A0A3Q0KIE1_SCHMA Loading...

Putative rho3 GTPase; Putative rho3 GTPase; Rho3 GTPase; Rho3 GTPase; Rho3 GTPase; Rho3 GTPase

AlphaFold DB (Q8I8A0), UniProt , Accession A0A3Q0KIE1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 242 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
1M53.7Low84Confident135 Ų13555.8 Ų55.867%0.66529%0.286SS*.  0139.50-66.3-173.9-176.800108T5 W59M1-T5 HydrophobicContact CB-CG2 4.47Å; M1-T5 HydrophobicContact SD-CG2 3.88Å; M1-W59 HydrophobicContact CE-CH2 3.63Å; M1-W59 HydrophobicContact CE-CZ2 4.1Å; M1-W59 HydrophobicContact CE-CZ3 4.05Å; M1-W59 HydrophobicContact SD-CH2 3.19Å; M1-W59 WeakPolarHBondContact SD-CH2 3.38Å; M1-W59 HydrophobicContact SD-CZ2 4.01Å; M1-W59 HydrophobicContact SD-CZ3 3.82Å
2T47.4Very low85.2Confident96 Ų9651.2 Ų51.259%0.58926%0.262SS*.  trans-76.8161.9-175.749.20000111.1T4 T5T2-T4 PolarHBondContact O-N 3.14Å; T2-T4 PolarHBondContact OG1-OG1 3.49Å; T2-T5 PolarHBondContact O-N 3.15Å
3E61.5Low86.1Confident205 Ų20549.3 Ų49.396%0.95825%0.253SS*.THydrogen-bonded Turntrans-54.7-12.7178-78.3-177.915400114.5
4T80.8Confident86.6Confident76 Ų7647.9 Ų47.947%0.46626%0.257SS..THydrogen-bonded Turntrans-88.6-10.6179.653.50000114.4T2 R6T2-T4 PolarHBondContact O-N 3.14Å; T2-T4 PolarHBondContact OG1-OG1 3.49Å; T4-R6 VanDerWaalsContact O-CD 3.29Å; T4-R6 WeakPolarHBondContact O-CD 3.47Å; T4-R6 PolarHBondContact O-NH1 3.04Å
5T93.6Very high87.1Confident30 Ų3053.4 Ų53.418%0.18428%0.282CS..EExtended strand (participates in β ladder)trans-84.4123.5-178.1-50.90000111.5M1 T2 T55 G57M1-T5 HydrophobicContact CB-CG2 4.47Å; M1-T5 HydrophobicContact SD-CG2 3.88Å; T2-T5 PolarHBondContact O-N 3.15Å; T5-T55 CarbonylContact C-O 3.58Å; T5-T55 WeakPolarHBondContact CA-O 3.38Å; T5-T55 HydrophobicContact CG2-CG2 4.29Å; T5-G57 VanDerWaalsContact CG2-N 3.31Å
6R97Very high87.7Confident47 Ų4750.3 Ų50.318%0.17727%0.266CS..EExtended strand (participates in β ladder)trans-96.5126.7177.3-7963172.9-159-3.3109.7T4 L54 T55 L56 G57 I183 E187T4-R6 VanDerWaalsContact O-CD 3.29Å; T4-R6 WeakPolarHBondContact O-CD 3.47Å; T4-R6 PolarHBondContact O-NH1 3.04Å; R6-L54 HydrophobicContact CB-CD1 4.23Å; R6-L54 HydrophobicContact CG-CD1 4.15Å; R6-T55 PolarHBondContact N-O 2.88Å; R6-L56 HydrophobicContact CB-CD2 4.26Å; R6-L56 CarbonylContact O-C 3.48Å; R6-L56 WeakPolarHBondContact O-CA 3.37Å; R6-G57 PolarHBondContact O-N 2.78Å; R6-I183 HydrophobicContact CB-CD1 4.22Å; R6-I183 HydrophobicContact CB-CG2 3.95Å; R6-I183 HydrophobicContact CG-CG2 3.42Å; R6-I183 VanDerWaalsContact CG-CG2 3.42Å; R6-E187 WeakPolarHBondContact CG-OE1 3.5Å; R6-E187 IonicContact CZ-OE1 3.5Å; R6-E187 IonicContact CZ-OE2 2.69Å; R6-E187 IonicContact NE-OE1 3.65Å; R6-E187 PolarHBondContact NE-OE1 3Å; R6-E187 IonicContact NE-OE2 2.83Å; R6-E187 PolarHBondContact NE-OE2 3.06Å; R6-E187 IonicContact NH2-OE1 3.68Å; R6-E187 IonicContact NH2-OE2 3.14Å; R6-E187 PolarHBondContact NH2-OE2 2.7Å
7K97.6Very high88.1Confident25 Ų2548.4 Ų48.411%0.10926%0.261CS..EExtended strand (participates in β ladder)trans-91.8119.8-169173.7166.4177.4-176.70111.3V9 G57 W59 A74 P76 S79 L80K7-V9 HydrophobicContact CG-CG2 4.23Å; K7-G57 WeakPolarHBondContact CA-O 3.47Å; K7-W59 HydrophobicContact CB-CE3 4.34Å; K7-W59 HydrophobicContact CB-CH2 4.24Å; K7-W59 HydrophobicContact CB-CZ3 3.84Å; K7-W59 HydrophobicContact CD-CD2 3.98Å; K7-W59 HydrophobicContact CD-CE3 3.98Å; K7-W59 HydrophobicContact CD-CH2 3.71Å; K7-W59 HydrophobicContact CD-CZ2 3.79Å; K7-W59 HydrophobicContact CD-CZ3 3.81Å; K7-W59 VanDerWaalsContact CE-CE2 3.41Å; K7-W59 HydrophobicContact CG-CD2 3.97Å; K7-W59 HydrophobicContact CG-CE3 3.54Å; K7-W59 HydrophobicContact CG-CH2 3.91Å; K7-W59 HydrophobicContact CG-CZ2 4.38Å; K7-W59 HydrophobicContact CG-CZ3 3.47Å; K7-W59 VanDerWaalsContact CG-CZ3 3.47Å; K7-A74 WeakPolarHBondContact CE-O 3.29Å; K7-A74 PolarHBondContact NZ-O 3.15Å; K7-P76 PolarHBondContact NZ-O 2.97Å; K7-S79 PolarHBondContact N-OG 2.74Å; K7-S79 WeakPolarHBondContact O-CA 3.32Å; K7-S79 WeakPolarHBondContact O-CB 3.33Å; K7-S79 PolarHBondContact O-N 2.87Å; K7-L80 PolarHBondContact O-N 2.84Å
8I98.5Very high88.6Confident0 Ų046.3 Ų46.30%025%0.249CC..EExtended strand (participates in β ladder)trans-106.5128.5169.9-60.4-178.7000108.3V10 L56 G57 L58 W59 L80 L82 F176 A179 I183I8-V10 HydrophobicContact CG2-CG2 4.37Å; I8-L56 HydrophobicContact CD1-CD1 3.82Å; I8-L56 HydrophobicContact CD1-CD2 3.85Å; I8-L56 HydrophobicContact CD1-CG 4.3Å; I8-L56 HydrophobicContact CG1-CD2 4.34Å; I8-G57 PolarHBondContact N-O 2.81Å; I8-L58 HydrophobicContact CB-CD2 4.22Å; I8-L58 HydrophobicContact CD1-CD2 4.37Å; I8-W59 PolarHBondContact O-N 2.98Å; I8-L80 WeakPolarHBondContact CA-O 3.31Å; I8-L80 HydrophobicContact CG1-CB 4.45Å; I8-L80 HydrophobicContact CG2-CD2 4.28Å; I8-L82 HydrophobicContact CG2-CD1 3.94Å; I8-L82 HydrophobicContact CG2-CG 3.71Å; I8-F176 HydrophobicContact CD1-CD1 4.27Å; I8-A179 HydrophobicContact CD1-CB 3.7Å; I8-I183 HydrophobicContact CD1-CD1 4.22Å; I8-I183 HydrophobicContact CG1-CD1 3.96Å
9V98.3Very high89Confident0 Ų046.1 Ų46.10%025%0.25CC..EExtended strand (participates in β ladder)trans-108.7130.9173.1-172.30000108.7K7 V11 W59 T61 A74 Y75 A78 L80 I81 L82K7-V9 HydrophobicContact CG-CG2 4.23Å; V9-V11 HydrophobicContact CG1-CG1 3.96Å; V9-W59 HydrophobicContact CB-CB 4.42Å; V9-W59 HydrophobicContact CG1-CB 4.29Å; V9-W59 HydrophobicContact CG2-CB 4.16Å; V9-T61 HydrophobicContact CG1-CG2 4.09Å; V9-A74 HydrophobicContact CG1-CB 4.07Å; V9-A74 VanDerWaalsContact CG2-O 3.31Å; V9-A74 WeakPolarHBondContact CG2-O 3.2Å; V9-Y75 HydrophobicContact CG1-CD1 4.17Å; V9-Y75 HydrophobicContact CG1-CE1 4.12Å; V9-A78 HydrophobicContact CG2-CB 3.79Å; V9-L80 PolarHBondContact N-O 3.37Å; V9-L80 VanDerWaalsContact N-O 3.14Å; V9-I81 HydrophobicContact CB-CD1 3.78Å; V9-I81 HydrophobicContact CG2-CD1 4.18Å; V9-I81 WeakPolarHBondContact O-CA 3.34Å; V9-L82 PolarHBondContact O-N 2.94Å
10V98.3Very high89.3Confident0 Ų045.1 Ų45.10%025%0.248CC..EExtended strand (participates in β ladder)trans-108.6121.9-178-167.30000109.1I8 K18 L22 W59 T61 L82 C84I8-V10 HydrophobicContact CG2-CG2 4.37Å; V10-K18 HydrophobicContact CG1-CB 3.85Å; V10-K18 HydrophobicContact CG1-CD 4.04Å; V10-K18 HydrophobicContact CG1-CG 3.92Å; V10-L22 HydrophobicContact CB-CD1 4.32Å; V10-L22 HydrophobicContact CG2-CD1 3.95Å; V10-L22 HydrophobicContact CG2-CD2 3.76Å; V10-L22 HydrophobicContact CG2-CG 4.18Å; V10-W59 PolarHBondContact N-O 2.96Å; V10-T61 PolarHBondContact O-OG1 2.84Å; V10-L82 HydrophobicContact CB-CB 4.5Å; V10-L82 HydrophobicContact CG1-CB 4.14Å; V10-L82 HydrophobicContact CG2-CB 4.34Å; V10-L82 HydrophobicContact CG2-CD1 4.02Å; V10-L82 HydrophobicContact CG2-CG 4.46Å; V10-C84 VanDerWaalsContact CG1-SG 3.57Å
11V97.9Very high89.7Confident0 Ų043 Ų430%024%0.237CC..EExtended strand (participates in β ladder)trans-136164.8-175.9-55.30000111V9 K18 R71 Y75 I81 L82 L83 C84 W100 V104V9-V11 HydrophobicContact CG1-CG1 3.96Å; V11-K18 VanDerWaalsContact C-CD 3.49Å; V11-R71 HydrophobicContact CG1-CG 4.4Å; V11-Y75 HydrophobicContact CG1-CE1 3.89Å; V11-I81 HydrophobicContact CG2-CG2 3.84Å; V11-L82 PolarHBondContact N-O 3.49Å; V11-L83 HydrophobicContact CG2-CD2 3.63Å; V11-L83 HydrophobicContact CG2-CG 4.38Å; V11-C84 PolarHBondContact O-N 2.97Å; V11-W100 HydrophobicContact CB-CE3 3.89Å; V11-W100 HydrophobicContact CB-CZ3 4.12Å; V11-W100 HydrophobicContact CG2-CE3 4.23Å; V11-V104 HydrophobicContact CG2-CG2 3.84Å
12G98Very high91.8Very high0 Ų037 Ų370%021%0.207CC..  trans137.9170.3-171.100000111.1K18 G63 C84 W100G12-K18 PolarHBondContact O-NZ 3.4Å; G12-G63 WeakPolarHBondContact O-CA 3.46Å; G12-C84 WeakPolarHBondContact CA-O 3.19Å; G12-W100 VanDerWaalsContact CA-CE2 3.42Å; G12-W100 WeakPolarHBondContact O-CH2 3.43Å; G12-W100 WeakPolarHBondContact O-CZ2 3.36Å
13D96.8Very high94Very high27 Ų2733.1 Ų33.114%0.14418%0.184CC..SBendtrans-54.5161-175-77.511.1000113.5V16 K18 S92 N95 W100D13-V16 HydrophobicContact CB-CG1 3.68Å; D13-V16 VanDerWaalsContact O-CG2 3.31Å; D13-V16 WeakPolarHBondContact O-CG2 3.19Å; D13-K18 PolarHBondContact O-NZ 3.05Å; D13-S92 WeakPolarHBondContact OD2-CA 3.45Å; D13-N95 WeakPolarHBondContact OD1-CB 3.29Å; D13-N95 PolarHBondContact OD1-ND2 2.61Å; D13-N95 PolarHBondContact OD2-ND2 2.73Å; D13-W100 PolarHBondContact OD1-NE1 3.13Å
14G93.7Very high95.6Very high29 Ų2923.4 Ų23.430%0.29914%0.139SC..THydrogen-bonded Turntrans-53.4146.216600000111.3V16G14-V16 PolarHBondContact O-N 2.77Å
15M93.4Very high96.4Very high131 Ų13120.2 Ų20.265%0.64512%0.119SC*.THydrogen-bonded Turntrans61.79.3171.4-54.4168.564.400116.7G17 Y34 K119M15-G17 VanDerWaalsContact C-N 3.27Å; M15-G17 PolarHBondContact O-N 3.35Å; M15-Y34 HydrophobicContact CG-CE1 3.86Å; M15-K119 WeakPolarHBondContact O-CE 3.3Å; M15-K119 PolarHBondContact O-NZ 3.27Å
16V96.2Very high96.5Very high3 Ų320.7 Ų20.72%0.01812%0.121CC..SBendtrans-71.1-22.7176-61.20000113.2D13 G14 K18 C84 A86 C118 K119D13-V16 HydrophobicContact CB-CG1 3.68Å; D13-V16 VanDerWaalsContact O-CG2 3.31Å; D13-V16 WeakPolarHBondContact O-CG2 3.19Å; G14-V16 PolarHBondContact O-N 2.77Å; V16-K18 HydrophobicContact CG2-CD 4.39Å; V16-K18 HydrophobicContact CG2-CG 3.69Å; V16-C84 HydrophobicContact CG2-CB 3.95Å; V16-A86 HydrophobicContact CB-CB 4.06Å; V16-A86 HydrophobicContact CG1-CB 4.24Å; V16-C118 WeakPolarHBondContact O-CB 3.46Å; V16-K119 WeakPolarHBondContact O-CE 3.49Å
17G95.9Very high96.3Very high18 Ų1823.2 Ų23.219%0.18614%0.138CC..SBendtrans113.720.8177.400000115.5M15 A20 L21M15-G17 VanDerWaalsContact C-N 3.27Å; M15-G17 PolarHBondContact O-N 3.35Å; G17-A20 PolarHBondContact O-N 3.46Å; G17-L21 WeakPolarHBondContact O-CB 3.35Å; G17-L21 PolarHBondContact O-N 3.43Å
18K97.2Very high95.9Very high11 Ų1123.3 Ų23.35%0.04815%0.146CC..Hα-helixtrans-54.7-56.9177.2-57.2-172-59.6-79.20112.4V10 V11 G12 D13 V16 A20 L21 L22 T61 C84V10-K18 HydrophobicContact CG1-CB 3.85Å; V10-K18 HydrophobicContact CG1-CD 4.04Å; V10-K18 HydrophobicContact CG1-CG 3.92Å; V11-K18 VanDerWaalsContact C-CD 3.49Å; G12-K18 PolarHBondContact O-NZ 3.4Å; D13-K18 PolarHBondContact O-NZ 3.05Å; V16-K18 HydrophobicContact CG2-CD 4.39Å; V16-K18 HydrophobicContact CG2-CG 3.69Å; K18-A20 VanDerWaalsContact C-N 3.32Å; K18-A20 PolarHBondContact O-N 3.2Å; K18-L21 WeakPolarHBondContact O-CB 3.44Å; K18-L21 PolarHBondContact O-N 3.26Å; K18-L22 WeakPolarHBondContact O-CG 3.36Å; K18-L22 PolarHBondContact O-N 3.09Å; K18-T61 WeakPolarHBondContact CE-O 3.32Å; K18-C84 HydrophobicContact CD-CB 4.44Å; K18-C84 HydrophobicContact CG-CB 3.89Å
19T95.4Very high95.3Very high42 Ų4225.6 Ų25.626%0.25817%0.165SC..Hα-helixtrans-61.4-39.7178.5-45.70000112.2L22 S23 T37 D60T19-L22 PolarHBondContact O-N 3.37Å; T19-S23 VanDerWaalsContact O-CB 3.28Å; T19-S23 WeakPolarHBondContact O-CB 3.37Å; T19-S23 PolarHBondContact O-N 3.35Å; T19-T37 PolarHBondContact OG1-OG1 3.36Å; T19-D60 WeakPolarHBondContact CA-OD2 3.34Å; T19-D60 WeakPolarHBondContact CB-OD2 3.31Å; T19-D60 VanDerWaalsContact CG2-OD2 3.29Å; T19-D60 WeakPolarHBondContact CG2-OD2 3.42Å; T19-D60 PolarHBondContact OG1-OD2 3.43Å
20A95.7Very high94.5Very high27 Ų2729 Ų2922%0.22318%0.18CC..Hα-helixtrans-64.9-41.6176.300000112.2G17 K18 A24 F30 A166G17-A20 PolarHBondContact O-N 3.46Å; K18-A20 VanDerWaalsContact C-N 3.32Å; K18-A20 PolarHBondContact O-N 3.2Å; A20-A24 WeakPolarHBondContact O-CB 3.4Å; A20-A24 PolarHBondContact O-N 3.25Å; A20-F30 HydrophobicContact CB-CD2 4.35Å; A20-F30 HydrophobicContact CB-CE2 3.84Å; A20-A166 HydrophobicContact CB-CB 3.9Å; A20-A166 WeakPolarHBondContact O-CB 3.48Å
21L97.4Very high93.6Very high1 Ų134.8 Ų34.81%0.00521%0.208CC..Hα-helixtrans-60.5-48.2174170.561.2000111G17 K18 F25 V116 V172 F176G17-L21 WeakPolarHBondContact O-CB 3.35Å; G17-L21 PolarHBondContact O-N 3.43Å; K18-L21 WeakPolarHBondContact O-CB 3.44Å; K18-L21 PolarHBondContact O-N 3.26Å; L21-F25 WeakPolarHBondContact O-CB 3.49Å; L21-F25 PolarHBondContact O-N 3.03Å; L21-V116 HydrophobicContact CD2-CG1 4.02Å; L21-V172 HydrophobicContact CD1-CB 4.44Å; L21-V172 HydrophobicContact CD1-CG1 4.16Å; L21-V172 HydrophobicContact CD1-CG2 4.19Å; L21-F176 HydrophobicContact CD1-CE2 3.92Å; L21-F176 HydrophobicContact CD1-CZ 4.42Å; L21-F176 HydrophobicContact CD2-CZ 4.47Å; L21-F176 HydrophobicContact CG-CE2 4.07Å; L21-F176 HydrophobicContact CG-CZ 4.06Å
22L96.7Very high92.3Very high8 Ų841.6 Ų41.64%0.04224%0.244CC..Hα-helixtrans-64.4-45179.1-68.3171.5000111.8V10 K18 T19 F25 V26 L58 D60 F176V10-L22 HydrophobicContact CB-CD1 4.32Å; V10-L22 HydrophobicContact CG2-CD1 3.95Å; V10-L22 HydrophobicContact CG2-CD2 3.76Å; V10-L22 HydrophobicContact CG2-CG 4.18Å; K18-L22 WeakPolarHBondContact O-CG 3.36Å; K18-L22 PolarHBondContact O-N 3.09Å; T19-L22 PolarHBondContact O-N 3.37Å; L22-F25 PolarHBondContact O-N 3.32Å; L22-V26 WeakPolarHBondContact O-CB 3.49Å; L22-V26 WeakPolarHBondContact O-CG2 3.5Å; L22-V26 PolarHBondContact O-N 2.88Å; L22-L58 HydrophobicContact CD2-CB 4.02Å; L22-L58 HydrophobicContact CD2-CD1 4.14Å; L22-L58 HydrophobicContact CD2-CD2 4.32Å; L22-L58 HydrophobicContact CD2-CG 4.39Å; L22-D60 HydrophobicContact CD1-CB 3.4Å; L22-F176 HydrophobicContact CD2-CE1 3.87Å; L22-F176 HydrophobicContact CD2-CZ 3.73Å
23S94.4Very high91.1Very high16 Ų1647 Ų4711%0.11228%0.28CS..Hα-helixtrans-64.3-44.1177.8-171.90000111.7T19 F25 V26 N27T19-S23 VanDerWaalsContact O-CB 3.28Å; T19-S23 WeakPolarHBondContact O-CB 3.37Å; T19-S23 PolarHBondContact O-N 3.35Å; S23-F25 VanDerWaalsContact C-N 3.25Å; S23-F25 PolarHBondContact O-N 3.49Å; S23-V26 PolarHBondContact O-N 2.92Å; S23-N27 WeakPolarHBondContact O-CA 3.18Å; S23-N27 VanDerWaalsContact O-CB 3.28Å; S23-N27 WeakPolarHBondContact O-CB 3.44Å; S23-N27 PolarHBondContact O-N 2.79Å; S23-N27 PolarHBondContact OG-ND2 3.38Å
