.2S146 D159 K160 D161 Y165S146-E163 WeakPolarHBondContact CB-OE1 3.15Å; S146-E163 PolarHBondContact OG-OE1 2.85Å; D159-E163 WeakPolarHBondContact CA-O 3.22Å; K160-E163 PolarHBondContact N-O 3.43Å; K160-E163 PolarHBondContact O-N 3.14Å; D161-E163 VanDerWaalsContact C-N 3.28Å; D161-E163 PolarHBondContact O-N 3.03Å; E163-Y165 HydrophobicContact CB-CE2 3.69Å
164I84.3Confident77.6Confident1 Ų168 Ų681%0.00538%0.381CS..EExtended strand (participates in β ladder)trans-102.3134.6-179.952.5161.3000111.7W138 F143 R144 C145 S146 V157W138-I164 HydrophobicContact CD2-CD1 4.46Å; W138-I164 HydrophobicContact CE3-CD1 4.16Å; W138-I164 HydrophobicContact CH2-CG1 4.08Å; W138-I164 HydrophobicContact CH2-CG2 3.9Å; W138-I164 HydrophobicContact CZ2-CG1 4.49Å; W138-I164 HydrophobicContact CZ2-CG2 3.52Å; W138-I164 HydrophobicContact CZ3-CD1 4.19Å; W138-I164 HydrophobicContact CZ3-CG1 4.08Å; F143-I164 HydrophobicContact CD2-CD1 3.72Å; F143-I164 HydrophobicContact CE2-CD1 4.15Å; F143-I164 HydrophobicContact CG-CD1 4.17Å; R144-I164 WeakPolarHBondContact O-CD1 3.24Å; R144-I164 WeakPolarHBondContact O-CG1 3.34Å; C145-I164 WeakPolarHBondContact CA-O 3.31Å; S146-I164 PolarHBondContact N-O 2.92Å; V157-I164 HydrophobicContact CG2-CB 3.61Å; V157-I164 HydrophobicContact CG2-CG2 3.67Å
165Y85.3Confident78.1Confident18 Ų1866 Ų667%0.07137%0.37CS..EExtended strand (participates in β ladder)trans-125.8149.2-177.6-61.7-88.1000111.9K147 A158 K160 E163 F174K147-Y165 HydrophobicContact CD-CE1 4.44Å; K147-Y165 HydrophobicContact CG-CD1 3.87Å; K147-Y165 HydrophobicContact CG-CE1 3.76Å; A158-Y165 PolarHBondContact N-O 3.22Å; A158-Y165 PolarHBondContact O-N 3.27Å; K160-Y165 HydrophobicContact CB-CD2 4.29Å; K160-Y165 HydrophobicContact CB-CE2 4.1Å; E163-Y165 HydrophobicContact CB-CE2 3.69Å; Y165-F174 HydrophobicContact CD1-CE2 4.49Å; Y165-F174 HydrophobicContact CD2-CE2 4.41Å; Y165-F174 HydrophobicContact CE1-CE2 4.34Å; Y165-F174 HydrophobicContact CE2-CE2 4.28Å
166C86.3Confident78.6Confident17 Ų1766 Ų6612%0.11537%0.373CS..EExtended strand (participates in β ladder)trans-70.2144.8170.290.40000110.1C145 L152 A168 C169 Y170C145-C166 HydrophobicContact CB-CB 4.03Å; C145-C166 PolarHBondContact SG-N 3.01Å; L152-C166 HydrophobicContact CD2-CB 3.55Å; C166-A168 PolarHBondContact O-N 3.05Å; C166-A168 VanDerWaalsContact O-N 3.13Å; C166-C169 HydrophobicContact CB-CB 4.13Å; C166-C169 WeakPolarHBondContact CB-SG 3.14Å; C166-C169 CarbonylContact O-C 3.47Å; C166-C169 WeakPolarHBondContact O-CA 3.47Å; C166-C169 WeakPolarHBondContact O-CB 3.42Å; C166-C169 PolarHBondContact O-N 3.31Å; C166-C169 WeakPolarHBondContact SG-CB 3.43Å; C166-C169 PolarHBondContact SG-N 3.01Å; C166-C169 CovalentContact SG-SG 2.08Å; C166-C169 PolarHBondContact SG-SG 2.93Å; C166-Y170 WeakPolarHBondContact O-CB 3.13Å; C166-Y170 PolarHBondContact O-N 3.19Å