24A95.9Very high90Very high0 Ų051.2 Ų51.20%030%0.295CS..Hα-helixtrans-61.8-35.7175.300000112.1A20 G28 A29 A166 V172A20-A24 WeakPolarHBondContact O-CB 3.4Å; A20-A24 PolarHBondContact O-N 3.25Å; A24-G28 WeakPolarHBondContact O-CA 3.49Å; A24-G28 PolarHBondContact O-N 2.88Å; A24-G28 VanDerWaalsContact O-N 3.15Å; A24-A29 WeakPolarHBondContact CA-O 3.3Å; A24-A166 HydrophobicContact CB-CB 3.98Å; A24-V172 HydrophobicContact CB-CG1 4.11Å; A24-V172 HydrophobicContact CB-CG2 4.27Å
25F97.1Very high89.3Confident9 Ų956.4 Ų56.44%0.03931%0.314CS..Hα-helixtrans-70.7-52.2174.9176.8-120.6000111.9L21 L22 S23 K44 V46 L56 L58 V172 F176L21-F25 WeakPolarHBondContact O-CB 3.49Å; L21-F25 PolarHBondContact O-N 3.03Å; L22-F25 PolarHBondContact O-N 3.32Å; S23-F25 VanDerWaalsContact C-N 3.25Å; S23-F25 PolarHBondContact O-N 3.49Å; F25-K44 HydrophobicContact CD1-CD 4.1Å; F25-K44 HydrophobicContact CE1-CB 3.94Å; F25-K44 HydrophobicContact CE1-CD 3.74Å; F25-K44 HydrophobicContact CE1-CG 3.99Å; F25-K44 HydrophobicContact CE2-CD 4.18Å; F25-K44 HydrophobicContact CG-CD 4.47Å; F25-K44 HydrophobicContact CZ-CB 4.42Å; F25-K44 HydrophobicContact CZ-CD 3.78Å; F25-K44 HydrophobicContact CZ-CG 4.02Å; F25-K44 PolarHBondContact O-NZ 2.95Å; F25-V46 HydrophobicContact CZ-CG2 3.75Å; F25-L56 HydrophobicContact CZ-CD1 4.5Å; F25-L58 HydrophobicContact CD1-CD1 3.77Å; F25-L58 HydrophobicContact CE1-CD1 3.95Å; F25-V172 HydrophobicContact CB-CG1 3.74Å; F25-F176 HydrophobicContact CB-CD2 3.73Å; F25-F176 HydrophobicContact CB-CE2 3.38Å; F25-F176 HydrophobicContact CB-CZ 4.05Å; F25-F176 HydrophobicContact CD1-CB 4.41Å; F25-F176 AromaticContact CD1-CD1 3.91Å; F25-F176 HydrophobicContact CD1-CD1 3.91Å; F25-F176 AromaticContact CD1-CD2 3.57Å; F25-F176 HydrophobicContact CD1-CD2 3.57Å; F25-F176 HydrophobicContact CD1-CE1 4.04Å; F25-F176 AromaticContact CD1-CE2 3.74Å; F25-F176 HydrophobicContact CD1-CE2 3.74Å; F25-F176 AromaticContact CD1-CG 3.68Å; F25-F176 HydrophobicContact CD1-CG 3.68Å; F25-F176 AromaticContact CD1-CZ 3.96Å; F25-F176 HydrophobicContact CD1-CZ 3.96Å; F25-F176 HydrophobicContact CD2-CB 4.18Å; F25-F176 AromaticContact CD2-CD2 3.36Å; F25-F176 HydrophobicContact CD2-CD2 3.36Å; F25-F176 AromaticContact CD2-CE2 3.98Å; F25-F176 HydrophobicContact CD2-CE2 3.98Å; F25-F176 AromaticContact CD2-CG 3.92Å; F25-F176 HydrophobicContact CD2-CG 3.92Å; F25-F176 HydrophobicContact CE1-CB 3.91Å; F25-F176 AromaticContact CE1-CD1 3.85Å; F25-F176 HydrophobicContact CE1-CD1 3.85Å; F25-F176 AromaticContact CE1-CD2 3.95Å; F25-F176 HydrophobicContact CE1-CD2 3.95Å; F25-F176 HydrophobicContact CE1-CE1 4.39Å; F25-F176 AromaticContact CE1-CG 3.6Å; F25-F176 HydrophobicContact CE1-CG 3.6Å; F25-F176 HydrophobicContact CE2-CB 3.66Å; F25-F176 AromaticContact CE2-CD2 3.77Å; F25-F176 HydrophobicContact CE2-CD2 3.77Å; F25-F176 AromaticContact CE2-CG 3.86Å; F25-F176 HydrophobicContact CE2-CG 3.86Å; F25-F176 HydrophobicContact CG-CD1 4.45Å; F25-F176 AromaticContact CG-CD2 3.25Å; F25-F176 HydrophobicContact CG-CD2 3.25Å; F25-F176 AromaticContact CG-CE2 3.42Å; F25-F176 HydrophobicContact CG-CE2 3.42Å; F25-F176 VanDerWaalsContact CG-CE2 3.42Å; F25-F176 AromaticContact CG-CG 3.83Å; F25-F176 HydrophobicContact CG-CG 3.83Å; F25-F176 HydrophobicContact CG-CZ 4.09Å; F25-F176 HydrophobicContact CZ-CB 3.5Å; F25-F176 VanDerWaalsContact CZ-CB 3.5Å; F25-F176 HydrophobicContact CZ-CD1 4.34Å; F25-F176 HydrophobicContact CZ-CD2 4.04Å; F25-F176 AromaticContact CZ-CG 3.7Å; F25-F176 HydrophobicContact CZ-CG 3.7Å
26V95.4Very high88.8Confident40 Ų4053.1 Ų53.124%0.24230%0.303CS..Hα-helixtrans-70.5-52.7-174.4176.10000111.2L22 S23 L58L22-V26 WeakPolarHBondContact O-CB 3.49Å; L22-V26 WeakPolarHBondContact O-CG2 3.5Å; L22-V26 PolarHBondContact O-N 2.88Å; S23-V26 PolarHBondContact O-N 2.92Å; V26-L58 HydrophobicContact CG2-CD1 3.54Å
27N92.5Very high88.1Confident100 Ų10053.5 Ų53.554%0.53531%0.305SS..Hα-helixtrans-92.7-11.9-170.6-55.7-41.4000113.3S23 A29S23-N27 WeakPolarHBondContact O-CA 3.18Å; S23-N27 VanDerWaalsContact O-CB 3.28Å; S23-N27 WeakPolarHBondContact O-CB 3.44Å; S23-N27 PolarHBondContact O-N 2.79Å; S23-N27 PolarHBondContact OG-ND2 3.38Å; N27-A29 PolarHBondContact O-N 3.07Å
28G90.3Very high87.4Confident27 Ų2755.9 Ų55.928%0.27832%0.316SS..SBendtrans719.7-177.500000114.6A24 R169A24-G28 WeakPolarHBondContact O-CA 3.49Å; A24-G28 PolarHBondContact O-N 2.88Å; A24-G28 VanDerWaalsContact O-N 3.15Å; G28-R169 PolarHBondContact O-NH1 3.15Å
29A84.5Confident86.8Confident48 Ų4859 Ų5940%0.39733%0.33SS..SBendtrans-134.4145.4-176.100000111.6A24 N27A24-A29 WeakPolarHBondContact CA-O 3.3Å; N27-A29 PolarHBondContact O-N 3.07Å
30F82.1Confident86.6Confident71 Ų7162.7 Ų62.731%0.31134%0.344SS..  trans-84.6143.1168.6-175-105000109.8A20 D32 A166 L167A20-F30 HydrophobicContact CB-CD2 4.35Å; A20-F30 HydrophobicContact CB-CE2 3.84Å; F30-D32 WeakPolarHBondContact CE1-OD1 3.43Å; F30-A166 HydrophobicContact CD2-CB 3.78Å; F30-A166 HydrophobicContact CE2-CB 4Å; F30-L167 HydrophobicContact CD1-CD1 3.69Å; F30-L167 HydrophobicContact CD2-CB 4.42Å; F30-L167 HydrophobicContact CE1-CD1 3.89Å; F30-L167 HydrophobicContact CE2-CB 4.43Å; F30-L167 HydrophobicContact CG-CD1 4.19Å
31Q78.3Confident86.5Confident123 Ų12365 Ų6558%0.57536%0.355SS*.  trans-121.2121175.4-67.6178.5-1500108.6C33Q31-C33 VanDerWaalsContact C-N 3.29Å; Q31-C33 PolarHBondContact O-N 2.85Å
32D71Confident86.3Confident142 Ų14266.8 Ų66.876%0.75937%0.368SS*.  trans-72.8-20.9-179.1-71.2-55.7000113.1F30 Y34F30-D32 WeakPolarHBondContact CE1-OD1 3.43Å; D32-Y34 PolarHBondContact O-N 2.87Å
33C74.4Confident86.3Confident113 Ų11369 Ų6976%0.76439%0.388SS*.  trans-75.1109.8-179.6-62.90000110.7Q31Q31-C33 VanDerWaalsContact C-N 3.29Å; Q31-C33 PolarHBondContact O-N 2.85Å
34Y72.1Confident86.3Confident116 Ų11671.2 Ų71.246%0.45540%0.395SS..  trans-89115.2172179.3-110.4000111.1M15 D32 P36M15-Y34 HydrophobicContact CG-CE1 3.86Å; D32-Y34 PolarHBondContact O-N 2.87Å; Y34-P36 HydrophobicContact CE1-CB 4.45Å; Y34-P36 HydrophobicContact CE1-CG 3.82Å
35I79.8Confident86.3Confident138 Ų13877.5 Ų77.571%0.70842%0.424SS*.  trans-111.2127.8162.3-59.6174.3000106.3T37I35-T37 PolarHBondContact O-N 2.76Å; I35-T37 VanDerWaalsContact O-N 3.16Å
36P82.4Confident86.3Confident63 Ų6377.5 Ų77.541%0.40943%0.425SS..  trans-56.9120.1174.8-24.533.3000111.7Y34Y34-P36 HydrophobicContact CE1-CB 4.45Å; Y34-P36 HydrophobicContact CE1-CG 3.82Å
37T82.3Confident86.3Confident10 Ų1081.6 Ų81.66%0.06145%0.446CS..  trans-73.8129.6177.6-53.10000110.5T19 I35 E40 D60 G62T19-T37 PolarHBondContact OG1-OG1 3.36Å; I35-T37 PolarHBondContact O-N 2.76Å; I35-T37 VanDerWaalsContact O-N 3.16Å; T37-E40 HydrophobicContact CG2-CB 4.44Å; T37-E40 HydrophobicContact CG2-CG 4.08Å; T37-D60 HydrophobicContact CG2-CB 4.25Å; T37-D60 WeakPolarHBondContact CG2-OD2 3.42Å; T37-D60 PolarHBondContact OG1-OD2 2.85Å; T37-G62 WeakPolarHBondContact O-CA 3.48Å; T37-G62 PolarHBondContact O-N 3.12Å
38V81.7Confident86.5Confident68 Ų6877.1 Ų77.141%0.41242%0.422SS..SBendtrans-81.3-59.3165.3179.10000108.5G62 F67 I70V38-G62 PolarHBondContact O-N 3.28Å; V38-G62 VanDerWaalsContact O-N 3.13Å; V38-F67 HydrophobicContact CG1-CD1 4.24Å; V38-F67 HydrophobicContact CG1-CE1 4.33Å; V38-F67 HydrophobicContact CG2-CE1 4.06Å; V38-F67 HydrophobicContact CG2-CE2 4.45Å; V38-F67 HydrophobicContact CG2-CZ 3.93Å; V38-I70 HydrophobicContact CG1-CD1 3.61Å
39F84.1Confident86.6Confident78 Ų7880.7 Ų80.734%0.34244%0.44SS..EExtended strand (participates in β ladder)trans-167.3133.6177.8174.3-109.6000110.4T41 W59 D60 T61 I70 A74F39-T41 HydrophobicContact CE1-CG2 3.59Å; F39-T41 HydrophobicContact CE2-CG2 4.09Å; F39-T41 HydrophobicContact CZ-CG2 3.21Å; F39-W59 HydrophobicContact CE2-CB 4.16Å; F39-W59 AromaticContact CE2-CD1 3.32Å; F39-W59 AromaticContact CE2-CG 3.98Å; F39-W59 HydrophobicContact CE2-CG 3.98Å; F39-W59 AromaticContact CZ-CD1 3.33Å; F39-W59 HydrophobicContact CZ-CG 4.16Å; F39-W59 AromaticContact CZ-NE1 3.61Å; F39-D60 WeakPolarHBondContact CA-O 3.23Å; F39-D60 WeakPolarHBondContact CD2-O 3.17Å; F39-T61 HydrophobicContact CD2-CG2 4.41Å; F39-I70 HydrophobicContact CB-CG2 3.78Å; F39-I70 HydrophobicContact CG-CG2 4.29Å; F39-A74 HydrophobicContact CE2-CB 4.11Å
40E91.3Very high87Confident118 Ų11882.2 Ų82.255%0.55144%0.442SS*.EExtended strand (participates in β ladder)trans-139.1145.6173.4-69.9-177-167.600111.2T37 D60T37-E40 HydrophobicContact CG2-CB 4.44Å; T37-E40 HydrophobicContact CG2-CG 4.08Å; E40-D60 HydrophobicContact CB-CB 4.18Å; E40-D60 PolarHBondContact N-O 3.21Å; E40-D60 VanDerWaalsContact N-O 3.12Å; E40-D60 PolarHBondContact O-N 3.01Å
41T92.9Very high87.6Confident75 Ų7582.2 Ų82.246%0.4646%0.462SS..EExtended strand (participates in β ladder)trans-119.1129.4172.559.70000110.9F39 L58 W59F39-T41 HydrophobicContact CE1-CG2 3.59Å; F39-T41 HydrophobicContact CE2-CG2 4.09Å; F39-T41 HydrophobicContact CZ-CG2 3.21Å; T41-L58 VanDerWaalsContact CA-O 3.3Å; T41-L58 WeakPolarHBondContact CA-O 2.84Å; T41-W59 HydrophobicContact CG2-CD2 4.08Å; T41-W59 HydrophobicContact CG2-CG 4.2Å; T41-W59 HydrophobicContact CG2-CZ2 4.43Å
42S94.3Very high88.3Confident39 Ų3978.9 Ų78.927%0.27344%0.444SS..EExtended strand (participates in β ladder)trans-127.6167.1169.554.30000110.3G57 L58S42-G57 WeakPolarHBondContact O-CA 3.38Å; S42-L58 PolarHBondContact N-O 3.43Å; S42-L58 PolarHBondContact O-N 3.46Å; S42-L58 WeakPolarHBondContact OG-CB 3.31Å
43A94.9Very high89.4Confident55 Ų5576.4 Ų76.446%0.45543%0.427SS..EExtended strand (participates in β ladder)trans-136.4144.417300000109.8T55 L56A43-T55 HydrophobicContact CB-CG2 4.26Å; A43-L56 CarbonylContact C-O 3.39Å; A43-L56 WeakPolarHBondContact CA-O 3.25Å
44K95.8Very high90.4Very high62 Ų6271.1 Ų71.127%0.2739%0.392SS..EExtended strand (participates in β ladder)trans-144.9131.4177.8179.3154.2177.5168.10110.7F25 L56F25-K44 HydrophobicContact CD1-CD 4.1Å; F25-K44 HydrophobicContact CE1-CB 3.94Å; F25-K44 HydrophobicContact CE1-CD 3.74Å; F25-K44 HydrophobicContact CE1-CG 3.99Å; F25-K44 HydrophobicContact CE2-CD 4.18Å; F25-K44 HydrophobicContact CG-CD 4.47Å; F25-K44 HydrophobicContact CZ-CB 4.42Å; F25-K44 HydrophobicContact CZ-CD 3.78Å; F25-K44 HydrophobicContact CZ-CG 4.02Å; F25-K44 PolarHBondContact O-NZ 2.95Å; K44-L56 PolarHBondContact N-O 3Å; K44-L56 PolarHBondContact O-N 3.18Å
45E96Very high91.6Very high132 Ų13266.7 Ų66.762%0.61738%0.377SS*.EExtended strand (participates in β ladder)trans-71.9138.9169.5-69.3-17516400110.2T55E45-T55 HydrophobicContact CG-CG2 4.4Å
46V96.3Very high92.5Very high10 Ų1060.1 Ų60.16%0.06134%0.343CS..EExtended strand (participates in β ladder)trans-131.3117.6-178.8179.30000108.7F25 L48 H53 L54 L56 A180F25-V46 HydrophobicContact CZ-CG2 3.75Å; V46-L48 HydrophobicContact CG1-CD2 4.14Å; V46-H53 WeakPolarHBondContact O-CA 3.41Å; V46-H53 PolarHBondContact O-CD2 3.1Å; V46-L54 HydrophobicContact CB-CD2 3.94Å; V46-L54 HydrophobicContact CG1-CD2 4.33Å; V46-L54 PolarHBondContact N-O 3.43Å; V46-L54 PolarHBondContact O-N 2.82Å; V46-L54 VanDerWaalsContact O-N 3.15Å; V46-L56 HydrophobicContact CG2-CD1 3.66Å; V46-L56 HydrophobicContact CG2-CG 3.96Å; V46-A180 HydrophobicContact CG1-CB 4.48Å
47D95.3Very high93.2Very high125 Ų12557.1 Ų57.167%0.66832%0.323SS*.EExtended strand (participates in β ladder)trans-93.6118.5167.3-66.5-55000109.2H53D47-H53 IonicContact OD1-CD2 2.75Å; D47-H53 PolarHBondContact OD1-CD2 3.09Å; D47-H53 IonicContact OD1-CG 3.86Å
48L96.1Very high94Very high7 Ų756.6 Ų56.64%0.03732%0.32CS..  trans-84147.9176.5-66.9176.6000110.7V46 D50 G51 R52 E177 A180 R181 L184V46-L48 HydrophobicContact CG1-CD2 4.14Å; L48-D50 VanDerWaalsContact CB-OD1 3.25Å; L48-D50 WeakPolarHBondContact CB-OD1 3.45Å; L48-D50 PolarHBondContact O-N 3.41Å; L48-G51 PolarHBondContact O-N 3.33Å; L48-R52 HydrophobicContact CB-CB 4.31Å; L48-R52 WeakPolarHBondContact CB-O 3.47Å; L48-R52 HydrophobicContact CD1-CB 4.01Å; L48-R52 PolarHBondContact N-O 3.41Å; L48-E177 HydrophobicContact CD2-CB 3.96Å; L48-E177 HydrophobicContact CD2-CG 4.11Å; L48-A180 HydrophobicContact CD1-CB 4.19Å; L48-A180 HydrophobicContact CD2-CB 4.02Å; L48-A180 HydrophobicContact CG-CB 4.42Å; L48-R181 HydrophobicContact CD1-CG 3.75Å; L48-R181 HydrophobicContact CD2-CG 4.18Å; L48-L184 HydrophobicContact CD1-CD1 3.85Å
49P93Very high94.7Very high101 Ų10155.1 Ų55.166%0.65631%0.308SS*.THydrogen-bonded Turntrans-57.4-18.7176.9-28.134.4000115.6G51P49-G51 VanDerWaalsContact C-N 3.29Å
50D92.8Very high95.2Very high81 Ų8151.7 Ų51.743%0.43329%0.293SS..THydrogen-bonded Turntrans-89.310.5176.863.49.7000113.5L48 R52L48-D50 VanDerWaalsContact CB-OD1 3.25Å; L48-D50 WeakPolarHBondContact CB-OD1 3.45Å; L48-D50 PolarHBondContact O-N 3.41Å; D50-R52 VanDerWaalsContact C-N 3.32Å; D50-R52 VanDerWaalsContact CG-NE 3.34Å; D50-R52 PolarHBondContact O-N 2.93Å; D50-R52 WeakPolarHBondContact OD1-CB 3.43Å; D50-R52 WeakPolarHBondContact OD1-CG 3.45Å; D50-R52 PolarHBondContact OD1-N 2.99Å; D50-R52 IonicContact OD1-NE 3.69Å; D50-R52 PolarHBondContact OD1-NE 2.95Å; D50-R52 IonicContact OD2-CZ 3.62Å; D50-R52 IonicContact OD2-NE 2.6Å; D50-R52 PolarHBondContact OD2-NE 3.01Å; D50-R52 IonicContact OD2-NH2 3.52Å; D50-R52 PolarHBondContact OD2-NH2 3.32Å
51G94.4Very high95.2Very high71 Ų7146.1 Ų46.173%0.73227%0.267SS*.SBendtrans82.22.5177.300000114.6L48 P49L48-G51 PolarHBondContact O-N 3.33Å; P49-G51 VanDerWaalsContact C-N 3.29Å
52R94.1Very high95Very high52 Ų5242.7 Ų42.720%0.19625%0.246CC..  trans-78.3143172.4-63.7-175.3-70.4179.9-13.6110.3L48 D50 L184 D185L48-R52 HydrophobicContact CB-CB 4.31Å; L48-R52 WeakPolarHBondContact CB-O 3.47Å; L48-R52 HydrophobicContact CD1-CB 4.01Å; L48-R52 PolarHBondContact N-O 3.41Å; D50-R52 VanDerWaalsContact C-N 3.32Å; D50-R52 VanDerWaalsContact CG-NE 3.34Å; D50-R52 PolarHBondContact O-N 2.93Å; D50-R52 WeakPolarHBondContact OD1-CB 3.43Å; D50-R52 WeakPolarHBondContact OD1-CG 3.45Å; D50-R52 PolarHBondContact OD1-N 2.99Å; D50-R52 IonicContact OD1-NE 3.69Å; D50-R52 PolarHBondContact OD1-NE 2.95Å; D50-R52 IonicContact OD2-CZ 3.62Å; D50-R52 IonicContact OD2-NE 2.6Å; D50-R52 PolarHBondContact OD2-NE 3.01Å; D50-R52 IonicContact OD2-NH2 3.52Å; D50-R52 PolarHBondContact OD2-NH2 3.32Å; R52-L184 HydrophobicContact CB-CD1 3.85Å; R52-L184 HydrophobicContact CG-CD1 4.46Å; R52-D185 IonicContact CZ-OD1 3.07Å; R52-D185 IonicContact NH1-OD1 3.57Å; R52-D185 PolarHBondContact NH1-OD1 3.14Å; R52-D185 IonicContact NH2-OD1 2.83Å
53H93.9Very high94.4Very high90 Ų9041.4 Ų41.442%0.41724%0.239SC..EExtended strand (participates in β ladder)trans-130143178169.9-101.8000110.8V46 D47V46-H53 WeakPolarHBondContact O-CA 3.41Å; V46-H53 PolarHBondContact O-CD2 3.1Å; D47-H53 IonicContact OD1-CD2 2.75Å; D47-H53 PolarHBondContact OD1-CD2 3.09Å; D47-H53 IonicContact OD1-CG 3.86Å
54L95.8Very high94.1Very high3 Ų341.6 Ų41.62%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-155.915617476.9173.1000111.6R6 V46 L56 A180 L184R6-L54 HydrophobicContact CB-CD1 4.23Å; R6-L54 HydrophobicContact CG-CD1 4.15Å; V46-L54 HydrophobicContact CB-CD2 3.94Å; V46-L54 HydrophobicContact CG1-CD2 4.33Å; V46-L54 PolarHBondContact N-O 3.43Å; V46-L54 PolarHBondContact O-N 2.82Å; V46-L54 VanDerWaalsContact O-N 3.15Å; L54-L56 HydrophobicContact CD1-CD2 3.65Å; L54-L56 HydrophobicContact CG-CD2 4.02Å; L54-L56 HydrophobicContact CG-CG 4.43Å; L54-A180 HydrophobicContact CD1-CB 3.98Å; L54-A180 HydrophobicContact CD2-CB 3.54Å; L54-A180 HydrophobicContact CG-CB 4.35Å; L54-L184 HydrophobicContact CD1-CD1 4.39Å; L54-L184 HydrophobicContact CD1-CD2 4.25Å; L54-L184 HydrophobicContact CD1-CG 4.14Å; L54-L184 HydrophobicContact CD2-CD1 4.36Å
55T97.3Very high93.6Very high22 Ų2245.3 Ų45.314%0.13525%0.249CC..EExtended strand (participates in β ladder)trans-92.9122.3166.5-45.70000109.1T5 R6 A43 E45T5-T55 CarbonylContact C-O 3.58Å; T5-T55 WeakPolarHBondContact CA-O 3.38Å; T5-T55 HydrophobicContact CG2-CG2 4.29Å; R6-T55 PolarHBondContact N-O 2.88Å; A43-T55 HydrophobicContact CB-CG2 4.26Å; E45-T55 HydrophobicContact CG-CG2 4.4Å
56L98Very high93.2Very high0 Ų046.6 Ų46.60%026%0.255CS..EExtended strand (participates in β ladder)trans-88.5128.3169.1-62.6-179.2000109R6 I8 F25 A43 K44 V46 L54 L58 F176 A180 I183R6-L56 HydrophobicContact CB-CD2 4.26Å; R6-L56 CarbonylContact O-C 3.48Å; R6-L56 WeakPolarHBondContact O-CA 3.37Å; I8-L56 HydrophobicContact CD1-CD1 3.82Å; I8-L56 HydrophobicContact CD1-CD2 3.85Å; I8-L56 HydrophobicContact CD1-CG 4.3Å; I8-L56 HydrophobicContact CG1-CD2 4.34Å; F25-L56 HydrophobicContact CZ-CD1 4.5Å; A43-L56 CarbonylContact C-O 3.39Å; A43-L56 WeakPolarHBondContact CA-O 3.25Å; K44-L56 PolarHBondContact N-O 3Å; K44-L56 PolarHBondContact O-N 3.18Å; V46-L56 HydrophobicContact CG2-CD1 3.66Å; V46-L56 HydrophobicContact CG2-CG 3.96Å; L54-L56 HydrophobicContact CD1-CD2 3.65Å; L54-L56 HydrophobicContact CG-CD2 4.02Å; L54-L56 HydrophobicContact CG-CG 4.43Å; L56-L58 HydrophobicContact CB-CD2 4.05Å; L56-F176 HydrophobicContact CD1-CB 3.98Å; L56-F176 HydrophobicContact CD1-CD1 4.28Å; L56-A180 HydrophobicContact CD2-CB 4.5Å; L56-I183 HydrophobicContact CD2-CD1 4.27Å
57G97.7Very high92.9Very high0 Ų048.4 Ų48.40%026%0.262CS..EExtended strand (participates in β ladder)trans-97.6131.1163.500000108.5T5 R6 K7 I8 S42 W59T5-G57 VanDerWaalsContact CG2-N 3.31Å; R6-G57 PolarHBondContact O-N 2.78Å; K7-G57 WeakPolarHBondContact CA-O 3.47Å; I8-G57 PolarHBondContact N-O 2.81Å; S42-G57 WeakPolarHBondContact O-CA 3.38Å; G57-W59 VanDerWaalsContact C-CE3 3.41Å; G57-W59 WeakPolarHBondContact O-CZ3 3.35Å
58L97.7Very high92.7Very high0 Ų043.6 Ų43.60%024%0.236CC..EExtended strand (participates in β ladder)trans-117117.3-168-54.5172.7000108.6I8 L22 F25 V26 T41 S42 L56 F176I8-L58 HydrophobicContact CB-CD2 4.22Å; I8-L58 HydrophobicContact CD1-CD2 4.37Å; L22-L58 HydrophobicContact CD2-CB 4.02Å; L22-L58 HydrophobicContact CD2-CD1 4.14Å; L22-L58 HydrophobicContact CD2-CD2 4.32Å; L22-L58 HydrophobicContact CD2-CG 4.39Å; F25-L58 HydrophobicContact CD1-CD1 3.77Å; F25-L58 HydrophobicContact CE1-CD1 3.95Å; V26-L58 HydrophobicContact CG2-CD1 3.54Å; T41-L58 VanDerWaalsContact CA-O 3.3Å; T41-L58 WeakPolarHBondContact CA-O 2.84Å; S42-L58 PolarHBondContact N-O 3.43Å; S42-L58 PolarHBondContact O-N 3.46Å; S42-L58 WeakPolarHBondContact OG-CB 3.31Å; L56-L58 HydrophobicContact CB-CD2 4.05Å; L58-F176 HydrophobicContact CD2-CD1 3.99Å; L58-F176 HydrophobicContact CD2-CE1 3.79Å
59W97.1Very high92.5Very high37 Ų3750.8 Ų50.814%0.1427%0.27CS..EExtended strand (participates in β ladder)trans-102.9104177.7-83.5-121.6000108.4M1 K7 I8 V9 V10 F39 T41 G57 A74M1-W59 HydrophobicContact CE-CH2 3.63Å; M1-W59 HydrophobicContact CE-CZ2 4.1Å; M1-W59 HydrophobicContact CE-CZ3 4.05Å; M1-W59 HydrophobicContact SD-CH2 3.19Å; M1-W59 WeakPolarHBondContact SD-CH2 3.38Å; M1-W59 HydrophobicContact SD-CZ2 4.01Å; M1-W59 HydrophobicContact SD-CZ3 3.82Å; K7-W59 HydrophobicContact CB-CE3 4.34Å; K7-W59 HydrophobicContact CB-CH2 4.24Å; K7-W59 HydrophobicContact CB-CZ3 3.84Å; K7-W59 HydrophobicContact CD-CD2 3.98Å; K7-W59 HydrophobicContact CD-CE3 3.98Å; K7-W59 HydrophobicContact CD-CH2 3.71Å; K7-W59 HydrophobicContact CD-CZ2 3.79Å; K7-W59 HydrophobicContact CD-CZ3 3.81Å; K7-W59 VanDerWaalsContact CE-CE2 3.41Å; K7-W59 HydrophobicContact CG-CD2 3.97Å; K7-W59 HydrophobicContact CG-CE3 3.54Å; K7-W59 HydrophobicContact CG-CH2 3.91Å; K7-W59 HydrophobicContact CG-CZ2 4.38Å; K7-W59 HydrophobicContact CG-CZ3 3.47Å; K7-W59 VanDerWaalsContact CG-CZ3 3.47Å; I8-W59 PolarHBondContact O-N 2.98Å; V9-W59 HydrophobicContact CB-CB 4.42Å; V9-W59 HydrophobicContact CG1-CB 4.29Å; V9-W59 HydrophobicContact CG2-CB 4.16Å; V10-W59 PolarHBondContact N-O 2.96Å; F39-W59 HydrophobicContact CE2-CB 4.16Å; F39-W59 AromaticContact CE2-CD1 3.32Å; F39-W59 AromaticContact CE2-CG 3.98Å; F39-W59 HydrophobicContact CE2-CG 3.98Å; F39-W59 AromaticContact CZ-CD1 3.33Å; F39-W59 HydrophobicContact CZ-CG 4.16Å; F39-W59 AromaticContact CZ-NE1 3.61Å; T41-W59 HydrophobicContact CG2-CD2 4.08Å; T41-W59 HydrophobicContact CG2-CG 4.2Å; T41-W59 HydrophobicContact CG2-CZ2 4.43Å; G57-W59 VanDerWaalsContact C-CE3 3.41Å; G57-W59 WeakPolarHBondContact O-CZ3 3.35Å; W59-A74 HydrophobicContact CB-CB 4.39Å; W59-A74 HydrophobicContact CG-CB 4.42Å
60D94.7Very high92.4Very high6 Ų649.2 Ų49.23%0.03226%0.255CS..EExtended strand (participates in β ladder)trans-81.8135.8169.6-162.812.5000109.5T19 L22 T37 F39 E40T19-D60 WeakPolarHBondContact CA-OD2 3.34Å; T19-D60 WeakPolarHBondContact CB-OD2 3.31Å; T19-D60 VanDerWaalsContact CG2-OD2 3.29Å; T19-D60 WeakPolarHBondContact CG2-OD2 3.42Å; T19-D60 PolarHBondContact OG1-OD2 3.43Å; L22-D60 HydrophobicContact CD1-CB 3.4Å; T37-D60 HydrophobicContact CG2-CB 4.25Å; T37-D60 WeakPolarHBondContact CG2-OD2 3.42Å; T37-D60 PolarHBondContact OG1-OD2 2.85Å; F39-D60 WeakPolarHBondContact CA-O 3.23Å; F39-D60 WeakPolarHBondContact CD2-O 3.17Å; E40-D60 HydrophobicContact CB-CB 4.18Å; E40-D60 PolarHBondContact N-O 3.21Å; E40-D60 VanDerWaalsContact N-O 3.12Å; E40-D60 PolarHBondContact O-N 3.01Å
61T91.6Very high92.5Very high1 Ų145.6 Ų45.61%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-132143.1-175.569.70000111.3V9 V10 K18 F39 R71 A74V9-T61 HydrophobicContact CG1-CG2 4.09Å; V10-T61 PolarHBondContact O-OG1 2.84Å; K18-T61 WeakPolarHBondContact CE-O 3.32Å; F39-T61 HydrophobicContact CD2-CG2 4.41Å; T61-R71 HydrophobicContact CG2-CG 3.99Å; T61-A74 HydrophobicContact CG2-CB 3.9Å
62G87.6Confident92.5Very high2 Ų244.5 Ų44.52%0.02121%0.211CC..  trans-60.9138171.800000112T37 V38 R71T37-G62 WeakPolarHBondContact O-CA 3.48Å; T37-G62 PolarHBondContact O-N 3.12Å; V38-G62 PolarHBondContact O-N 3.28Å; V38-G62 VanDerWaalsContact O-N 3.13Å; G62-R71 PolarHBondContact O-NH1 3.03Å
63G82.1Confident92.6Very high13 Ų1348.7 Ų48.713%0.13424%0.237CC..  trans-89.2-4.6179.900000114.5G12G12-G63 WeakPolarHBondContact O-CA 3.46Å
64Q88Confident92.6Very high59 Ų5944.4 Ų44.428%0.27622%0.217SC..SBendtrans-85.7155.7177.6-56.798.7-24.900112.3E66 F67 R71Q64-E66 VanDerWaalsContact C-N 3.3Å; Q64-E66 WeakPolarHBondContact CB-OE2 3.28Å; Q64-E66 PolarHBondContact O-N 2.67Å; Q64-F67 HydrophobicContact CB-CD2 4.13Å; Q64-F67 HydrophobicContact CB-CE2 4.43Å; Q64-F67 PolarHBondContact O-N 2.79Å; Q64-R71 PolarHBondContact O-NH1 3.24Å; Q64-R71 VanDerWaalsContact O-NH1 3.08Å
65E85.4Confident92.7Very high140 Ų14044.3 Ų44.365%0.65422%0.217SC*.G310 helixtrans-68.2-30-178.2-63.9-171.8168.900112.5F67 D68E65-F67 PolarHBondContact O-N 3.24Å; E65-D68 VanDerWaalsContact CA-OD1 3.22Å; E65-D68 WeakPolarHBondContact CA-OD1 3.35Å; E65-D68 VanDerWaalsContact O-CB 3.29Å; E65-D68 WeakPolarHBondContact O-CB 3.46Å; E65-D68 PolarHBondContact O-N 3.42Å
66E88.6Confident92.6Very high158 Ų15847.4 Ų47.474%0.73824%0.237SC*.G310 helixtrans-62.6-17.4176.8-59.680.5-176.200112.2Q64Q64-E66 VanDerWaalsContact C-N 3.3Å; Q64-E66 WeakPolarHBondContact CB-OE2 3.28Å; Q64-E66 PolarHBondContact O-N 2.67Å
67F89.4Confident92.5Very high49 Ų4950.5 Ų50.522%0.21527%0.269CS..G310 helixtrans-101.78.4177.9-54.9-42000113.9V38 Q64 E65 Q69 I70 R71V38-F67 HydrophobicContact CG1-CD1 4.24Å; V38-F67 HydrophobicContact CG1-CE1 4.33Å; V38-F67 HydrophobicContact CG2-CE1 4.06Å; V38-F67 HydrophobicContact CG2-CE2 4.45Å; V38-F67 HydrophobicContact CG2-CZ 3.93Å; Q64-F67 HydrophobicContact CB-CD2 4.13Å; Q64-F67 HydrophobicContact CB-CE2 4.43Å; Q64-F67 PolarHBondContact O-N 2.79Å; E65-F67 PolarHBondContact O-N 3.24Å; F67-Q69 VanDerWaalsContact C-N 3.33Å; F67-Q69 PolarHBondContact O-N 3.21Å; F67-I70 PolarHBondContact O-N 3.32Å; F67-I70 VanDerWaalsContact O-N 3.17Å; F67-R71 WeakPolarHBondContact O-CB 3.23Å; F67-R71 PolarHBondContact O-N 3.11Å
68D91.1Very high92.5Very high24 Ų2450.9 Ų50.913%0.12827%0.272CS..Hα-helixtrans-47.5-52.2178.1-80.910.6000112.2E65 I70 R71 Q72 R241E65-D68 VanDerWaalsContact CA-OD1 3.22Å; E65-D68 WeakPolarHBondContact CA-OD1 3.35Å; E65-D68 VanDerWaalsContact O-CB 3.29Å; E65-D68 WeakPolarHBondContact O-CB 3.46Å; E65-D68 PolarHBondContact O-N 3.42Å; D68-I70 VanDerWaalsContact C-N 3.34Å; D68-I70 PolarHBondContact O-N 2.91Å; D68-R71 PolarHBondContact O-N 2.89Å; D68-R71 IonicContact OD1-CZ 3.49Å; D68-R71 IonicContact OD1-NH1 3.72Å; D68-R71 IonicContact OD1-NH2 3.94Å; D68-R71 PolarHBondContact OD1-NH2 3.43Å; D68-Q72 WeakPolarHBondContact O-CB 3.31Å; D68-Q72 WeakPolarHBondContact O-CG 3.41Å; D68-Q72 PolarHBondContact O-N 3.48Å; D68-R241 IonicContact OD2-NH1 3.64Å
69Q92.1Very high92.5Very high158 Ų15852.4 Ų52.474%0.73828%0.283SS*.Hα-helixtrans-62.5-42.2-175.5-65.1-177.72.600112F67 Q72 L73F67-Q69 VanDerWaalsContact C-N 3.33Å; F67-Q69 PolarHBondContact O-N 3.21Å; Q69-Q72 PolarHBondContact O-N 2.94Å; Q69-L73 WeakPolarHBondContact O-CG 3.16Å; Q69-L73 PolarHBondContact O-N 3.2Å
70I90.9Very high92.6Very high68 Ų6850.7 Ų50.735%0.34928%0.276SS..Hα-helixtrans-68.1-44.2-179.9-61.4175.3000109.6V38 F39 F67 D68 Q72 L73V38-I70 HydrophobicContact CG1-CD1 3.61Å; F39-I70 HydrophobicContact CB-CG2 3.78Å; F39-I70 HydrophobicContact CG-CG2 4.29Å; F67-I70 PolarHBondContact O-N 3.32Å; F67-I70 VanDerWaalsContact O-N 3.17Å; D68-I70 VanDerWaalsContact C-N 3.34Å; D68-I70 PolarHBondContact O-N 2.91Å; I70-Q72 VanDerWaalsContact C-N 3.32Å; I70-Q72 PolarHBondContact O-N 3.31Å; I70-L73 WeakPolarHBondContact O-CB 3.48Å; I70-L73 PolarHBondContact O-N 3.32Å
71R95.4Very high92.8Very high5 Ų550.4 Ų50.42%0.01928%0.275CS..Hα-helixtrans-62.3-38.9177-178.6170.864-118.45.9112.3V11 T61 G62 Q64 F67 D68 L73 A74 W100 E103V11-R71 HydrophobicContact CG1-CG 4.4Å; T61-R71 HydrophobicContact CG2-CG 3.99Å; G62-R71 PolarHBondContact O-NH1 3.03Å; Q64-R71 PolarHBondContact O-NH1 3.24Å; Q64-R71 VanDerWaalsContact O-NH1 3.08Å; F67-R71 WeakPolarHBondContact O-CB 3.23Å; F67-R71 PolarHBondContact O-N 3.11Å; D68-R71 PolarHBondContact O-N 2.89Å; D68-R71 IonicContact OD1-CZ 3.49Å; D68-R71 IonicContact OD1-NH1 3.72Å; D68-R71 IonicContact OD1-NH2 3.94Å; D68-R71 PolarHBondContact OD1-NH2 3.43Å; R71-L73 VanDerWaalsContact C-N 3.26Å; R71-L73 PolarHBondContact O-N 2.82Å; R71-A74 WeakPolarHBondContact O-CA 3.22Å; R71-A74 WeakPolarHBondContact O-CB 3.48Å; R71-A74 PolarHBondContact O-N 2.75Å; R71-W100 VanDerWaalsContact NE-CZ3 3.32Å; R71-E103 IonicContact CZ-OE1 3.36Å; R71-E103 IonicContact CZ-OE2 2.76Å; R71-E103 IonicContact NE-OE1 2.8Å; R71-E103 PolarHBondContact NE-OE1 3.44Å; R71-E103 IonicContact NE-OE2 3.69Å; R71-E103 IonicContact NH2-OE1 3.52Å; R71-E103 IonicContact NH2-OE2 2.7Å; R71-E103 PolarHBondContact NH2-OE2 3.11Å
72Q95.1Very high93.1Very high47 Ų4750.3 Ų50.322%0.2227%0.274CS..Hα-helixtrans-62.9-32.5177.4-71.6165.816.200112.7D68 Q69 I70 A74 Y75 P76 Y107D68-Q72 WeakPolarHBondContact O-CB 3.31Å; D68-Q72 WeakPolarHBondContact O-CG 3.41Å; D68-Q72 PolarHBondContact O-N 3.48Å; Q69-Q72 PolarHBondContact O-N 2.94Å; I70-Q72 VanDerWaalsContact C-N 3.32Å; I70-Q72 PolarHBondContact O-N 3.31Å; Q72-A74 PolarHBondContact O-N 3.26Å; Q72-Y75 HydrophobicContact CG-CE2 4.32Å; Q72-Y75 PolarHBondContact O-N 2.63Å; Q72-P76 WeakPolarHBondContact O-CD 3.43Å; Q72-Y107 HydrophobicContact CB-CE1 4.26Å; Q72-Y107 HydrophobicContact CB-CE2 4.14Å; Q72-Y107 VanDerWaalsContact CD-OH 3.24Å; Q72-Y107 HydrophobicContact CG-CD2 4.44Å; Q72-Y107 HydrophobicContact CG-CE2 3.6Å; Q72-Y107 PolarHBondContact OE1-OH 2.99Å
73L94.9Very high93.7Very high140 Ų14050.2 Ų50.273%0.73327%0.273SS*.Hα-helixtrans-68.9-16.6172.6-63.1172.4000113Q69 I70 R71 P76Q69-L73 WeakPolarHBondContact O-CG 3.16Å; Q69-L73 PolarHBondContact O-N 3.2Å; I70-L73 WeakPolarHBondContact O-CB 3.48Å; I70-L73 PolarHBondContact O-N 3.32Å; R71-L73 VanDerWaalsContact C-N 3.26Å; R71-L73 PolarHBondContact O-N 2.82Å; L73-P76 WeakPolarHBondContact O-CD 3.48Å
74A95.3Very high94.5Very high1 Ų149.6 Ų49.61%0.00827%0.267CS..Hα-helixtrans-78.2-20.3174.500000113K7 V9 F39 W59 T61 R71 Q72K7-A74 WeakPolarHBondContact CE-O 3.29Å; K7-A74 PolarHBondContact NZ-O 3.15Å; V9-A74 HydrophobicContact CG1-CB 4.07Å; V9-A74 VanDerWaalsContact CG2-O 3.31Å; V9-A74 WeakPolarHBondContact CG2-O 3.2Å; F39-A74 HydrophobicContact CE2-CB 4.11Å; W59-A74 HydrophobicContact CB-CB 4.39Å; W59-A74 HydrophobicContact CG-CB 4.42Å; T61-A74 HydrophobicContact CG2-CB 3.9Å; R71-A74 WeakPolarHBondContact O-CA 3.22Å; R71-A74 WeakPolarHBondContact O-CB 3.48Å; R71-A74 PolarHBondContact O-N 2.75Å; Q72-A74 PolarHBondContact O-N 3.26Å