167K79.9Confident78.4Confident131 Ų13171.9 Ų71.957%0.5739%0.393SS*.Hα-helixtrans-49.3-41.9176.6-83.1-178.2179-179.90113.2C169 Y170 A171K167-C169 PolarHBondContact O-N 3.13Å; K167-Y170 PolarHBondContact O-N 3.3Å; K167-A171 VanDerWaalsContact O-CB 3.3Å; K167-A171 WeakPolarHBondContact O-CB 3.44Å; K167-A171 PolarHBondContact O-N 2.62Å
168A82.6Confident77.3Confident57 Ų5773.9 Ų73.947%0.47142%0.42SS..Hα-helixtrans-65.3-37.5177.300000112.9C166 K172C166-A168 PolarHBondContact O-N 3.05Å; C166-A168 VanDerWaalsContact O-N 3.13Å; A168-K172 WeakPolarHBondContact O-CB 3.44Å; A168-K172 WeakPolarHBondContact O-CD 3.48Å; A168-K172 WeakPolarHBondContact O-CG 3.29Å; A168-K172 PolarHBondContact O-N 3.12Å; A168-K172 VanDerWaalsContact O-N 3.09Å
169C82.8Confident76.2Confident18 Ų1881.8 Ų81.812%0.12245%0.451CS..Hα-helixtrans-73.8-41179.9-50.10000110.3C145 K147 C148 C166 K167 K172 N173C145-C169 PolarHBondContact SG-SG 3.47Å; K147-C169 HydrophobicContact CB-CB 4.39Å; C148-C169 PolarHBondContact SG-SG 2.74Å; C166-C169 HydrophobicContact CB-CB 4.13Å; C166-C169 WeakPolarHBondContact CB-SG 3.14Å; C166-C169 CarbonylContact O-C 3.47Å; C166-C169 WeakPolarHBondContact O-CA 3.47Å; C166-C169 WeakPolarHBondContact O-CB 3.42Å; C166-C169 PolarHBondContact O-N 3.31Å; C166-C169 WeakPolarHBondContact SG-CB 3.43Å; C166-C169 PolarHBondContact SG-N 3.01Å; C166-C169 CovalentContact SG-SG 2.08Å; C166-C169 PolarHBondContact SG-SG 2.93Å; K167-C169 PolarHBondContact O-N 3.13Å; C169-K172 PolarHBondContact O-N 3Å; C169-N173 VanDerWaalsContact O-CB 3.32Å; C169-N173 WeakPolarHBondContact O-CB 3.35Å; C169-N173 PolarHBondContact O-N 2.76Å
170Y85.7Confident75Confident81 Ų8180.5 Ų80.532%0.31846%0.458SS..Hα-helixtrans-64.3-48.1176.6-171.6-92000110.8A158 K160 C166 K167 K172 N173 F174 G175A158-Y170 HydrophobicContact CB-CD1 4.18Å; A158-Y170 HydrophobicContact CB-CD2 3.53Å; A158-Y170 HydrophobicContact CB-CE2 4.02Å; A158-Y170 HydrophobicContact CB-CG 3.63Å; K160-Y170 HydrophobicContact CB-CE2 4.26Å; C166-Y170 WeakPolarHBondContact O-CB 3.13Å; C166-Y170 PolarHBondContact O-N 3.19Å; K167-Y170 PolarHBondContact O-N 3.3Å; Y170-K172 PolarHBondContact O-N 3.06Å; Y170-N173 PolarHBondContact O-N 3.39Å; Y170-F174 HydrophobicContact CD2-CB 4.42Å; Y170-F174 AromaticContact CD2-CD2 3.71Å; Y170-F174 HydrophobicContact CD2-CD2 3.71Å; Y170-F174 HydrophobicContact CD2-CE2 