75Y97.3Very high95Very high1 Ų146.8 Ų46.80%0.00425%0.254CS..  trans-72.7-38.6-175.3-66.6-51000116.7V9 V11 Q72 G77 A78 I81 E103 V104 Y107V9-Y75 HydrophobicContact CG1-CD1 4.17Å; V9-Y75 HydrophobicContact CG1-CE1 4.12Å; V11-Y75 HydrophobicContact CG1-CE1 3.89Å; Q72-Y75 HydrophobicContact CG-CE2 4.32Å; Q72-Y75 PolarHBondContact O-N 2.63Å; Y75-G77 PolarHBondContact O-N 3.3Å; Y75-A78 VanDerWaalsContact O-CB 3.22Å; Y75-A78 WeakPolarHBondContact O-CB 3.17Å; Y75-A78 PolarHBondContact O-N 3.45Å; Y75-I81 HydrophobicContact CD1-CD1 4.1Å; Y75-I81 HydrophobicContact CE1-CD1 4.4Å; Y75-E103 HydrophobicContact CE2-CG 3.98Å; Y75-E103 VanDerWaalsContact CE2-OE1 3.31Å; Y75-E103 WeakPolarHBondContact CE2-OE1 3.44Å; Y75-E103 PolarHBondContact OH-OE1 3.22Å; Y75-V104 HydrophobicContact CE1-CG2 3.96Å; Y75-Y107 HydrophobicContact CD2-CD1 4.32Å; Y75-Y107 AromaticContact CD2-CD2 3.5Å; Y75-Y107 HydrophobicContact CD2-CD2 3.5Å; Y75-Y107 HydrophobicContact CD2-CE2 4.28Å; Y75-Y107 AromaticContact CD2-CG 3.55Å; Y75-Y107 HydrophobicContact CD2-CG 3.55Å; Y75-Y107 AromaticContact CE2-CD2 3.88Å; Y75-Y107 HydrophobicContact CE2-CD2 3.88Å; Y75-Y107 HydrophobicContact CE2-CE2 4.47Å; Y75-Y107 HydrophobicContact CE2-CG 4.38Å; Y75-Y107 HydrophobicContact CG-CD2 4.47Å; Y75-Y107 HydrophobicContact CG-CG 4.18Å
76P95.5Very high95.6Very high86 Ų8640.1 Ų40.156%0.55822%0.223SC*.THydrogen-bonded Turntrans-54129.4-178.2-29.536.4000112.8K7 Q72 L73 A78K7-P76 PolarHBondContact NZ-O 2.97Å; Q72-P76 WeakPolarHBondContact O-CD 3.43Å; L73-P76 WeakPolarHBondContact O-CD 3.48Å; P76-A78 VanDerWaalsContact C-N 3.3Å; P76-A78 PolarHBondContact O-N 3.4Å
77G95Very high96Very high65 Ų6532.6 Ų32.667%0.6719%0.188SC*.THydrogen-bonded Turntrans75.610.6-178.800000115.1Y75 S79Y75-G77 PolarHBondContact O-N 3.3Å; G77-S79 PolarHBondContact O-N 3.05Å
78A97.8Very high96.3Very high8 Ų831.1 Ų31.17%0.06618%0.182CC..  trans-59.8132.9172.400000111.2V9 Y75 P76 I81 I111V9-A78 HydrophobicContact CG2-CB 3.79Å; Y75-A78 VanDerWaalsContact O-CB 3.22Å; Y75-A78 WeakPolarHBondContact O-CB 3.17Å; Y75-A78 PolarHBondContact O-N 3.45Å; P76-A78 VanDerWaalsContact C-N 3.3Å; P76-A78 PolarHBondContact O-N 3.4Å; A78-I81 HydrophobicContact CB-CD1 3.72Å; A78-I111 HydrophobicContact CB-CG2 4.46Å; A78-I111 WeakPolarHBondContact O-CD1 3.27Å
79S98.1Very high96.5Very high33 Ų3332.1 Ų32.123%0.23119%0.19CC..SBendtrans-91.8-27.6173.1-49.10000111.5K7 G77 P112K7-S79 PolarHBondContact N-OG 2.74Å; K7-S79 WeakPolarHBondContact O-CA 3.32Å; K7-S79 WeakPolarHBondContact O-CB 3.33Å; K7-S79 PolarHBondContact O-N 2.87Å; G77-S79 PolarHBondContact O-N 3.05Å; S79-P112 VanDerWaalsContact O-CD 3.31Å; S79-P112 WeakPolarHBondContact O-CD 3.42Å; S79-P112 VanDerWaalsContact O-CG 3.23Å; S79-P112 WeakPolarHBondContact O-CG 2.98Å
80L98.7Very high96.7Very high0 Ų026.9 Ų26.90%017%0.17CC..EExtended strand (participates in β ladder)trans-157.4148.8178.7-173.2142.4000110.7K7 I8 V9 L82 P112 I114 A179 I182 I183K7-L80 PolarHBondContact O-N 2.84Å; I8-L80 WeakPolarHBondContact CA-O 3.31Å; I8-L80 HydrophobicContact CG1-CB 4.45Å; I8-L80 HydrophobicContact CG2-CD2 4.28Å; V9-L80 PolarHBondContact N-O 3.37Å; V9-L80 VanDerWaalsContact N-O 3.14Å; L80-L82 HydrophobicContact CD2-CD2 3.48Å; L80-L82 VanDerWaalsContact CD2-CD2 3.48Å; L80-L82 HydrophobicContact CD2-CG 4.12Å; L80-P112 HydrophobicContact CB-CG 4.14Å; L80-P112 HydrophobicContact CD1-CB 4.38Å; L80-P112 HydrophobicContact CD1-CG 4.1Å; L80-P112 HydrophobicContact CG-CG 4.16Å; L80-I114 HydrophobicContact CD1-CD1 3.97Å; L80-I114 HydrophobicContact CD1-CG1 4.19Å; L80-I114 HydrophobicContact CD2-CD1 4.04Å; L80-I114 HydrophobicContact CD2-CG1 4.15Å; L80-A179 HydrophobicContact CD1-CB 3.97Å; L80-A179 HydrophobicContact CD2-CB 3.93Å; L80-I182 HydrophobicContact CD1-CB 3.97Å; L80-I182 HydrophobicContact CD1-CD1 4.4Å; L80-I182 HydrophobicContact CD1-CG2 3.85Å; L80-I183 HydrophobicContact CB-CD1 3.8Å; L80-I183 HydrophobicContact CB-CG1 3.76Å; L80-I183 HydrophobicContact CD1-CD1 4.45Å; L80-I183 HydrophobicContact CD1-CG1 4.06Å
81I98.7Very high97Very high0 Ų027.4 Ų27.40%018%0.176CC..EExtended strand (participates in β ladder)trans-114.7130.8174.5-49.4-64.3000109.9V9 V11 Y75 A78 L83 V104 C108 I111 P112 L113 I114V9-I81 HydrophobicContact CB-CD1 3.78Å; V9-I81 HydrophobicContact CG2-CD1 4.18Å; V9-I81 WeakPolarHBondContact O-CA 3.34Å; V11-I81 HydrophobicContact CG2-CG2 3.84Å; Y75-I81 HydrophobicContact CD1-CD1 4.1Å; Y75-I81 HydrophobicContact CE1-CD1 4.4Å; A78-I81 HydrophobicContact CB-CD1 3.72Å; I81-L83 HydrophobicContact CG2-CG 4.45Å; I81-V104 HydrophobicContact CB-CG1 4.31Å; I81-V104 HydrophobicContact CG1-CG1 3.86Å; I81-V104 HydrophobicContact CG2-CG1 4.12Å; I81-V104 HydrophobicContact CG2-CG2 3.97Å; I81-C108 HydrophobicContact CG1-CB 4.4Å; I81-I111 HydrophobicContact CD1-CG2 4.38Å; I81-I111 HydrophobicContact CG1-CB 4.5Å; I81-I111 HydrophobicContact CG1-CG2 3.88Å; I81-P112 PolarHBondContact N-O 2.93Å; I81-L113 HydrophobicContact CB-CD2 3.68Å; I81-L113 HydrophobicContact CG1-CD2 4.04Å; I81-L113 HydrophobicContact CG2-CD2 4.36Å; I81-L113 WeakPolarHBondContact O-CA 3.11Å; I81-I114 PolarHBondContact O-N 3Å
82L98.8Very high97.1Very high0 Ų027.1 Ų27.10%018%0.175CC..EExtended strand (participates in β ladder)trans-95.1118.9166.7-58.7-175.2000108.8I8 V9 V10 V11 L80 I114 V116 V175 F176I8-L82 HydrophobicContact CG2-CD1 3.94Å; I8-L82 HydrophobicContact CG2-CG 3.71Å; V9-L82 PolarHBondContact O-N 2.94Å; V10-L82 HydrophobicContact CB-CB 4.5Å; V10-L82 HydrophobicContact CG1-CB 4.14Å; V10-L82 HydrophobicContact CG2-CB 4.34Å; V10-L82 HydrophobicContact CG2-CD1 4.02Å; V10-L82 HydrophobicContact CG2-CG 4.46Å; V11-L82 PolarHBondContact N-O 3.49Å; L80-L82 HydrophobicContact CD2-CD2 3.48Å; L80-L82 VanDerWaalsContact CD2-CD2 3.48Å; L80-L82 HydrophobicContact CD2-CG 4.12Å; L82-I114 HydrophobicContact CD2-CB 3.74Å; L82-I114 HydrophobicContact CD2-CD1 4.07Å; L82-I114 HydrophobicContact CD2-CG1 4.3Å; L82-I114 HydrophobicContact CD2-CG2 4.25Å; L82-V116 HydrophobicContact CB-CG2 4.33Å; L82-V116 HydrophobicContact CD2-CG2 4.1Å; L82-V175 HydrophobicContact CD1-CG1 3.92Å; L82-V175 HydrophobicContact CD2-CG1 4.27Å; L82-F176 HydrophobicContact CD1-CE1 4Å; L82-F176 HydrophobicContact CD1-CZ 4.37Å
83L98.7Very high97.3Very high0 Ų025.4 Ų25.40%017%0.167CC..EExtended strand (participates in β ladder)trans-97.3107.5173.3-78.6164000108.3V11 I81 I96 W100 V104 L113 I114 L115 V116 I156V11-L83 HydrophobicContact CG2-CD2 3.63Å; V11-L83 HydrophobicContact CG2-CG 4.38Å; I81-L83 HydrophobicContact CG2-CG 4.45Å; L83-I96 HydrophobicContact CB-CD1 4.15Å; L83-I96 HydrophobicContact CB-CG2 4.29Å; L83-I96 HydrophobicContact CD1-CG2 4.23Å; L83-I96 HydrophobicContact CD2-CD1 4.28Å; L83-I96 HydrophobicContact CD2-CG2 4.4Å; L83-W100 HydrophobicContact CD2-CB 3.56Å; L83-V104 HydrophobicContact CD2-CG2 4.35Å; L83-L113 HydrophobicContact CD1-CB 4.36Å; L83-L113 HydrophobicContact CD1-CD1 3.97Å; L83-L113 HydrophobicContact CD1-CD2 4.36Å; L83-L113 HydrophobicContact CD1-CG 4.46Å; L83-I114 PolarHBondContact N-O 3.48Å; L83-L115 HydrophobicContact CB-CD1 4.32Å; L83-V116 PolarHBondContact O-N 2.91Å; L83-I156 HydrophobicContact CD1-CD1 3.84Å
84C98.7Very high97.4Very high0 Ų023.9 Ų23.90%016%0.156CC..EExtended strand (participates in β ladder)trans-103.4129.3-172.3-65.90000112.2V10 V11 G12 V16 K18 V116V10-C84 VanDerWaalsContact CG1-SG 3.57Å; V11-C84 PolarHBondContact O-N 2.97Å; G12-C84 WeakPolarHBondContact CA-O 3.19Å; V16-C84 HydrophobicContact CG2-CB 3.95Å; K18-C84 HydrophobicContact CD-CB 4.44Å; K18-C84 HydrophobicContact CG-CB 3.89Å; C84-V116 WeakPolarHBondContact CA-O 3.41Å
85Y98.6Very high97.6Very high0 Ų025.8 Ų25.80%017%0.167CC..EExtended strand (participates in β ladder)trans-120.7169166.374.1-83.6000109.1V87 L93 L115 V116 G117 C118 I144 V149 E163Y85-V87 HydrophobicContact CE2-CG1 4.22Å; Y85-L93 HydrophobicContact CD1-CD1 3.82Å; Y85-L93 HydrophobicContact CD2-CB 4.11Å; Y85-L93 HydrophobicContact CD2-CD1 4.25Å; Y85-L93 HydrophobicContact CE1-CD1 4.12Å; Y85-L93 HydrophobicContact CG-CB 4.19Å; Y85-L93 HydrophobicContact CG-CD1 3.9Å; Y85-L115 HydrophobicContact CD1-CD1 3.81Å; Y85-L115 HydrophobicContact CD1-CG 4.18Å; Y85-L115 HydrophobicContact CE1-CD1 4.14Å; Y85-L115 HydrophobicContact CE1-CD2 4.4Å; Y85-L115 HydrophobicContact CE1-CG 3.98Å; Y85-V116 WeakPolarHBondContact CD1-O 3.29Å; Y85-V116 PolarHBondContact N-O 3.46Å; Y85-G117 WeakPolarHBondContact OH-CA 3.13Å; Y85-C118 WeakPolarHBondContact O-CB 3.39Å; Y85-C118 PolarHBondContact O-N 3.07Å; Y85-I144 HydrophobicContact CD2-CD1 3.45Å; Y85-I144 VanDerWaalsContact CD2-CD1 3.45Å; Y85-I144 HydrophobicContact CE2-CD1 3.64Å; Y85-V149 HydrophobicContact CE1-CG1 4.17Å; Y85-V149 HydrophobicContact CE2-CG2 4.07Å; Y85-V149 VanDerWaalsContact OH-CG1 3.26Å; Y85-V149 WeakPolarHBondContact OH-CG1 3.46Å; Y85-V149 VanDerWaalsContact OH-CG2 3.22Å; Y85-V149 WeakPolarHBondContact OH-CG2 3.34Å; Y85-E163 PolarHBondContact OH-OE1 3.33Å; Y85-E163 VanDerWaalsContact OH-OE1 3.13Å
86A98Very high97.6Very high0 Ų025.8 Ų25.80%017%0.167CC..EExtended strand (participates in β ladder)trans-109.5135.717100000110.9V16 D88 C89 S92 K119 I144V16-A86 HydrophobicContact CB-CB 4.06Å; V16-A86 HydrophobicContact CG1-CB 4.24Å; A86-D88 VanDerWaalsContact CB-OD1 3.3Å; A86-D88 WeakPolarHBondContact CB-OD1 3.21Å; A86-D88 PolarHBondContact O-N 2.97Å; A86-C89 HydrophobicContact CB-CB 4.12Å; A86-C89 PolarHBondContact O-N 2.96Å; A86-S92 PolarHBondContact N-OG 3.06Å; A86-K119 HydrophobicContact CB-CD 4.04Å; A86-K119 HydrophobicContact CB-CG 4.36Å; A86-I144 VanDerWaalsContact O-CD1 3.29Å; A86-I144 WeakPolarHBondContact O-CD1 3.2Å
87V97.5Very high97.7Very high0 Ų022.5 Ų22.50%015%0.145CC..THydrogen-bonded Turntrans-60.9-20.1-175.3-61.50000114.2Y85 C118 K119 K122 R123 L143 I144 E163Y85-V87 HydrophobicContact CE2-CG1 4.22Å; V87-C118 WeakPolarHBondContact CG1-O 3.48Å; V87-C118 PolarHBondContact N-O 3.4Å; V87-K119 HydrophobicContact CG2-CB 4.39Å; V87-K119 WeakPolarHBondContact CG2-O 3.14Å; V87-K122 HydrophobicContact CG2-CB 4.29Å; V87-R123 HydrophobicContact CB-CG 4.44Å; V87-R123 HydrophobicContact CG2-CG 4.22Å; V87-L143 HydrophobicContact CG2-CD2 4.3Å; V87-L143 WeakPolarHBondContact O-CA 3.19Å; V87-L143 WeakPolarHBondContact O-CD2 3.42Å; V87-I144 PolarHBondContact O-N 3.4Å; V87-E163 HydrophobicContact CG1-CG 4.47Å; V87-E163 WeakPolarHBondContact CG1-OE1 3.42Å
88D95.8Very high97.8Very high17 Ų1725.9 Ų25.99%0.09114%0.143CC..THydrogen-bonded Turntrans-99.89.2178.268.4-39.8000113.6A86 K119 K122 L143A86-D88 VanDerWaalsContact CB-OD1 3.3Å; A86-D88 WeakPolarHBondContact CB-OD1 3.21Å; A86-D88 PolarHBondContact O-N 2.97Å; D88-K119 IonicContact OD1-NZ 2.85Å; D88-K122 HydrophobicContact CB-CD 3.67Å; D88-K122 VanDerWaalsContact CG-CD 3.4Å; D88-K122 WeakPolarHBondContact OD2-CD 3.35Å; D88-K122 WeakPolarHBondContact OD2-CE 3.34Å; D88-K122 IonicContact OD2-NZ 3.2Å; D88-K122 PolarHBondContact OD2-NZ 2.94Å; D88-L143 HydrophobicContact CB-CD2 4.11Å
89C95.9Very high97.7Very high45 Ų4528.3 Ų28.330%0.30416%0.157SC..  trans-13485.5-177.4-174.20000110.8A86 T91 S92A86-C89 HydrophobicContact CB-CB 4.12Å; A86-C89 PolarHBondContact O-N 2.96Å; C89-T91 VanDerWaalsContact C-N 3.28Å; C89-T91 PolarHBondContact O-N 3.44Å; C89-S92 WeakPolarHBondContact O-CB 3.49Å; C89-S92 PolarHBondContact O-N 3.3Å; C89-S92 PolarHBondContact O-OG 2.8Å
90P96.5Very high97.7Very high49 Ų4927 Ų2732%0.31815%0.147SC..Hα-helixtrans-51.4-42.8179.9-29.636.6000114.3S92 L93 E94 A142 I144P90-S92 PolarHBondContact O-N 3.25Å; P90-L93 WeakPolarHBondContact O-CB 3.42Å; P90-L93 PolarHBondContact O-N 3.33Å; P90-E94 PolarHBondContact O-N 2.96Å; P90-E94 VanDerWaalsContact O-N 3.14Å; P90-A142 WeakPolarHBondContact CG-O 3.39Å; P90-I144 HydrophobicContact CB-CG1 4.3Å; P90-I144 HydrophobicContact CG-CG1 4.11Å
91T96.7Very high97.6Very high78 Ų7828.2 Ų28.248%0.47915%0.154SC..Hα-helixtrans-56.8-35.3176.8-51.90000112.6C89 L93 E94 N95C89-T91 VanDerWaalsContact C-N 3.28Å; C89-T91 PolarHBondContact O-N 3.44Å; T91-L93 VanDerWaalsContact C-N 3.27Å; T91-L93 PolarHBondContact O-N 3.36Å; T91-E94 PolarHBondContact O-N 3.31Å; T91-N95 WeakPolarHBondContact O-CB 3.2Å; T91-N95 VanDerWaalsContact O-CG 3.24Å; T91-N95 PolarHBondContact O-N 2.77Å; T91-N95 PolarHBondContact O-ND2 3.22Å
92S97.9Very high97.5Very high0 Ų033.6 Ų33.60%018%0.182CC..Hα-helixtrans-67.3-27.3177.972.10000113.5D13 A86 C89 P90 I96D13-S92 WeakPolarHBondContact OD2-CA 3.45Å; A86-S92 PolarHBondContact N-OG 3.06Å; C89-S92 WeakPolarHBondContact O-CB 3.49Å; C89-S92 PolarHBondContact O-N 3.3Å; C89-S92 PolarHBondContact O-OG 2.8Å; P90-S92 PolarHBondContact O-N 3.25Å; S92-I96 WeakPolarHBondContact O-CG1 3.27Å
93L98.4Very high97.5Very high10 Ų1034.8 Ų34.85%0.05219%0.188CC..Hα-helixtrans-78.4-40.9172.9-179.969.1000111.2Y85 P90 T91 N95 I96 L115 I144 V149 V152Y85-L93 HydrophobicContact CD1-CD1 3.82Å; Y85-L93 HydrophobicContact CD2-CB 4.11Å; Y85-L93 HydrophobicContact CD2-CD1 4.25Å; Y85-L93 HydrophobicContact CE1-CD1 4.12Å; Y85-L93 HydrophobicContact CG-CB 4.19Å; Y85-L93 HydrophobicContact CG-CD1 3.9Å; P90-L93 WeakPolarHBondContact O-CB 3.42Å; P90-L93 PolarHBondContact O-N 3.33Å; T91-L93 VanDerWaalsContact C-N 3.27Å; T91-L93 PolarHBondContact O-N 3.36Å; L93-N95 VanDerWaalsContact C-N 3.29Å; L93-N95 PolarHBondContact O-N 2.82Å; L93-I96 VanDerWaalsContact O-CB 3.27Å; L93-I96 WeakPolarHBondContact O-CB 3.28Å; L93-I96 PolarHBondContact O-N 3.24Å; L93-I96 VanDerWaalsContact O-N 3.12Å; L93-L115 HydrophobicContact CD1-CD1 4.47Å; L93-L115 HydrophobicContact CD1-CD2 4.35Å; L93-I144 HydrophobicContact CB-CD1 3.77Å; L93-I144 HydrophobicContact CD2-CD1 4.34Å; L93-I144 HydrophobicContact CD2-CG2 3.52Å; L93-V149 HydrophobicContact CD2-CG2 4.1Å; L93-V152 HydrophobicContact CD1-CB 3.99Å; L93-V152 HydrophobicContact CD1-CG1 3.77Å; L93-V152 HydrophobicContact CD1-CG2 4.18Å; L93-V152 HydrophobicContact CD2-CG2 4.11Å; L93-V152 HydrophobicContact CG-CB 4.38Å; L93-V152 HydrophobicContact CG-CG1 4.4Å; L93-V152 HydrophobicContact CG-CG2 4Å
94E97.9Very high97.4Very high108 Ų10834.8 Ų34.851%0.50519%0.188SC..Hα-helixtrans-58.5-43.6174.6-67171.9-178.600111P90 T91 I96 V97 H98P90-E94 PolarHBondContact O-N 2.96Å; P90-E94 VanDerWaalsContact O-N 3.14Å; T91-E94 PolarHBondContact O-N 3.31Å; E94-I96 PolarHBondContact O-N 2.96Å; E94-V97 PolarHBondContact O-N 2.88Å; E94-H98 PolarHBondContact O-CD2 3.3Å; E94-H98 VanDerWaalsContact O-CD2 3.27Å; E94-H98 PolarHBondContact O-N 3.14Å; E94-H98 VanDerWaalsContact O-N 3.09Å
95N98.2Very high97.4Very high42 Ų4238.5 Ų38.523%0.22520%0.204CC..Hα-helixtrans-64.5-22.8177.8-73-17000113.2D13 T91 L93 V97 T99 W100D13-N95 WeakPolarHBondContact OD1-CB 3.29Å; D13-N95 PolarHBondContact OD1-ND2 2.61Å; D13-N95 PolarHBondContact OD2-ND2 2.73Å; T91-N95 WeakPolarHBondContact O-CB 3.2Å; T91-N95 VanDerWaalsContact O-CG 3.24Å; T91-N95 PolarHBondContact O-N 2.77Å; T91-N95 PolarHBondContact O-ND2 3.22Å; L93-N95 VanDerWaalsContact C-N 3.29Å; L93-N95 PolarHBondContact O-N 2.82Å; N95-V97 PolarHBondContact O-N 2.89Å; N95-T99 WeakPolarHBondContact O-CA 3.45Å; N95-T99 WeakPolarHBondContact O-CB 3.41Å; N95-T99 PolarHBondContact O-N 3.35Å; N95-W100 PolarHBondContact O-N 3.28Å
96I98.6Very high97.2Very high0 Ų041.2 Ų41.20%022%0.222CC..Iπ-helixtrans-56.8-43.9171.3-63.8-53.1000110L83 S92 L93 E94 W100 L101 L115 V152 I156L83-I96 HydrophobicContact CB-CD1 4.15Å; L83-I96 HydrophobicContact CB-CG2 4.29Å; L83-I96 HydrophobicContact CD1-CG2 4.23Å; L83-I96 HydrophobicContact CD2-CD1 4.28Å; L83-I96 HydrophobicContact CD2-CG2 4.4Å; S92-I96 WeakPolarHBondContact O-CG1 3.27Å; L93-I96 VanDerWaalsContact O-CB 3.27Å; L93-I96 WeakPolarHBondContact O-CB 3.28Å; L93-I96 PolarHBondContact O-N 3.24Å; L93-I96 VanDerWaalsContact O-N 3.12Å; E94-I96 PolarHBondContact O-N 2.96Å; I96-W100 HydrophobicContact CD1-CB 4.46Å; I96-W100 HydrophobicContact CD1-CG 4.38Å; I96-L101 WeakPolarHBondContact O-CB 3.41Å; I96-L101 PolarHBondContact O-N 3.46Å; I96-L115 HydrophobicContact CG1-CD1 4.16Å; I96-L115 HydrophobicContact CG2-CD1 4.08Å; I96-V152 HydrophobicContact CB-CG1 4.46Å; I96-V152 HydrophobicContact CG2-CG1 4.24Å; I96-I156 HydrophobicContact CG2-CD1 3.81Å; I96-I156 HydrophobicContact CG2-CG2 4.22Å
97V97.8Very high97.2Very high18 Ų1845.4 Ų45.411%0.10924%0.239CC..Iπ-helixtrans-76.8-47.6-178.9176.90000111.1E94 N95 V152 I156E94-V97 PolarHBondContact O-N 2.88Å; N95-V97 PolarHBondContact O-N 2.89Å; V97-V152 HydrophobicContact CG2-CB 4.47Å; V97-V152 HydrophobicContact CG2-CG1 3.76Å; V97-V152 HydrophobicContact CG2-CG2 4.09Å; V97-I156 HydrophobicContact CG2-CG2 4.17Å
98H96Very high97.2Very high136 Ų13645.6 Ų45.663%0.6324%0.24SC*.Iπ-helixtrans-85.9-19.4-167.4-66.7-55.6000115E94E94-H98 PolarHBondContact O-CD2 3.3Å; E94-H98 VanDerWaalsContact O-CD2 3.27Å; E94-H98 PolarHBondContact O-N 3.14Å; E94-H98 VanDerWaalsContact O-N 3.09Å
99T96.1Very high97.2Very high59 Ų5948.1 Ų48.136%0.36226%0.257SS..Iπ-helixtrans-128.7-60.1-174.2-54.80000110.9N95 E103N95-T99 WeakPolarHBondContact O-CA 3.45Å; N95-T99 WeakPolarHBondContact O-CB 3.41Å; N95-T99 PolarHBondContact O-N 3.35Å; T99-E103 PolarHBondContact O-N 3.3Å
100W97.8Very high97.1Very high6 Ų654.2 Ų54.22%0.02328%0.281CS..Iπ-helixtrans-71-38.8-168.7-61.5106.5000113.3V11 G12 D13 R71 L83 N95 I96 V104V11-W100 HydrophobicContact CB-CE3 3.89Å; V11-W100 HydrophobicContact CB-CZ3 4.12Å; V11-W100 HydrophobicContact CG2-CE3 4.23Å; G12-W100 VanDerWaalsContact CA-CE2 3.42Å; G12-W100 WeakPolarHBondContact O-CH2 3.43Å; G12-W100 WeakPolarHBondContact O-CZ2 3.36Å; D13-W100 PolarHBondContact OD1-NE1 3.13Å; R71-W100 VanDerWaalsContact NE-CZ3 3.32Å; L83-W100 HydrophobicContact CD2-CB 3.56Å; N95-W100 PolarHBondContact O-N 3.28Å; I96-W100 HydrophobicContact CD1-CB 4.46Å; I96-W100 HydrophobicContact CD1-CG 4.38Å; W100-V104 VanDerWaalsContact O-CB 3.31Å; W100-V104 WeakPolarHBondContact O-CB 3.42Å; W100-V104 VanDerWaalsContact O-CG2 3.22Å; W100-V104 WeakPolarHBondContact O-CG2 2.96Å; W100-V104 PolarHBondContact O-N 3.17Å
101L98Very high97.2Very high25 Ų2553.9 Ų53.913%0.13128%0.277CS..Hα-helixtrans-61.8-46.9178.5-179.264.8000111.6I96 V104 K105 L113 I156I96-L101 WeakPolarHBondContact O-CB 3.41Å; I96-L101 PolarHBondContact O-N 3.46Å; L101-V104 PolarHBondContact O-N 3.38Å; L101-K105 HydrophobicContact CD1-CD 4.49Å; L101-K105 HydrophobicContact CD1-CG 3.79Å; L101-K105 HydrophobicContact CG-CG 4.21Å; L101-K105 VanDerWaalsContact O-CB 3.32Å; L101-K105 WeakPolarHBondContact O-CB 3.22Å; L101-K105 VanDerWaalsContact O-CG 3.3Å; L101-K105 WeakPolarHBondContact O-CG 3.31Å; L101-K105 PolarHBondContact O-N 3.01Å; L101-L113 HydrophobicContact CD1-CD1 3.92Å; L101-I156 HydrophobicContact CD1-CB 4.03Å; L101-I156 HydrophobicContact CD1-CG2 4.46Å; L101-I156 HydrophobicContact CD2-CB 4.06Å; L101-I156 HydrophobicContact CD2-CG2 3.83Å
102D96.5Very high97.3Very high113 Ų11350.8 Ų50.860%0.60426%0.258SS*.Hα-helixtrans-63.4-44.3-178.3-79.9-9.6000111.4C106D102-C106 PolarHBondContact O-N 2.93Å; D102-C106 VanDerWaalsContact O-N 3.1Å
103E97.3Very high97.3Very high25 Ų2550.9 Ų50.912%0.11726%0.258CS..Hα-helixtrans-60.3-53.2174.4-173-176.7116.900110.6R71 Y75 T99 K105 C106 Y107R71-E103 IonicContact CZ-OE1 3.36Å; R71-E103 IonicContact CZ-OE2 2.76Å; R71-E103 IonicContact NE-OE1 2.8Å; R71-E103 PolarHBondContact NE-OE1 3.44Å; R71-E103 IonicContact NE-OE2 3.69Å; R71-E103 IonicContact NH2-OE1 3.52Å; R71-E103 IonicContact NH2-OE2 2.7Å; R71-E103 PolarHBondContact NH2-OE2 3.11Å; Y75-E103 HydrophobicContact CE2-CG 3.98Å; Y75-E103 VanDerWaalsContact CE2-OE1 3.31Å; Y75-E103 WeakPolarHBondContact CE2-OE1 3.44Å; Y75-E103 PolarHBondContact OH-OE1 3.22Å; T99-E103 PolarHBondContact O-N 3.3Å; E103-K105 VanDerWaalsContact C-N 3.33Å; E103-K105 PolarHBondContact O-N 3.22Å; E103-C106 VanDerWaalsContact O-CB 3.24Å; E103-C106 WeakPolarHBondContact O-CB 3.45Å; E103-C106 PolarHBondContact O-N 2.86Å; E103-C106 VanDerWaalsContact O-N 3.14Å; E103-Y107 WeakPolarHBondContact O-CD2 3.44Å
104V97.9Very high97.4Very high0 Ų050.4 Ų50.40%026%0.256CS..Hα-helixtrans-59.6-43.8-178.5167.70000111.2V11 Y75 I81 L83 W100 L101 C106 Y107 C108 L113V11-V104 HydrophobicContact CG2-CG2 3.84Å; Y75-V104 HydrophobicContact CE1-CG2 3.96Å; I81-V104 HydrophobicContact CB-CG1 4.31Å; I81-V104 HydrophobicContact CG1-CG1 3.86Å; I81-V104 HydrophobicContact CG2-CG1 4.12Å; I81-V104 HydrophobicContact CG2-CG2 3.97Å; L83-V104 HydrophobicContact CD2-CG2 4.35Å; W100-V104 VanDerWaalsContact O-CB 3.31Å; W100-V104 WeakPolarHBondContact O-CB 3.42Å; W100-V104 VanDerWaalsContact O-CG2 3.22Å; W100-V104 WeakPolarHBondContact O-CG2 2.96Å; W100-V104 PolarHBondContact O-N 3.17Å; L101-V104 PolarHBondContact O-N 3.38Å; V104-C106 VanDerWaalsContact C-N 3.27Å; V104-C106 PolarHBondContact O-N 3.27Å; V104-Y107 PolarHBondContact O-N 3.05Å; V104-C108 HydrophobicContact CG1-CB 4.14Å; V104-C108 WeakPolarHBondContact O-CA 3.24Å; V104-C108 VanDerWaalsContact O-CB 3.27Å; V104-C108 WeakPolarHBondContact O-CB 3.32Å; V104-C108 PolarHBondContact O-N 2.9Å; V104-L113 HydrophobicContact CG1-CD2 3.83Å
105K97.2Very high97.4Very high78 Ų7845.3 Ų45.334%0.33923%0.232SC..Hα-helixtrans-69.8-22.7-179.1-71.5-60.8-171.2-171.50113.4L101 E103 Y107 P109L101-K105 HydrophobicContact CD1-CD 4.49Å; L101-K105 HydrophobicContact CD1-CG 3.79Å; L101-K105 HydrophobicContact CG-CG 4.21Å; L101-K105 VanDerWaalsContact O-CB 3.32Å; L101-K105 WeakPolarHBondContact O-CB 3.22Å; L101-K105 VanDerWaalsContact O-CG 3.3Å; L101-K105 WeakPolarHBondContact O-CG 3.31Å; L101-K105 PolarHBondContact O-N 3.01Å; E103-K105 VanDerWaalsContact C-N 3.33Å; E103-K105 PolarHBondContact O-N 3.22Å; K105-Y107 VanDerWaalsContact C-N 3.35Å; K105-P109 PolarHBondContact NZ-O 3.49Å; K105-P109 VanDerWaalsContact NZ-O 3.09Å
106C96.1Very high97.4Very high56 Ų5643.3 Ų43.338%0.37822%0.221SC..Hα-helixtrans-61.9-42.4171.1-1720000111.9D102 E103 V104D102-C106 PolarHBondContact O-N 2.93Å; D102-C106 VanDerWaalsContact O-N 3.1Å; E103-C106 VanDerWaalsContact O-CB 3.24Å; E103-C106 WeakPolarHBondContact O-CB 3.45Å; E103-C106 PolarHBondContact O-N 2.86Å; E103-C106 VanDerWaalsContact O-N 3.14Å; V104-C106 VanDerWaalsContact C-N 3.27Å; V104-C106 PolarHBondContact O-N 3.27Å
107Y97Very high97.4Very high88 Ų8843.3 Ų43.335%0.34522%0.221SC..Hα-helixtrans-98.9-29.8-175.8-65.2-85.9000113.9Q72 Y75 E103 V104 K105 P109Q72-Y107 HydrophobicContact CB-CE1 4.26Å; Q72-Y107 HydrophobicContact CB-CE2 4.14Å; Q72-Y107 VanDerWaalsContact CD-OH 3.24Å; Q72-Y107 HydrophobicContact CG-CD2 4.44Å; Q72-Y107 HydrophobicContact CG-CE2 3.6Å; Q72-Y107 PolarHBondContact OE1-OH 2.99Å; Y75-Y107 HydrophobicContact CD2-CD1 4.32Å; Y75-Y107 AromaticContact CD2-CD2 3.5Å; Y75-Y107 HydrophobicContact CD2-CD2 3.5Å; Y75-Y107 HydrophobicContact CD2-CE2 4.28Å; Y75-Y107 AromaticContact CD2-CG 3.55Å; Y75-Y107 HydrophobicContact CD2-CG 3.55Å; Y75-Y107 AromaticContact CE2-CD2 3.88Å; Y75-Y107 HydrophobicContact CE2-CD2 3.88Å; Y75-Y107 HydrophobicContact CE2-CE2 4.47Å; Y75-Y107 HydrophobicContact CE2-CG 4.38Å; Y75-Y107 HydrophobicContact CG-CD2 4.47Å; Y75-Y107 HydrophobicContact CG-CG 4.18Å; E103-Y107 WeakPolarHBondContact O-CD2 3.44Å; V104-Y107 PolarHBondContact O-N 3.05Å; K105-Y107 VanDerWaalsContact C-N 3.35Å; Y107-P109 VanDerWaalsContact C-CD 3.48Å
108C96.9Very high97.4Very high4 Ų442.6 Ų42.63%0.02722%0.217CC..  trans-130.957-168.3-65.40000111.9I81 V104 Q110 I111I81-C108 HydrophobicContact CG1-CB 4.4Å; V104-C108 HydrophobicContact CG1-CB 4.14Å; V104-C108 WeakPolarHBondContact O-CA 3.24Å; V104-C108 VanDerWaalsContact O-CB 3.27Å; V104-C108 WeakPolarHBondContact O-CB 3.32Å; V104-C108 PolarHBondContact O-N 2.9Å; C108-Q110 VanDerWaalsContact C-N 3.29Å; C108-Q110 PolarHBondContact O-N 2.69Å; C108-I111 HydrophobicContact CB-CB 3.82Å; C108-I111 HydrophobicContact CB-CG1 3.61Å; C108-I111 PolarHBondContact O-N 2.83Å
109P96.1Very high97.5Very high70 Ų7038.8 Ų38.846%0.45520%0.199SC..THydrogen-bonded Turntrans-61.2-34.7-169.322.6-34.2000114.1K105 Y107K105-P109 PolarHBondContact NZ-O 3.49Å; K105-P109 VanDerWaalsContact NZ-O 3.09Å; Y107-P109 VanDerWaalsContact C-CD 3.48Å
110Q95.3Very high97.5Very high173 Ų17336.9 Ų36.981%0.80819%0.189SC*.THydrogen-bonded Turntrans-110.74.7-175.3-58.2-58.9-3100113.6C108C108-Q110 VanDerWaalsContact C-N 3.29Å; C108-Q110 PolarHBondContact O-N 2.69Å
111I98Very high97.3Very high43 Ų4338.1 Ų38.122%0.22120%0.196CC..SBendtrans-77.8136-179.4-58-52000108.8A78 I81 C108A78-I111 HydrophobicContact CB-CG2 4.46Å; A78-I111 WeakPolarHBondContact O-CD1 3.27Å; I81-I111 HydrophobicContact CD1-CG2 4.38Å; I81-I111 HydrophobicContact CG1-CB 4.5Å; I81-I111 HydrophobicContact CG1-CG2 3.88Å; C108-I111 HydrophobicContact CB-CB 3.82Å; C108-I111 HydrophobicContact CB-CG1 3.61Å; C108-I111 PolarHBondContact O-N 2.83Å
112P98.5Very high97.1Very high13 Ų1340.5 Ų40.58%0.08421%0.205CC..  trans-62.8145.9178.227.5-37.4000111.9S79 L80 I81 I182S79-P112 VanDerWaalsContact O-CD 3.31Å; S79-P112 WeakPolarHBondContact O-CD 3.42Å; S79-P112 VanDerWaalsContact O-CG 3.23Å; S79-P112 WeakPolarHBondContact O-CG 2.98Å; L80-P112 HydrophobicContact CB-CG 4.14Å; L80-P112 HydrophobicContact CD1-CB 4.38Å; L80-P112 HydrophobicContact CD1-CG 4.1Å; L80-P112 HydrophobicContact CG-CG 4.16Å; I81-P112 PolarHBondContact N-O 2.93Å; P112-I182 HydrophobicContact CB-CG2 3.63Å; P112-I182 HydrophobicContact CG-CG2 3.83Å
113L98.8Very high96.8Very high2 Ų237.6 Ų37.61%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-117.4139.6-178.8-51.9179.7000109.8I81 L83 L101 V104 A158 Q159I81-L113 HydrophobicContact CB-CD2 3.68Å; I81-L113 HydrophobicContact CG1-CD2 4.04Å; I81-L113 HydrophobicContact CG2-CD2 4.36Å; I81-L113 WeakPolarHBondContact O-CA 3.11Å; L83-L113 HydrophobicContact CD1-CB 4.36Å; L83-L113 HydrophobicContact CD1-CD1 3.97Å; L83-L113 HydrophobicContact CD1-CD2 4.36Å; L83-L113 HydrophobicContact CD1-CG 4.46Å; L101-L113 HydrophobicContact CD1-CD1 3.92Å; V104-L113 HydrophobicContact CG1-CD2 3.83Å; L113-A158 WeakPolarHBondContact O-CA 3.19Å; L113-Q159 PolarHBondContact O-N 3.49Å
114I98.8Very high95.8Very high0 Ų042 Ų420%021%0.214CC..EExtended strand (participates in β ladder)trans-119.2129.9164.4-59.9179.2000107.9L80 I81 L82 L83 V116 I160 I162 A179 I182L80-I114 HydrophobicContact CD1-CD1 3.97Å; L80-I114 HydrophobicContact CD1-CG1 4.19Å; L80-I114 HydrophobicContact CD2-CD1 4.04Å; L80-I114 HydrophobicContact CD2-CG1 4.15Å; I81-I114 PolarHBondContact O-N 3Å; L82-I114 HydrophobicContact CD2-CB 3.74Å; L82-I114 HydrophobicContact CD2-CD1 4.07Å; L82-I114 HydrophobicContact CD2-CG1 4.3Å; L82-I114 HydrophobicContact CD2-CG2 4.25Å; L83-I114 PolarHBondContact N-O 3.48Å; I114-V116 HydrophobicContact CG2-CG2 3.82Å; I114-I160 WeakPolarHBondContact CA-O 3.34Å; I114-I160 HydrophobicContact CG1-CB 4.34Å; I114-I160 HydrophobicContact CG2-CB 4.2Å; I114-I160 HydrophobicContact CG2-CG2 4.23Å; I114-I160 WeakPolarHBondContact CG2-O 3.22Å; I114-I162 HydrophobicContact CG2-CG2 4.03Å; I114-A179 HydrophobicContact CD1-CB 3.82Å; I114-I182 HydrophobicContact CD1-CD1 3.89Å; I114-I182 HydrophobicContact CG1-CD1 3.98Å