4.42Å; Y170-F174 HydrophobicContact CD2-CG 4.47Å; Y170-F174 HydrophobicContact CE1-CB 4.45Å; Y170-F174 HydrophobicContact CE2-CB 4.23Å; Y170-F174 AromaticContact CE2-CD2 3.99Å; Y170-F174 HydrophobicContact CE2-CD2 3.99Å; Y170-F174 HydrophobicContact CE2-CG 4.4Å; Y170-F174 HydrophobicContact CG-CD2 4.31Å; Y170-F174 CarbonylContact O-C 3.57Å; Y170-F174 WeakPolarHBondContact O-CA 3.4Å; Y170-F174 WeakPolarHBondContact O-CB 3.37Å; Y170-F174 PolarHBondContact O-N 3.14Å; Y170-G175 PolarHBondContact O-N 3.06Å; Y170-G175 VanDerWaalsContact O-N 3.16Å
171A83.1Confident73.8Confident61 Ų6187.6 Ų87.650%0.50449%0.489SS..Hα-helixtrans-62.9-40.1176.700000112.8K167 G175K167-A171 VanDerWaalsContact O-CB 3.3Å; K167-A171 WeakPolarHBondContact O-CB 3.44Å; K167-A171 PolarHBondContact O-N 2.62Å; A171-G175 WeakPolarHBondContact O-CA 3.45Å; A171-G175 PolarHBondContact O-N 2.96Å
172K81.4Confident73.1Confident169 Ų16983.3 Ų83.374%0.73548%0.481SS*.Hα-helixtrans-67.7-39.4178-75.2173.4-176.9-172.70113.4A168 C169 Y170A168-K172 WeakPolarHBondContact O-CB 3.44Å; A168-K172 WeakPolarHBondContact O-CD 3.48Å; A168-K172 WeakPolarHBondContact O-CG 3.29Å; A168-K172 PolarHBondContact O-N 3.12Å; A168-K172 VanDerWaalsContact O-N 3.09Å; C169-K172 PolarHBondContact O-N 3Å; Y170-K172 PolarHBondContact O-N 3.06Å
173N78.4Confident72.3Confident74 Ų7490.3 Ų90.340%0.39650%0.499SS..Hα-helixtrans-94.4-30.2-173-162.582.3000113.3C169 Y170C169-N173 VanDerWaalsContact O-CB 3.32Å; C169-N173 WeakPolarHBondContact O-CB 3.35Å; C169-N173 PolarHBondContact O-N 2.76Å; Y170-N173 PolarHBondContact O-N 3.39Å
174F78.9Confident70.7Confident65 Ų6590.1 Ų90.129%0.28552%0.519SS..Hα-helixtrans-132.3-2-170.9-51.9-70.2000113.9K160 Y165 Y170K160-F174 HydrophobicContact CD-CD1 4.01Å; K160-F174 HydrophobicContact CD-CD2 4.37Å; K160-F174 HydrophobicContact CD-CE1 3.61Å; K160-F174 HydrophobicContact CD-CE2 4.05Å; K160-F174 HydrophobicContact CD-CG 4.34Å; K160-F174 HydrophobicContact CD-CZ 3.63Å; Y165-F174 HydrophobicContact CD1-CE2 4.49Å; Y165-F174 HydrophobicContact CD2-CE2 4.41Å; Y165-F174 HydrophobicContact CE1-CE2 4.34Å; Y165-F174 HydrophobicContact CE2-CE2 4.28Å; Y170-F174 HydrophobicContact CD2-CB 4.42Å; Y170-F174 AromaticContact CD2-CD2 3.71Å; Y170-F174 HydrophobicContact CD2-CD2 3.71Å; Y170-F174 HydrophobicContact CD2-CE2 4.42Å; Y170-F174 HydrophobicContact CD2-CG 4.47Å; Y170-F174 HydrophobicContact CE1-CB 4.45Å; Y170-F174 HydrophobicContact CE2-CB 4.23Å; Y170-F174 AromaticContact CE2-CD2 3.99Å; Y170-F174 HydrophobicContact CE2-CD2 3.99Å; Y170-F174 HydrophobicContact CE2-CG 4.4Å; Y170-F174 HydrophobicContact CG-CD2 4.31Å; Y170-F174 CarbonylContact O-C 3.57Å; Y170-F174 WeakPolarHBondContact O-CA 3.4Å; Y170-F174 WeakPolarHBondContact O-CB 3.37Å; Y170-F174 PolarHBondContact O-N 3.14Å