115L98.9Very high94.3Very high0 Ų048 Ų480%025%0.25CS..EExtended strand (participates in β ladder)trans-86.4122.9171.3-17661.8000109L83 Y85 L93 I96 V149 V152 I156 A158 I160 V161 I162L83-L115 HydrophobicContact CB-CD1 4.32Å; Y85-L115 HydrophobicContact CD1-CD1 3.81Å; Y85-L115 HydrophobicContact CD1-CG 4.18Å; Y85-L115 HydrophobicContact CE1-CD1 4.14Å; Y85-L115 HydrophobicContact CE1-CD2 4.4Å; Y85-L115 HydrophobicContact CE1-CG 3.98Å; L93-L115 HydrophobicContact CD1-CD1 4.47Å; L93-L115 HydrophobicContact CD1-CD2 4.35Å; I96-L115 HydrophobicContact CG1-CD1 4.16Å; I96-L115 HydrophobicContact CG2-CD1 4.08Å; L115-V149 HydrophobicContact CD2-CG1 4.16Å; L115-V152 HydrophobicContact CD2-CB 4.48Å; L115-V152 HydrophobicContact CD2-CG1 4.14Å; L115-I156 HydrophobicContact CB-CD1 4.3Å; L115-I156 HydrophobicContact CD1-CD1 4.17Å; L115-A158 HydrophobicContact CB-CB 4.07Å; L115-I160 PolarHBondContact N-O 2.87Å; L115-V161 HydrophobicContact CB-CB 4.3Å; L115-V161 HydrophobicContact CB-CG2 4.07Å; L115-V161 HydrophobicContact CD2-CG2 3.92Å; L115-V161 HydrophobicContact CG-CG2 4.08Å; L115-V161 WeakPolarHBondContact O-CA 3.49Å; L115-I162 PolarHBondContact O-N 3.42Å
116V98.8Very high92.5Very high0 Ų048.3 Ų48.30%026%0.255CS..EExtended strand (participates in β ladder)trans-119.4117-175.6-1750000110.5L21 L82 L83 C84 Y85 I114 I162 V175L21-V116 HydrophobicContact CD2-CG1 4.02Å; L82-V116 HydrophobicContact CB-CG2 4.33Å; L82-V116 HydrophobicContact CD2-CG2 4.1Å; L83-V116 PolarHBondContact O-N 2.91Å; C84-V116 WeakPolarHBondContact CA-O 3.41Å; Y85-V116 WeakPolarHBondContact CD1-O 3.29Å; Y85-V116 PolarHBondContact N-O 3.46Å; I114-V116 HydrophobicContact CG2-CG2 3.82Å; V116-I162 CarbonylContact C-O 3.6Å; V116-I162 VanDerWaalsContact CA-O 3.31Å; V116-I162 WeakPolarHBondContact CA-O 3.33Å; V116-I162 HydrophobicContact CG2-CG2 4.36Å; V116-V175 HydrophobicContact CG1-CG2 4.22Å; V116-V175 HydrophobicContact CG2-CG1 4.09Å
117G98.6Very high90.4Very high0 Ų048.6 Ų48.60%026%0.261CS..EExtended strand (participates in β ladder)trans-88.3109.1171.500000111.3Y85 I162 E163 C164Y85-G117 WeakPolarHBondContact OH-CA 3.13Å; G117-I162 PolarHBondContact N-O 2.99Å; G117-E163 CarbonylContact O-C 3.58Å; G117-E163 WeakPolarHBondContact O-CA 3.49Å; G117-C164 PolarHBondContact O-N 2.95Å
118C98Very high88Confident4 Ų451.1 Ų51.13%0.02729%0.288CS..EExtended strand (participates in β ladder)trans-85.9163.9178.5-65.70000112V16 Y85 V87 A120 C164V16-C118 WeakPolarHBondContact O-CB 3.46Å; Y85-C118 WeakPolarHBondContact O-CB 3.39Å; Y85-C118 PolarHBondContact O-N 3.07Å; V87-C118 WeakPolarHBondContact CG1-O 3.48Å; V87-C118 PolarHBondContact N-O 3.4Å; C118-A120 PolarHBondContact O-N 3.44Å; C118-C164 CarbonylContact C-O 3.51Å
119K96.3Very high85.9Confident56 Ų5654.6 Ų54.624%0.24333%0.325CS..  trans63.133.4177.8-47.3-176.7-166165.50114.3M15 V16 A86 V87 D88 D121 K122 C164M15-K119 WeakPolarHBondContact O-CE 3.3Å; M15-K119 PolarHBondContact O-NZ 3.27Å; V16-K119 WeakPolarHBondContact O-CE 3.49Å; A86-K119 HydrophobicContact CB-CD 4.04Å; A86-K119 HydrophobicContact CB-CG 4.36Å; V87-K119 HydrophobicContact CG2-CB 4.39Å; V87-K119 WeakPolarHBondContact CG2-O 3.14Å; D88-K119 IonicContact OD1-NZ 2.85Å; K119-D121 WeakPolarHBondContact CA-OD1 3.44Å; K119-D121 PolarHBondContact O-N 3.46Å; K119-K122 HydrophobicContact CB-CD 4.24Å; K119-K122 HydrophobicContact CB-CG 4.34Å; K119-K122 HydrophobicContact CD-CD 4.38Å; K119-K122 WeakPolarHBondContact O-CB 3.16Å; K119-K122 PolarHBondContact O-N 3.5Å; K119-C164 PolarHBondContact N-O 2.89Å; K119-C164 VanDerWaalsContact N-O 3.16Å
120A96.5Very high83.6Confident18 Ų1861 Ų6115%0.14935%0.346CS..THydrogen-bonded Turntrans-56.2-21.1-179.500000114.3C118 K122 R123 E163 C164C118-A120 PolarHBondContact O-N 3.44Å; A120-K122 PolarHBondContact O-N 3.01Å; A120-R123 WeakPolarHBondContact O-CB 3.46Å; A120-R123 PolarHBondContact O-N 2.99Å; A120-E163 HydrophobicContact CB-CB 4.15Å; A120-C164 VanDerWaalsContact CB-O 3.3Å; A120-C164 WeakPolarHBondContact CB-O 3.42Å; A120-C164 PolarHBondContact N-O 2.83Å
121D94.4Very high80.9Confident33 Ų3357.6 Ų57.618%0.17634%0.341CS..Hα-helixtrans-55.5-30.8171.349.4-79.4000113K119 R123 V124 S165 L167 T168K119-D121 WeakPolarHBondContact CA-OD1 3.44Å; K119-D121 PolarHBondContact O-N 3.46Å; D121-R123 PolarHBondContact O-N 3.39Å; D121-V124 PolarHBondContact O-N 2.87Å; D121-S165 WeakPolarHBondContact CB-OG 3.49Å; D121-S165 VanDerWaalsContact OD1-CB 3.29Å; D121-S165 WeakPolarHBondContact OD1-CB 3.4Å; D121-S165 PolarHBondContact OD1-OG 2.91Å; D121-L167 HydrophobicContact CB-CD2 4.49Å; D121-T168 HydrophobicContact CB-CG2 3.95Å
122K93.5Very high78.2Confident74 Ų7462.4 Ų62.432%0.32237%0.367SS..Hα-helixtrans-66.7-22.1177.3-65.2-169.5171.1-161.40113.6V87 D88 K119 A120 V124 I126 L143V87-K122 HydrophobicContact CG2-CB 4.29Å; D88-K122 HydrophobicContact CB-CD 3.67Å; D88-K122 VanDerWaalsContact CG-CD 3.4Å; D88-K122 WeakPolarHBondContact OD2-CD 3.35Å; D88-K122 WeakPolarHBondContact OD2-CE 3.34Å; D88-K122 IonicContact OD2-NZ 3.2Å; D88-K122 PolarHBondContact OD2-NZ 2.94Å; K119-K122 HydrophobicContact CB-CD 4.24Å; K119-K122 HydrophobicContact CB-CG 4.34Å; K119-K122 HydrophobicContact CD-CD 4.38Å; K119-K122 WeakPolarHBondContact O-CB 3.16Å; K119-K122 PolarHBondContact O-N 3.5Å; A120-K122 PolarHBondContact O-N 3.01Å; K122-V124 VanDerWaalsContact C-N 3.35Å; K122-I126 WeakPolarHBondContact O-CD1 3.3Å; K122-I126 WeakPolarHBondContact O-CG1 3.43Å; K122-I126 PolarHBondContact O-N 3.09Å; K122-L143 HydrophobicContact CB-CD2 4.48Å
123R89.1Confident75.6Confident53 Ų5369.4 Ų69.420%0.240%0.404CS..Hα-helixtrans-65-38174.2-64.6-166.1175.3-76.12.9112.5V87 A120 D121 L143 I144 E163V87-R123 HydrophobicContact CB-CG 4.44Å; V87-R123 HydrophobicContact CG2-CG 4.22Å; A120-R123 WeakPolarHBondContact O-CB 3.46Å; A120-R123 PolarHBondContact O-N 2.99Å; D121-R123 PolarHBondContact O-N 3.39Å; R123-L143 HydrophobicContact CB-CD1 4.49Å; R123-L143 HydrophobicContact CG-CD1 4.36Å; R123-I144 PolarHBondContact NH1-O 3.19Å; R123-I144 PolarHBondContact NH2-O 3.3Å; R123-E163 WeakPolarHBondContact CD-OE2 3.31Å; R123-E163 IonicContact CZ-OE1 2.77Å; R123-E163 VanDerWaalsContact CZ-OE1 3.29Å; R123-E163 IonicContact CZ-OE2 3.15Å; R123-E163 VanDerWaalsContact NE-CD 3.31Å; R123-E163 IonicContact NE-OE1 2.66Å; R123-E163 PolarHBondContact NE-OE1 3.03Å; R123-E163 VanDerWaalsContact NE-OE1 3.15Å; R123-E163 IonicContact NE-OE2 3.79Å; R123-E163 PolarHBondContact NE-OE2 3.43Å; R123-E163 IonicContact NH2-OE1 2.6Å; R123-E163 PolarHBondContact NH2-OE1 3.23Å; R123-E163 IonicContact NH2-OE2 3.29Å
124V78Confident73Confident118 Ų11876 Ų7672%0.71544%0.438SS*.Hα-helixtrans-74.5-36.2-177.9-179.40000111.3D121 K122 I126D121-V124 PolarHBondContact O-N 2.87Å; K122-V124 VanDerWaalsContact C-N 3.35Å; V124-I126 VanDerWaalsContact C-N 3.32Å; V124-I126 PolarHBondContact O-N 3.43Å
125V66.3Low70.1Confident125 Ų12580.6 Ų80.676%0.75847%0.467SS*.Hα-helixtrans-69.5-29.8-178.5178.70000112.1
126I59.4Low67.3Low85 Ų8589 Ų8944%0.43651%0.508SS..Hα-helixtrans-93.4-10.5-174.1-64.3168.8000113K122 V124 P128 L143K122-I126 WeakPolarHBondContact O-CD1 3.3Å; K122-I126 WeakPolarHBondContact O-CG1 3.43Å; K122-I126 PolarHBondContact O-N 3.09Å; V124-I126 VanDerWaalsContact C-N 3.32Å; V124-I126 PolarHBondContact O-N 3.43Å; I126-P128 WeakPolarHBondContact O-CD 3.16Å; I126-L143 HydrophobicContact CB-CD1 3.77Å; I126-L143 HydrophobicContact CB-CG 4.48Å; I126-L143 HydrophobicContact CD1-CD1 3.84Å; I126-L143 HydrophobicContact CD1-CD2 3.76Å; I126-L143 HydrophobicContact CD1-CG 3.68Å; I126-L143 HydrophobicContact CG1-CD1 4.36Å; I126-L143 HydrophobicContact CG2-CD1 3.87Å; I126-L143 HydrophobicContact CG2-CG 4.34Å
127A51.9Low64.6Low62 Ų6295 Ų9551%0.51254%0.54SS..  trans-58.9120.1-178.900000111.8G129A127-G129 PolarHBondContact O-N 3.37Å
128P46.2Very low62.2Low140 Ų140100.3 Ų100.391%0.90958%0.584SS**THydrogen-bonded Turntrans-71.8105.3-174.527.3-32000109.8I126I126-P128 WeakPolarHBondContact O-CD 3.16Å
129G52.2Low59.8Low77 Ų77104.5 Ų104.579%0.79461%0.613SS**THydrogen-bonded Turntrans165.7-14.8177.800000115.8A127A127-G129 PolarHBondContact O-N 3.37Å
130K48.7Very low57.7Low205 Ų205110.2 Ų110.289%0.89164%0.641SS**SBendtrans-105.797.4170.3-69.5-174.6-178.7176.80109.8N132K130-N132 PolarHBondContact O-N 2.89Å
131S39.2Very low55.9Low102 Ų102113 Ų11371%0.71366%0.656SS**  trans-43.3118.6177.9-167.20000112.9
132N41Very low55.4Low143 Ų143114.7 Ų114.777%0.76568%0.675SS**  trans-146.2118.3139.8-107.9-2.4000108.2K130 L134K130-N132 PolarHBondContact O-N 2.89Å; N132-L134 HydrophobicContact CB-CD1 4.41Å; N132-L134 PolarHBondContact O-N 2.82Å
133N43Very low55.3Low160 Ų160113.4 Ų113.486%0.85667%0.671SS**  trans-63.165.1174.2-78.5-25.7000111.9
134L44.7Very low55.6Low141 Ų141111.3 Ų111.374%0.73866%0.664SS**  trans-106.791.4163.9-88.884.5000108.6N132N132-L134 HydrophobicContact CB-CD1 4.41Å; N132-L134 PolarHBondContact O-N 2.82Å
135T37.7Very low56.4Low97 Ų97109 Ų10960%0.59565%0.647SS**  trans29.7112.5143.456.40000116.3N137T135-N137 PolarHBondContact O-N 2.98Å; T135-N137 PolarHBondContact OG1-ND2 3.47Å
136M39.9Very low57.7Low177 Ų177106.7 Ų106.787%0.87264%0.635SS**  trans-43.476.7163.1-66.8-75.6-170.200112.8
137N42.2Very low59.5Low125 Ų125107.6 Ų107.667%0.66864%0.641SS**  trans-106.481.8177.3-69.8-8.3000108.7T135 S139T135-N137 PolarHBondContact O-N 2.98Å; T135-N137 PolarHBondContact OG1-ND2 3.47Å; N137-S139 VanDerWaalsContact C-N 3.3Å; N137-S139 PolarHBondContact O-N 3.36Å
138A48.6Very low61.6Low111 Ų111107.8 Ų107.892%0.91763%0.633SS**SBendtrans44.214140.300000122.8
139S48Very low64.1Low93 Ų93101.4 Ų101.465%0.6559%0.591SS**  trans-153.567163.551.90000111.1N137 T141N137-S139 VanDerWaalsContact C-N 3.3Å; N137-S139 PolarHBondContact O-N 3.36Å; S139-T141 PolarHBondContact O-N 3.39Å
140Q51.5Low66.3Low176 Ų176101.2 Ų101.282%0.82257%0.57SS**  trans-6484.5153.6-74.4178.823.300106.5A142Q140-A142 VanDerWaalsContact C-N 3.35Å; Q140-A142 PolarHBondContact O-N 3.37Å
141T59.2Low68.7Low76 Ų7697.5 Ų97.547%0.46655%0.554SS.*  trans-58.4106.3163.942.60000105.7S139 L143S139-T141 PolarHBondContact O-N 3.39Å; T141-L143 PolarHBondContact O-N 2.97Å; T141-L143 VanDerWaalsContact O-N 3.1Å
142A82.8Confident71.5Confident69 Ų6993.4 Ų93.457%0.5752%0.524SS*.PPolyproline II helixtrans-55120.8-179.800000108.1P90 Q140P90-A142 WeakPolarHBondContact CG-O 3.39Å; Q140-A142 VanDerWaalsContact C-N 3.35Å; Q140-A142 PolarHBondContact O-N 3.37Å
143L92.8Very high74.3Confident46 Ų4687 Ų8724%0.24149%0.491CS..PPolyproline II helixtrans-59.4142.8170.6-74.3177.8000108.8V87 D88 K122 R123 I126 T141 D145V87-L143 HydrophobicContact CG2-CD2 4.3Å; V87-L143 WeakPolarHBondContact O-CA 3.19Å; V87-L143 WeakPolarHBondContact O-CD2 3.42Å; D88-L143 HydrophobicContact CB-CD2 4.11Å; K122-L143 HydrophobicContact CB-CD2 4.48Å; R123-L143 HydrophobicContact CB-CD1 4.49Å; R123-L143 HydrophobicContact CG-CD1 4.36Å; I126-L143 HydrophobicContact CB-CD1 3.77Å; I126-L143 HydrophobicContact CB-CG 4.48Å; I126-L143 HydrophobicContact CD1-CD1 3.84Å; I126-L143 HydrophobicContact CD1-CD2 3.76Å; I126-L143 HydrophobicContact CD1-CG 3.68Å; I126-L143 HydrophobicContact CG1-CD1 4.36Å; I126-L143 HydrophobicContact CG2-CD1 3.87Å; I126-L143 HydrophobicContact CG2-CG 4.34Å; T141-L143 PolarHBondContact O-N 2.97Å; T141-L143 VanDerWaalsContact O-N 3.1Å; L143-D145 PolarHBondContact O-N 2.86Å
144I95.5Very high76.9Confident10 Ų1086.3 Ų86.35%0.05148%0.48CS..PPolyproline II helixtrans-67.5129.8177.3-60.2171.1000109.3Y85 A86 V87 P90 L93 R123 P146 V149Y85-I144 HydrophobicContact CD2-CD1 3.45Å; Y85-I144 VanDerWaalsContact CD2-CD1 3.45Å; Y85-I144 HydrophobicContact CE2-CD1 3.64Å; A86-I144 VanDerWaalsContact O-CD1 3.29Å; A86-I144 WeakPolarHBondContact O-CD1 3.2Å; V87-I144 PolarHBondContact O-N 3.4Å; P90-I144 HydrophobicContact CB-CG1 4.3Å; P90-I144 HydrophobicContact CG-CG1 4.11Å; L93-I144 HydrophobicContact CB-CD1 3.77Å; L93-I144 HydrophobicContact CD2-CD1 4.34Å; L93-I144 HydrophobicContact CD2-CG2 3.52Å; R123-I144 PolarHBondContact NH1-O 3.19Å; R123-I144 PolarHBondContact NH2-O 3.3Å; I144-P146 WeakPolarHBondContact O-CD 3.41Å; I144-V149 HydrophobicContact CB-CG2 4.48Å; I144-V149 HydrophobicContact CG2-CG2 3.5Å
145D94.2Very high79.4Confident69 Ų6985.8 Ų85.837%0.36947%0.474SS..PPolyproline II helixtrans-64.2126172-174.9-15.7000109.7L143 N147 D148 V149L143-D145 PolarHBondContact O-N 2.86Å; D145-N147 PolarHBondContact O-N 2.91Å; D145-N147 WeakPolarHBondContact OD1-CB 3.31Å; D145-N147 PolarHBondContact OD1-N 3.03Å; D145-N147 PolarHBondContact OD1-ND2 2.99Å; D145-N147 PolarHBondContact OD2-ND2 3.33Å; D145-D148 PolarHBondContact O-N 3.21Å; D145-V149 PolarHBondContact O-N 2.88Å
146P94.3Very high82.3Confident77 Ų7781.5 Ų81.550%0.545%0.448SS..Hα-helixtrans-48.7-29.2170.8-2936.4000114.9I144 V149 E150I144-P146 WeakPolarHBondContact O-CD 3.41Å; P146-V149 WeakPolarHBondContact O-CB 3.11Å; P146-V149 PolarHBondContact O-N 3.03Å; P146-E150 PolarHBondContact O-N 2.95Å
147N96Very high85Confident103 Ų10375.6 Ų75.655%0.55143%0.432SS*.Hα-helixtrans-66.6-36.8175.2-65.3-52.8000112.7D145 E150 K151D145-N147 PolarHBondContact O-N 2.91Å; D145-N147 WeakPolarHBondContact OD1-CB 3.31Å; D145-N147 PolarHBondContact OD1-N 3.03Å; D145-N147 PolarHBondContact OD1-ND2 2.99Å; D145-N147 PolarHBondContact OD2-ND2 3.33Å; N147-E150 PolarHBondContact O-N 2.75Å; N147-K151 WeakPolarHBondContact O-CG 3.3Å; N147-K151 PolarHBondContact O-N 3.16Å; N147-K151 VanDerWaalsContact O-N 3.08Å
148D97.2Very high87.7Confident67 Ų6770.4 Ų70.436%0.35841%0.406SS..Hα-helixtrans-73.2-36.1177.8-67.4-29.4000111D145 E150 K151 V152D145-D148 PolarHBondContact O-N 3.21Å; D148-E150 VanDerWaalsContact C-N 3.32Å; D148-E150 PolarHBondContact O-N 2.72Å; D148-K151 WeakPolarHBondContact O-CB 3.4Å; D148-K151 PolarHBondContact O-N 2.9Å; D148-K151 IonicContact OD1-NZ 3.74Å; D148-K151 PolarHBondContact OD1-NZ 3.35Å; D148-V152 WeakPolarHBondContact O-CG2 3.21Å; D148-V152 PolarHBondContact O-N 2.82Å
149V98.3Very high90.1Very high5 Ų570.3 Ų70.33%0.0339%0.387CS..Hα-helixtrans-56.9-46.9170.3175.40000111Y85 L93 L115 I144 D145 P146 K151 V152 S153 V161Y85-V149 HydrophobicContact CE1-CG1 4.17Å; Y85-V149 HydrophobicContact CE2-CG2 4.07Å; Y85-V149 VanDerWaalsContact OH-CG1 3.26Å; Y85-V149 WeakPolarHBondContact OH-CG1 3.46Å; Y85-V149 VanDerWaalsContact OH-CG2 3.22Å; Y85-V149 WeakPolarHBondContact OH-CG2 3.34Å; L93-V149 HydrophobicContact CD2-CG2 4.1Å; L115-V149 HydrophobicContact CD2-CG1 4.16Å; I144-V149 HydrophobicContact CB-CG2 4.48Å; I144-V149 HydrophobicContact CG2-CG2 3.5Å; D145-V149 PolarHBondContact O-N 2.88Å; P146-V149 WeakPolarHBondContact O-CB 3.11Å; P146-V149 PolarHBondContact O-N 3.03Å; V149-K151 PolarHBondContact O-N 3.08Å; V149-V152 PolarHBondContact O-N 3.35Å; V149-S153 WeakPolarHBondContact O-CB 3.35Å; V149-S153 PolarHBondContact O-N 3.25Å; V149-V161 HydrophobicContact CG1-CG2 3.46Å; V149-V161 VanDerWaalsContact CG1-CG2 3.46Å
150E98.2Very high92.5Very high73 Ų7367.9 Ų67.934%0.34137%0.366SS..Hα-helixtrans-65.5-36.8179.3179.964.8-172.800112.4P146 N147 D148 K154P146-E150 PolarHBondContact O-N 2.95Å; N147-E150 PolarHBondContact O-N 2.75Å; D148-E150 VanDerWaalsContact C-N 3.32Å; D148-E150 PolarHBondContact O-N 2.72Å; E150-K154 WeakPolarHBondContact O-CG 3.43Å; E150-K154 PolarHBondContact O-N 3.19Å; E150-K154 VanDerWaalsContact O-N 3.14Å; E150-K154 WeakPolarHBondContact OE1-CE 3.29Å; E150-K154 IonicContact OE1-NZ 2.76Å; E150-K154 PolarHBondContact OE1-NZ 3.09Å
151K98.4Very high94.7Very high127 Ų12761.7 Ų61.755%0.55234%0.34SS*.Hα-helixtrans-61.9-47.8172.9-70.6170.4-162.4158.50111N147 D148 V149 K154 Q155N147-K151 WeakPolarHBondContact O-CG 3.3Å; N147-K151 PolarHBondContact O-N 3.16Å; N147-K151 VanDerWaalsContact O-N 3.08Å; D148-K151 WeakPolarHBondContact O-CB 3.4Å; D148-K151 PolarHBondContact O-N 2.9Å; D148-K151 IonicContact OD1-NZ 3.74Å; D148-K151 PolarHBondContact OD1-NZ 3.35Å; V149-K151 PolarHBondContact O-N 3.08Å; K151-K154 PolarHBondContact O-N 2.59Å; K151-Q155 WeakPolarHBondContact O-CB 3.44Å; K151-Q155 PolarHBondContact O-N 2.83Å
152V98.6Very high96.6Very high16 Ų1659 Ų5910%0.09732%0.323CS..Hα-helixtrans-63.5-43.9178.8170.70000110.9L93 I96 V97 L115 D148 V149 K154 Q155 I156L93-V152 HydrophobicContact CD1-CB 3.99Å; L93-V152 HydrophobicContact CD1-CG1 3.77Å; L93-V152 HydrophobicContact CD1-CG2 4.18Å; L93-V152 HydrophobicContact CD2-CG2 4.11Å; L93-V152 HydrophobicContact CG-CB 4.38Å; L93-V152 HydrophobicContact CG-CG1 4.4Å; L93-V152 HydrophobicContact CG-CG2 4Å; I96-V152 HydrophobicContact CB-CG1 4.46Å; I96-V152 HydrophobicContact CG2-CG1 4.24Å; V97-V152 HydrophobicContact CG2-CB 4.47Å; V97-V152 HydrophobicContact CG2-CG1 3.76Å; V97-V152 HydrophobicContact CG2-CG2 4.09Å; L115-V152 HydrophobicContact CD2-CB 4.48Å; L115-V152 HydrophobicContact CD2-CG1 4.14Å; D148-V152 WeakPolarHBondContact O-CG2 3.21Å; D148-V152 PolarHBondContact O-N 2.82Å; V149-V152 PolarHBondContact O-N 3.35Å; V152-K154 VanDerWaalsContact C-N 3.32Å; V152-K154 PolarHBondContact O-N 3.36Å; V152-Q155 WeakPolarHBondContact O-CB 3.21Å; V152-Q155 PolarHBondContact O-N 2.92Å; V152-Q155 VanDerWaalsContact O-N 3.11Å; V152-I156 HydrophobicContact CG1-CG2 4.17Å; V152-I156 WeakPolarHBondContact O-CG1 3.45Å; V152-I156 WeakPolarHBondContact O-CG2 3.31Å; V152-I156 PolarHBondContact O-N 3.14Å
153S98.6Very high97.3Very high9 Ų957.8 Ų57.86%0.06331%0.305CS..Hα-helixtrans-52-48.9175.5-179.80000112.2V149 I156 G157 A158V149-S153 WeakPolarHBondContact O-CB 3.35Å; V149-S153 PolarHBondContact O-N 3.25Å; S153-I156 WeakPolarHBondContact O-CG1 2.98Å; S153-G157 PolarHBondContact O-N 3.1Å; S153-A158 PolarHBondContact O-N 2.6Å
154K98.3Very high97.5Very high146 Ų14655.7 Ų55.764%0.63529%0.294SS*.Hα-helixtrans-65.4-43.6176.4-73.9171.8179.21450112.3E150 K151 V152 I156 G157E150-K154 WeakPolarHBondContact O-CG 3.43Å; E150-K154 PolarHBondContact O-N 3.19Å; E150-K154 VanDerWaalsContact O-N 3.14Å; E150-K154 WeakPolarHBondContact OE1-CE 3.29Å; E150-K154 IonicContact OE1-NZ 2.76Å; E150-K154 PolarHBondContact OE1-NZ 3.09Å; K151-K154 PolarHBondContact O-N 2.59Å; V152-K154 VanDerWaalsContact C-N 3.32Å; V152-K154 PolarHBondContact O-N 3.36Å; K154-I156 VanDerWaalsContact C-N 3.32Å; K154-I156 PolarHBondContact O-N 3.45Å; K154-G157 PolarHBondContact O-N 2.8Å
155Q97.9Very high97.6Very high129 Ų12955.2 Ų55.260%0.60329%0.292SS*.Hα-helixtrans-60.6-41.1-179179174.8-10.500112.3K151 V152 G157K151-Q155 WeakPolarHBondContact O-CB 3.44Å; K151-Q155 PolarHBondContact O-N 2.83Å; V152-Q155 WeakPolarHBondContact O-CB 3.21Å; V152-Q155 PolarHBondContact O-N 2.92Å; V152-Q155 VanDerWaalsContact O-N 3.11Å; Q155-G157 VanDerWaalsContact C-N 3.35Å
156I97.9Very high97.7Very high8 Ų852.4 Ų52.44%0.04128%0.279CS..Hα-helixtrans-85.4-9-178.374-179000113.4L83 I96 V97 L101 L115 V152 S153 K154 A158L83-I156 HydrophobicContact CD1-CD1 3.84Å; I96-I156 HydrophobicContact CG2-CD1 3.81Å; I96-I156 HydrophobicContact CG2-CG2 4.22Å; V97-I156 HydrophobicContact CG2-CG2 4.17Å; L101-I156 HydrophobicContact CD1-CB 4.03Å; L101-I156 HydrophobicContact CD1-CG2 4.46Å; L101-I156 HydrophobicContact CD2-CB 4.06Å; L101-I156 HydrophobicContact CD2-CG2 3.83Å; L115-I156 HydrophobicContact CB-CD1 4.3Å; L115-I156 HydrophobicContact CD1-CD1 4.17Å; V152-I156 HydrophobicContact CG1-CG2 4.17Å; V152-I156 WeakPolarHBondContact O-CG1 3.45Å; V152-I156 WeakPolarHBondContact O-CG2 3.31Å; V152-I156 PolarHBondContact O-N 3.14Å; S153-I156 WeakPolarHBondContact O-CG1 2.98Å; K154-I156 VanDerWaalsContact C-N 3.32Å; K154-I156 PolarHBondContact O-N 3.45Å; I156-A158 HydrophobicContact CD1-CB 4.03Å; I156-A158 HydrophobicContact CG1-CB 3.87Å
157G97.8Very high97.7Very high52 Ų5253.1 Ų53.154%0.53628%0.277SS..THydrogen-bonded Turntrans68.936.3-174.800000113S153 K154 Q155S153-G157 PolarHBondContact O-N 3.1Å; K154-G157 PolarHBondContact O-N 2.8Å; Q155-G157 VanDerWaalsContact C-N 3.35Å
158A98.5Very high97.7Very high16 Ų1652.2 Ų52.213%0.13228%0.276CS..  trans-66.8137172.400000110L113 L115 S153 I156 I160L113-A158 WeakPolarHBondContact O-CA 3.19Å; L115-A158 HydrophobicContact CB-CB 4.07Å; S153-A158 PolarHBondContact O-N 2.6Å; I156-A158 HydrophobicContact CD1-CB 4.03Å; I156-A158 HydrophobicContact CG1-CB 3.87Å; A158-I160 VanDerWaalsContact C-N 3.32Å
159Q97.9Very high97.6Very high109 Ų10954.6 Ų54.651%0.50928%0.28SS..SBendtrans-73-32.7177.3-66.4-162.126.500111.7L113 I182L113-Q159 PolarHBondContact O-N 3.49Å; Q159-I182 HydrophobicContact CB-CD1 3.85Å
160I98Very high97.5Very high42 Ų4257 Ų5722%0.21530%0.297CS..EExtended strand (participates in β ladder)trans-140.5142.2-177-66.3177.8000107.9I114 L115 A158 I162 L178 I182I114-I160 WeakPolarHBondContact CA-O 3.34Å; I114-I160 HydrophobicContact CG1-CB 4.34Å; I114-I160 HydrophobicContact CG2-CB 4.2Å; I114-I160 HydrophobicContact CG2-CG2 4.23Å; I114-I160 WeakPolarHBondContact CG2-O 3.22Å; L115-I160 PolarHBondContact N-O 2.87Å; A158-I160 VanDerWaalsContact C-N 3.32Å; I160-I162 HydrophobicContact CG2-CB 4.31Å; I160-I162 HydrophobicContact CG2-CG2 4.31Å; I160-L178 HydrophobicContact CD1-CB 3.75Å; I160-L178 HydrophobicContact CD1-CD1 4.21Å; I160-L178 HydrophobicContact CD1-CD2 3.92Å; I160-L178 HydrophobicContact CD1-CG 4.15Å; I160-L178 HydrophobicContact CG2-CD1 4.04Å; I160-I182 HydrophobicContact CD1-CD1 3.56Å; I160-I182 HydrophobicContact CD1-CG1 4.33Å; I160-I182 HydrophobicContact CG1-CD1 3.98Å
161V98.5Very high97.5Very high47 Ų4756.7 Ų56.729%0.28530%0.298SS..EExtended strand (participates in β ladder)trans-117131.3163.261.70000109.2L115 V149L115-V161 HydrophobicContact CB-CB 4.3Å; L115-V161 HydrophobicContact CB-CG2 4.07Å; L115-V161 HydrophobicContact CD2-CG2 3.92Å; L115-V161 HydrophobicContact CG-CG2 4.08Å; L115-V161 WeakPolarHBondContact O-CA 3.49Å; V149-V161 HydrophobicContact CG1-CG2 3.46Å; V149-V161 VanDerWaalsContact CG1-CG2 3.46Å
162I98.5Very high97.5Very high19 Ų1950.7 Ų50.710%0.09727%0.272CS..EExtended strand (participates in β ladder)trans-148.3135.8-176.9-176.9164.8000110.5I114 L115 V116 G117 I160 N171 V175 L178I114-I162 HydrophobicContact CG2-CG2 4.03Å; L115-I162 PolarHBondContact O-N 3.42Å; V116-I162 CarbonylContact C-O 3.6Å; V116-I162 VanDerWaalsContact CA-O 3.31Å; V116-I162 WeakPolarHBondContact CA-O 3.33Å; V116-I162 HydrophobicContact CG2-CG2 4.36Å; G117-I162 PolarHBondContact N-O 2.99Å; I160-I162 HydrophobicContact CG2-CB 4.31Å; I160-I162 HydrophobicContact CG2-CG2 4.31Å; I162-N171 HydrophobicContact CD1-CB 4.06Å; I162-N171 HydrophobicContact CG1-CB 4.28Å; I162-V175 HydrophobicContact CD1-CG2 4.23Å; I162-V175 HydrophobicContact CG1-CG2 4.41Å; I162-V175 HydrophobicContact CG2-CG2 3.8Å; I162-L178 HydrophobicContact CD1-CD1 3.74Å
163E98.2Very high97.4Very high44 Ų4452.9 Ų52.921%0.20628%0.283CS..EExtended strand (participates in β ladder)trans-98.1143.6171.2-59.9-165.415700111.1Y85 V87 G117 A120 R123 N171Y85-E163 PolarHBondContact OH-OE1 3.33Å; Y85-E163 VanDerWaalsContact OH-OE1 3.13Å; V87-E163 HydrophobicContact CG1-CG 4.47Å; V87-E163 WeakPolarHBondContact CG1-OE1 3.42Å; G117-E163 CarbonylContact O-C 3.58Å; G117-E163 WeakPolarHBondContact O-CA 3.49Å; A120-E163 HydrophobicContact CB-CB 4.15Å; R123-E163 WeakPolarHBondContact CD-OE2 3.31Å; R123-E163 IonicContact CZ-OE1 2.77Å; R123-E163 VanDerWaalsContact CZ-OE1 3.29Å; R123-E163 IonicContact CZ-OE2 3.15Å; R123-E163 VanDerWaalsContact NE-CD 3.31Å; R123-E163 IonicContact NE-OE1 2.66Å; R123-E163 PolarHBondContact NE-OE1 3.03Å; R123-E163 VanDerWaalsContact NE-OE1 3.15Å; R123-E163 IonicContact NE-OE2 3.79Å; R123-E163 PolarHBondContact NE-OE2 3.43Å; R123-E163 IonicContact NH2-OE1 2.6Å; R123-E163 PolarHBondContact NH2-OE1 3.23Å; R123-E163 IonicContact NH2-OE2 3.29Å; E163-N171 WeakPolarHBondContact O-CB 3.27Å; E163-N171 PolarHBondContact O-ND2 3.19Å
164C97.9Very high97.4Very high1 Ų154.4 Ų54.41%0.00729%0.293CS..  trans-141.2161.8-179.869.70000111.4G117 C118 K119 A120 S170 N171 V175G117-C164 PolarHBondContact O-N 2.95Å; C118-C164 CarbonylContact C-O 3.51Å; K119-C164 PolarHBondContact N-O 2.89Å; K119-C164 VanDerWaalsContact N-O 3.16Å; A120-C164 VanDerWaalsContact CB-O 3.3Å; A120-C164 WeakPolarHBondContact CB-O 3.42Å; A120-C164 PolarHBondContact N-O 2.83Å; C164-S170 VanDerWaalsContact CA-O 3.31Å; C164-S170 WeakPolarHBondContact CA-O 3.43Å; C164-S170 WeakPolarHBondContact CB-O 3.43Å; C164-N171 HydrophobicContact CB-CB 3.98Å; C164-V175 HydrophobicContact CB-CG2 4.1Å
165S97Very high97.4Very high0 Ų047.4 Ų47.40%026%0.263CS..  trans-133.5112.9173167.30000108.3D121 L167 T168 R169 S170D121-S165 WeakPolarHBondContact CB-OG 3.49Å; D121-S165 VanDerWaalsContact OD1-CB 3.29Å; D121-S165 WeakPolarHBondContact OD1-CB 3.4Å; D121-S165 PolarHBondContact OD1-OG 2.91Å; S165-L167 PolarHBondContact O-N 3.41Å; S165-T168 WeakPolarHBondContact CB-OG1 3.36Å; S165-T168 PolarHBondContact OG-N 2.97Å; S165-T168 VanDerWaalsContact OG-N 3.08Å; S165-T168 PolarHBondContact OG-OG1 2.7Å; S165-R169 CarbonylContact O-C 3.46Å; S165-R169 WeakPolarHBondContact O-CA 3.3Å; S165-R169 PolarHBondContact O-N 2.89Å; S165-S170 PolarHBondContact N-O 3.12Å; S165-S170 PolarHBondContact O-N 3.43Å
166A96.5Very high97.4Very high11 Ų1141.3 Ų41.39%0.09123%0.234CC..THydrogen-bonded Turntrans-62.2-34.8173.200000111.5A20 A24 F30 R169A20-A166 HydrophobicContact CB-CB 3.9Å; A20-A166 WeakPolarHBondContact O-CB 3.48Å; A24-A166 HydrophobicContact CB-CB 3.98Å; F30-A166 HydrophobicContact CD2-CB 3.78Å; F30-A166 HydrophobicContact CE2-CB 4Å; A166-R169 PolarHBondContact O-N 2.91Å
167L94.7Very high97.4Very high91 Ų9143.6 Ų43.648%0.47625%0.245SC..THydrogen-bonded Turntrans-64.2-50.9179.9177.862.5000112.3F30 D121 S165 R169F30-L167 HydrophobicContact CD1-CD1 3.69Å; F30-L167 HydrophobicContact CD2-CB 4.42Å; F30-L167 HydrophobicContact CE1-CD1 3.89Å; F30-L167 HydrophobicContact CE2-CB 4.43Å; F30-L167 HydrophobicContact CG-CD1 4.19Å; D121-L167 HydrophobicContact CB-CD2 4.49Å; S165-L167 PolarHBondContact O-N 3.41Å; L167-R169 VanDerWaalsContact C-N 3.32Å
168T94.8Very high97.5Very high85 Ų8543.1 Ų43.152%0.52123%0.23SC..THydrogen-bonded Turntrans-89-3.718061.80000113D121 S165 S170D121-T168 HydrophobicContact CB-CG2 3.95Å; S165-T168 WeakPolarHBondContact CB-OG1 3.36Å; S165-T168 PolarHBondContact OG-N 2.97Å; S165-T168 VanDerWaalsContact OG-N 3.08Å; S165-T168 PolarHBondContact OG-OG1 2.7Å; T168-S170 PolarHBondContact O-N 2.85Å; T168-S170 VanDerWaalsContact O-N 3.12Å; T168-S170 WeakPolarHBondContact OG1-CB 3.16Å; T168-S170 PolarHBondContact OG1-N 2.97Å
169R94.9Very high97.5Very high116 Ų11642.3 Ų42.344%0.43822%0.223SC..  trans57.911.9-169.1-63.2-170.852-170.5-15.1115.5G28 S165 A166 L167 N171 V172G28-R169 PolarHBondContact O-NH1 3.15Å; S165-R169 CarbonylContact O-C 3.46Å; S165-R169 WeakPolarHBondContact O-CA 3.3Å; S165-R169 PolarHBondContact O-N 2.89Å; A166-R169 PolarHBondContact O-N 2.91Å; L167-R169 VanDerWaalsContact C-N 3.32Å; R169-N171 PolarHBondContact O-N 2.94Å; R169-V172 PolarHBondContact O-N 2.82Å
170S96.7Very high97.5Very high55 Ų5537.1 Ų37.139%0.38520%0.199SC..THydrogen-bonded Turntrans-60.6128175.6-176.20000110.7C164 S165 T168 V172C164-S170 VanDerWaalsContact CA-O 3.31Å; C164-S170 WeakPolarHBondContact CA-O 3.43Å; C164-S170 WeakPolarHBondContact CB-O 3.43Å; S165-S170 PolarHBondContact N-O 3.12Å; S165-S170 PolarHBondContact O-N 3.43Å; T168-S170 PolarHBondContact O-N 2.85Å; T168-S170 VanDerWaalsContact O-N 3.12Å; T168-S170 WeakPolarHBondContact OG1-CB 3.16Å; T168-S170 PolarHBondContact OG1-N 2.97Å; S170-V172 PolarHBondContact O-N 3.08Å
171N98Very high97.5Very high68 Ų6839 Ų3936%0.36420%0.204SC..THydrogen-bonded Turntrans57.17.2179.5-69.7-23.2000117.1I162 E163 C164 R169 N173 S174 V175I162-N171 HydrophobicContact CD1-CB 4.06Å; I162-N171 HydrophobicContact CG1-CB 4.28Å; E163-N171 WeakPolarHBondContact O-CB 3.27Å; E163-N171 PolarHBondContact O-ND2 3.19Å; C164-N171 HydrophobicContact CB-CB 3.98Å; R169-N171 PolarHBondContact O-N 2.94Å; N171-N173 PolarHBondContact O-N 3.16Å; N171-S174 WeakPolarHBondContact O-CB 3.44Å; N171-S174 PolarHBondContact O-N 2.77Å; N171-V175 WeakPolarHBondContact O-CG2 3.34Å; N171-V175 PolarHBondContact O-N 2.89Å