175G75.7Confident69.5Low19 Ų1995.2 Ų95.220%0.19656%0.561CS.*SBendtrans-66.2156.316700000110.4Y170 A171 K177Y170-G175 PolarHBondContact O-N 3.06Å; Y170-G175 VanDerWaalsContact O-N 3.16Å; A171-G175 WeakPolarHBondContact O-CA 3.45Å; A171-G175 PolarHBondContact O-N 2.96Å; G175-K177 PolarHBondContact O-N 3.03Å
176P71.5Confident67.7Low134 Ų13497.7 Ų97.787%0.8759%0.593SS**  trans-55.9115.7173.923.9-32000108.2G178P176-G178 PolarHBondContact O-N 2.93Å
177K60.3Low66.5Low183 Ų183101.6 Ų101.680%0.79663%0.626SS**  trans-71.473.1168.5-77.6174.6176.6166.50107.3G175 F179G175-K177 PolarHBondContact O-N 3.03Å; K177-F179 PolarHBondContact O-N 3.48Å
178G53Low65.1Low71 Ų71103.7 Ų103.773%0.73264%0.643SS**  trans-64.9111.5173.600000108.9P176P176-G178 PolarHBondContact O-N 2.93Å
179F55.8Low63.8Low185 Ų185105.6 Ų105.681%0.81166%0.659SS**  trans-45.8133.8175.1-153.3-102000111.4K177K177-F179 PolarHBondContact O-N 3.48Å
180G54.8Low61.9Low60 Ų60113.7 Ų113.762%0.61970%0.695SS**  trans-63.5138.4171.500000110.9
181F52Low60.1Low208 Ų208113.9 Ų113.991%0.91271%0.713SS**  trans-97.7100152.6-76.7-82.9000107.3
182G55.5Low58.7Low60 Ų60123.5 Ų123.562%0.61975%0.747SS**  trans-84.3162.9159.200000110.8
183Q52.3Low57.5Low200 Ų200121.3 Ų121.394%0.93575%0.748SS**  trans75.8110170.2-97.376.862.800118.9
184G45.3Very low56.4Low80 Ų80123.7 Ų123.783%0.82577%0.767SS**  trans-163.671.6154.700000109.7
185A58Low55.2Low108 Ų108127 Ų12789%0.89379%0.793SS**  trans-68.3126165.100000108.3
186G48.6Very low54Low71 Ų71133.4 Ų133.473%0.73283%0.828SS**  trans-146.577.2174.400000109.3L188G186-L188 PolarHBondContact O-N 3.12Å
187A60.2Low52.9Low99 Ų99133.3 Ų133.382%0.81883%0.826SS**  trans-69.6120.9159.800000107.3
188L52.2Low52.4Low174 Ų174130 Ų13091%0.91183%0.828SS**  trans-130111156.5-69.8176.1000107.5G186G186-L188 PolarHBondContact O-N 3.12Å
189A54.3Low52.3Low98 Ų98134.2 Ų134.281%0.8184%0.835SS**  trans-59135.8173.900000110.1A191A189-A191 PolarHBondContact O-N 3.26Å
190H42.2Very low52.1Low188 Ų188130.3 Ų130.387%0.8784%0.836SS**  trans-76115.9166.5-161.273000107.5
191A49Very low51.8Low85 Ų85136.2 Ų136.270%0.70286%0.855SS**  trans-105.9121.4174.600000109.6A189A189-A191 PolarHBondContact O-N 3.26Å
192Q52.8Low51.8Low263 Ų263129.6 Ų129.6100%1.22985%0.849SS**  trans53.60158.4-65.1-175.2-42.400119.3

Retrieved 192 of 192 residues in 405.6 ms (Link to these results)

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