172V98.1Very high97.4Very high1 Ų137.3 Ų37.31%0.00619%0.193CC..Hα-helixtrans-58-53.6-179.7170.40000110.9L21 A24 F25 R169 S170 S174 V175 F176L21-V172 HydrophobicContact CD1-CB 4.44Å; L21-V172 HydrophobicContact CD1-CG1 4.16Å; L21-V172 HydrophobicContact CD1-CG2 4.19Å; A24-V172 HydrophobicContact CB-CG1 4.11Å; A24-V172 HydrophobicContact CB-CG2 4.27Å; F25-V172 HydrophobicContact CB-CG1 3.74Å; R169-V172 PolarHBondContact O-N 2.82Å; S170-V172 PolarHBondContact O-N 3.08Å; V172-S174 VanDerWaalsContact C-N 3.34Å; V172-S174 PolarHBondContact O-N 2.61Å; V172-V175 PolarHBondContact O-N 2.98Å; V172-F176 WeakPolarHBondContact O-CD2 3.38Å
173N97Very high97.4Very high62 Ų6236.6 Ų36.633%0.33219%0.189SC..Hα-helixtrans-64.3-40177.5-69.1-17.6000111.7N171 V175 F176 E177N171-N173 PolarHBondContact O-N 3.16Å; N173-V175 VanDerWaalsContact C-N 3.28Å; N173-V175 PolarHBondContact O-N 3.49Å; N173-F176 PolarHBondContact O-N 3.02Å; N173-F176 VanDerWaalsContact O-N 3.07Å; N173-E177 WeakPolarHBondContact O-CG 3.39Å; N173-E177 PolarHBondContact O-N 2.78Å
174S98Very high97.3Very high40 Ų4035.6 Ų35.628%0.2819%0.185SC..Hα-helixtrans-56.6-39.7-179.9-47.20000112.5N171 V172 F176 E177 L178N171-S174 WeakPolarHBondContact O-CB 3.44Å; N171-S174 PolarHBondContact O-N 2.77Å; V172-S174 VanDerWaalsContact C-N 3.34Å; V172-S174 PolarHBondContact O-N 2.61Å; S174-F176 VanDerWaalsContact C-N 3.33Å; S174-F176 PolarHBondContact O-N 2.98Å; S174-E177 PolarHBondContact O-N 2.99Å; S174-L178 VanDerWaalsContact O-CB 3.3Å; S174-L178 WeakPolarHBondContact O-CB 3.33Å; S174-L178 WeakPolarHBondContact O-CD1 3.47Å; S174-L178 WeakPolarHBondContact O-CG 3.39Å; S174-L178 PolarHBondContact O-N 3.22Å
175V98.6Very high97.3Very high0 Ų038.6 Ų38.60%020%0.201CC..Hα-helixtrans-55.4-48.6175.8170.80000111L82 V116 I162 C164 N171 V172 N173 A179L82-V175 HydrophobicContact CD1-CG1 3.92Å; L82-V175 HydrophobicContact CD2-CG1 4.27Å; V116-V175 HydrophobicContact CG1-CG2 4.22Å; V116-V175 HydrophobicContact CG2-CG1 4.09Å; I162-V175 HydrophobicContact CD1-CG2 4.23Å; I162-V175 HydrophobicContact CG1-CG2 4.41Å; I162-V175 HydrophobicContact CG2-CG2 3.8Å; C164-V175 HydrophobicContact CB-CG2 4.1Å; N171-V175 WeakPolarHBondContact O-CG2 3.34Å; N171-V175 PolarHBondContact O-N 2.89Å; V172-V175 PolarHBondContact O-N 2.98Å; N173-V175 VanDerWaalsContact C-N 3.28Å; N173-V175 PolarHBondContact O-N 3.49Å; V175-A179 WeakPolarHBondContact O-CB 3.48Å; V175-A179 PolarHBondContact O-N 3.11Å
176F98.4Very high97.2Very high0 Ų040.7 Ų40.70%021%0.213CC..Hα-helixtrans-79.9-30.2-175.6-62.4-81.2000113I8 L21 L22 F25 L56 L58 L82 V172 N173 S174 A179 A180I8-F176 HydrophobicContact CD1-CD1 4.27Å; L21-F176 HydrophobicContact CD1-CE2 3.92Å; L21-F176 HydrophobicContact CD1-CZ 4.42Å; L21-F176 HydrophobicContact CD2-CZ 4.47Å; L21-F176 HydrophobicContact CG-CE2 4.07Å; L21-F176 HydrophobicContact CG-CZ 4.06Å; L22-F176 HydrophobicContact CD2-CE1 3.87Å; L22-F176 HydrophobicContact CD2-CZ 3.73Å; F25-F176 HydrophobicContact CB-CD2 3.73Å; F25-F176 HydrophobicContact CB-CE2 3.38Å; F25-F176 HydrophobicContact CB-CZ 4.05Å; F25-F176 HydrophobicContact CD1-CB 4.41Å; F25-F176 AromaticContact CD1-CD1 3.91Å; F25-F176 HydrophobicContact CD1-CD1 3.91Å; F25-F176 AromaticContact CD1-CD2 3.57Å; F25-F176 HydrophobicContact CD1-CD2 3.57Å; F25-F176 HydrophobicContact CD1-CE1 4.04Å; F25-F176 AromaticContact CD1-CE2 3.74Å; F25-F176 HydrophobicContact CD1-CE2 3.74Å; F25-F176 AromaticContact CD1-CG 3.68Å; F25-F176 HydrophobicContact CD1-CG 3.68Å; F25-F176 AromaticContact CD1-CZ 3.96Å; F25-F176 HydrophobicContact CD1-CZ 3.96Å; F25-F176 HydrophobicContact CD2-CB 4.18Å; F25-F176 AromaticContact CD2-CD2 3.36Å; F25-F176 HydrophobicContact CD2-CD2 3.36Å; F25-F176 AromaticContact CD2-CE2 3.98Å; F25-F176 HydrophobicContact CD2-CE2 3.98Å; F25-F176 AromaticContact CD2-CG 3.92Å; F25-F176 HydrophobicContact CD2-CG 3.92Å; F25-F176 HydrophobicContact CE1-CB 3.91Å; F25-F176 AromaticContact CE1-CD1 3.85Å; F25-F176 HydrophobicContact CE1-CD1 3.85Å; F25-F176 AromaticContact CE1-CD2 3.95Å; F25-F176 HydrophobicContact CE1-CD2 3.95Å; F25-F176 HydrophobicContact CE1-CE1 4.39Å; F25-F176 AromaticContact CE1-CG 3.6Å; F25-F176 HydrophobicContact CE1-CG 3.6Å; F25-F176 HydrophobicContact CE2-CB 3.66Å; F25-F176 AromaticContact CE2-CD2 3.77Å; F25-F176 HydrophobicContact CE2-CD2 3.77Å; F25-F176 AromaticContact CE2-CG 3.86Å; F25-F176 HydrophobicContact CE2-CG 3.86Å; F25-F176 HydrophobicContact CG-CD1 4.45Å; F25-F176 AromaticContact CG-CD2 3.25Å; F25-F176 HydrophobicContact CG-CD2 3.25Å; F25-F176 AromaticContact CG-CE2 3.42Å; F25-F176 HydrophobicContact CG-CE2 3.42Å; F25-F176 VanDerWaalsContact CG-CE2 3.42Å; F25-F176 AromaticContact CG-CG 3.83Å; F25-F176 HydrophobicContact CG-CG 3.83Å; F25-F176 HydrophobicContact CG-CZ 4.09Å; F25-F176 HydrophobicContact CZ-CB 3.5Å; F25-F176 VanDerWaalsContact CZ-CB 3.5Å; F25-F176 HydrophobicContact CZ-CD1 4.34Å; F25-F176 HydrophobicContact CZ-CD2 4.04Å; F25-F176 AromaticContact CZ-CG 3.7Å; F25-F176 HydrophobicContact CZ-CG 3.7Å; L56-F176 HydrophobicContact CD1-CB 3.98Å; L56-F176 HydrophobicContact CD1-CD1 4.28Å; L58-F176 HydrophobicContact CD2-CD1 3.99Å; L58-F176 HydrophobicContact CD2-CE1 3.79Å; L82-F176 HydrophobicContact CD1-CE1 4Å; L82-F176 HydrophobicContact CD1-CZ 4.37Å; V172-F176 WeakPolarHBondContact O-CD2 3.38Å; N173-F176 PolarHBondContact O-N 3.02Å; N173-F176 VanDerWaalsContact O-N 3.07Å; S174-F176 VanDerWaalsContact C-N 3.33Å; S174-F176 PolarHBondContact O-N 2.98Å; F176-A179 PolarHBondContact O-N 3.33Å; F176-A180 VanDerWaalsContact O-CB 3.23Å; F176-A180 WeakPolarHBondContact O-CB 3.15Å; F176-A180 PolarHBondContact O-N 2.94Å
177E97.9Very high97.1Very high56 Ų5642.6 Ų42.626%0.26222%0.221SC..Hα-helixtrans-64.2-43.9170.3-73.2177.1-152.800111.6L48 N173 S174 A180 R181L48-E177 HydrophobicContact CD2-CB 3.96Å; L48-E177 HydrophobicContact CD2-CG 4.11Å; N173-E177 WeakPolarHBondContact O-CG 3.39Å; N173-E177 PolarHBondContact O-N 2.78Å; S174-E177 PolarHBondContact O-N 2.99Å; E177-A180 PolarHBondContact O-N 3.27Å; E177-R181 WeakPolarHBondContact O-CG 3.11Å; E177-R181 PolarHBondContact O-N 3.03Å
178L98.5Very high97Very high42 Ų4244.2 Ų44.222%0.2222%0.221CC..Hα-helixtrans-65.6-42.3176.4-69.7171.9000111.4I160 I162 S174 R181 I182I160-L178 HydrophobicContact CD1-CB 3.75Å; I160-L178 HydrophobicContact CD1-CD1 4.21Å; I160-L178 HydrophobicContact CD1-CD2 3.92Å; I160-L178 HydrophobicContact CD1-CG 4.15Å; I160-L178 HydrophobicContact CG2-CD1 4.04Å; I162-L178 HydrophobicContact CD1-CD1 3.74Å; S174-L178 VanDerWaalsContact O-CB 3.3Å; S174-L178 WeakPolarHBondContact O-CB 3.33Å; S174-L178 WeakPolarHBondContact O-CD1 3.47Å; S174-L178 WeakPolarHBondContact O-CG 3.39Å; S174-L178 PolarHBondContact O-N 3.22Å; L178-R181 PolarHBondContact O-N 3.42Å; L178-I182 WeakPolarHBondContact O-CG1 3.46Å; L178-I182 PolarHBondContact O-N 2.65Å; L178-I182 VanDerWaalsContact O-N 3.09Å
179A98.6Very high97Very high0 Ų046.1 Ų46.10%022%0.223CC..Hα-helixtrans-59-47.517300000112.2I8 L80 I114 V175 F176 R181 I182 I183I8-A179 HydrophobicContact CD1-CB 3.7Å; L80-A179 HydrophobicContact CD1-CB 3.97Å; L80-A179 HydrophobicContact CD2-CB 3.93Å; I114-A179 HydrophobicContact CD1-CB 3.82Å; V175-A179 WeakPolarHBondContact O-CB 3.48Å; V175-A179 PolarHBondContact O-N 3.11Å; F176-A179 PolarHBondContact O-N 3.33Å; A179-R181 VanDerWaalsContact C-N 3.35Å; A179-R181 PolarHBondContact O-N 2.78Å; A179-I182 PolarHBondContact O-N 3.12Å; A179-I183 WeakPolarHBondContact O-CD1 3.35Å; A179-I183 VanDerWaalsContact O-CG1 3.27Å; A179-I183 WeakPolarHBondContact O-CG1 3.04Å; A179-I183 PolarHBondContact O-N 3.43Å
180A98.1Very high96.8Very high0 Ų045.2 Ų45.20%023%0.227CC..Hα-helixtrans-58.3-44.5177.300000112.5V46 L48 L54 L56 F176 E177 I183 L184V46-A180 HydrophobicContact CG1-CB 4.48Å; L48-A180 HydrophobicContact CD1-CB 4.19Å; L48-A180 HydrophobicContact CD2-CB 4.02Å; L48-A180 HydrophobicContact CG-CB 4.42Å; L54-A180 HydrophobicContact CD1-CB 3.98Å; L54-A180 HydrophobicContact CD2-CB 3.54Å; L54-A180 HydrophobicContact CG-CB 4.35Å; L56-A180 HydrophobicContact CD2-CB 4.5Å; F176-A180 VanDerWaalsContact O-CB 3.23Å; F176-A180 WeakPolarHBondContact O-CB 3.15Å; F176-A180 PolarHBondContact O-N 2.94Å; E177-A180 PolarHBondContact O-N 3.27Å; A180-I183 PolarHBondContact O-N 2.78Å; A180-L184 VanDerWaalsContact O-CG 3.31Å; A180-L184 WeakPolarHBondContact O-CG 3.22Å; A180-L184 PolarHBondContact O-N 3.42Å
181R98Very high96.5Very high82 Ų8248 Ų4831%0.30924%0.235SC..Hα-helixtrans-59.3-49.6176.4-73177.9179.3163.55.7111.6L48 E177 L178 A179 I183 L184 D185L48-R181 HydrophobicContact CD1-CG 3.75Å; L48-R181 HydrophobicContact CD2-CG 4.18Å; E177-R181 WeakPolarHBondContact O-CG 3.11Å; E177-R181 PolarHBondContact O-N 3.03Å; L178-R181 PolarHBondContact O-N 3.42Å; A179-R181 VanDerWaalsContact C-N 3.35Å; A179-R181 PolarHBondContact O-N 2.78Å; R181-I183 VanDerWaalsContact C-N 3.33Å; R181-I183 PolarHBondContact O-N 3.36Å; R181-L184 PolarHBondContact O-N 3.24Å; R181-D185 WeakPolarHBondContact O-CB 3.4Å; R181-D185 PolarHBondContact O-N 2.98Å
182I98.2Very high96.1Very high11 Ų1152.7 Ų52.76%0.05625%0.248CC..Hα-helixtrans-57.2-47.6178.4-71.1166.9000111L80 P112 I114 Q159 I160 L178 A179 L184 D185 V186L80-I182 HydrophobicContact CD1-CB 3.97Å; L80-I182 HydrophobicContact CD1-CD1 4.4Å; L80-I182 HydrophobicContact CD1-CG2 3.85Å; P112-I182 HydrophobicContact CB-CG2 3.63Å; P112-I182 HydrophobicContact CG-CG2 3.83Å; I114-I182 HydrophobicContact CD1-CD1 3.89Å; I114-I182 HydrophobicContact CG1-CD1 3.98Å; Q159-I182 HydrophobicContact CB-CD1 3.85Å; I160-I182 HydrophobicContact CD1-CD1 3.56Å; I160-I182 HydrophobicContact CD1-CG1 4.33Å; I160-I182 HydrophobicContact CG1-CD1 3.98Å; L178-I182 WeakPolarHBondContact O-CG1 3.46Å; L178-I182 PolarHBondContact O-N 2.65Å; L178-I182 VanDerWaalsContact O-N 3.09Å; A179-I182 PolarHBondContact O-N 3.12Å; I182-L184 PolarHBondContact O-N 2.93Å; I182-D185 PolarHBondContact O-N 3.37Å; I182-V186 HydrophobicContact CG2-CG2 4.36Å; I182-V186 WeakPolarHBondContact O-CG2 3.4Å; I182-V186 PolarHBondContact O-N 3.09Å
183I97.9Very high95.6Very high4 Ų455.6 Ų55.62%0.02127%0.272CS..Hα-helixtrans-60.4-47.7-178.6-65.6161.9000110.8R6 I8 L56 L80 A179 A180 R181 D185 V186 E187R6-I183 HydrophobicContact CB-CD1 4.22Å; R6-I183 HydrophobicContact CB-CG2 3.95Å; R6-I183 HydrophobicContact CG-CG2 3.42Å; R6-I183 VanDerWaalsContact CG-CG2 3.42Å; I8-I183 HydrophobicContact CD1-CD1 4.22Å; I8-I183 HydrophobicContact CG1-CD1 3.96Å; L56-I183 HydrophobicContact CD2-CD1 4.27Å; L80-I183 HydrophobicContact CB-CD1 3.8Å; L80-I183 HydrophobicContact CB-CG1 3.76Å; L80-I183 HydrophobicContact CD1-CD1 4.45Å; L80-I183 HydrophobicContact CD1-CG1 4.06Å; A179-I183 WeakPolarHBondContact O-CD1 3.35Å; A179-I183 VanDerWaalsContact O-CG1 3.27Å; A179-I183 WeakPolarHBondContact O-CG1 3.04Å; A179-I183 PolarHBondContact O-N 3.43Å; A180-I183 PolarHBondContact O-N 2.78Å; R181-I183 VanDerWaalsContact C-N 3.33Å; R181-I183 PolarHBondContact O-N 3.36Å; I183-D185 VanDerWaalsContact C-N 3.33Å; I183-D185 PolarHBondContact O-N 2.9Å; I183-V186 PolarHBondContact O-N 3.04Å; I183-E187 WeakPolarHBondContact O-CG 3.49Å; I183-E187 PolarHBondContact O-N 3.22Å
184L96.5Very high95.1Very high23 Ų2356 Ų5612%0.1228%0.28CS..Hα-helixtrans-66.3-34.3-179.5-67.6175.1000112.8L48 R52 L54 A180 R181 I182 R188L48-L184 HydrophobicContact CD1-CD1 3.85Å; R52-L184 HydrophobicContact CB-CD1 3.85Å; R52-L184 HydrophobicContact CG-CD1 4.46Å; L54-L184 HydrophobicContact CD1-CD1 4.39Å; L54-L184 HydrophobicContact CD1-CD2 4.25Å; L54-L184 HydrophobicContact CD1-CG 4.14Å; L54-L184 HydrophobicContact CD2-CD1 4.36Å; A180-L184 VanDerWaalsContact O-CG 3.31Å; A180-L184 WeakPolarHBondContact O-CG 3.22Å; A180-L184 PolarHBondContact O-N 3.42Å; R181-L184 PolarHBondContact O-N 3.24Å; I182-L184 PolarHBondContact O-N 2.93Å; L184-R188 WeakPolarHBondContact O-CB 3.45Å; L184-R188 PolarHBondContact O-N 3.15Å
185D96.2Very high94.2Very high64 Ų6461.2 Ų61.234%0.34230%0.297SS..Hα-helixtrans-70-43.3177.7-68-18.9000111R52 R181 I182 I183 E187 R188 E189R52-D185 IonicContact CZ-OD1 3.07Å; R52-D185 IonicContact NH1-OD1 3.57Å; R52-D185 PolarHBondContact NH1-OD1 3.14Å; R52-D185 IonicContact NH2-OD1 2.83Å; R181-D185 WeakPolarHBondContact O-CB 3.4Å; R181-D185 PolarHBondContact O-N 2.98Å; I182-D185 PolarHBondContact O-N 3.37Å; I183-D185 VanDerWaalsContact C-N 3.33Å; I183-D185 PolarHBondContact O-N 2.9Å; D185-E187 PolarHBondContact O-N 3.23Å; D185-R188 WeakPolarHBondContact O-CB 3.29Å; D185-R188 PolarHBondContact O-N 2.66Å; D185-E189 WeakPolarHBondContact O-CG 3.26Å; D185-E189 PolarHBondContact O-N 3.27Å
186V96Very high93.3Very high43 Ų4367.7 Ų67.726%0.26133%0.326SS..Hα-helixtrans-61-44.5173.4170.60000111.5I182 I183 R188 E189 N190I182-V186 HydrophobicContact CG2-CG2 4.36Å; I182-V186 WeakPolarHBondContact O-CG2 3.4Å; I182-V186 PolarHBondContact O-N 3.09Å; I183-V186 PolarHBondContact O-N 3.04Å; V186-R188 VanDerWaalsContact C-N 3.32Å; V186-R188 PolarHBondContact O-N 3.13Å; V186-E189 PolarHBondContact O-N 2.95Å; V186-N190 WeakPolarHBondContact O-CB 3.37Å; V186-N190 VanDerWaalsContact O-CG 3.28Å; V186-N190 PolarHBondContact O-N 2.94Å; V186-N190 PolarHBondContact O-ND2 2.94Å
187E93.7Very high92.2Very high52 Ų5276 Ų7624%0.24336%0.358CS..Hα-helixtrans-59.9-42.5175.4-75.8177.9-175.300111.8R6 I183 D185 N190 M191R6-E187 WeakPolarHBondContact CG-OE1 3.5Å; R6-E187 IonicContact CZ-OE1 3.5Å; R6-E187 IonicContact CZ-OE2 2.69Å; R6-E187 IonicContact NE-OE1 3.65Å; R6-E187 PolarHBondContact NE-OE1 3Å; R6-E187 IonicContact NE-OE2 2.83Å; R6-E187 PolarHBondContact NE-OE2 3.06Å; R6-E187 IonicContact NH2-OE1 3.68Å; R6-E187 IonicContact NH2-OE2 3.14Å; R6-E187 PolarHBondContact NH2-OE2 2.7Å; I183-E187 WeakPolarHBondContact O-CG 3.49Å; I183-E187 PolarHBondContact O-N 3.22Å; D185-E187 PolarHBondContact O-N 3.23Å; E187-N190 PolarHBondContact O-N 3.28Å; E187-M191 HydrophobicContact CB-CE 4.46Å; E187-M191 WeakPolarHBondContact O-CB 3.5Å; E187-M191 WeakPolarHBondContact O-CG 3.49Å; E187-M191 PolarHBondContact O-N 2.87Å
188R93.7Very high91.1Very high125 Ų12579.4 Ų79.447%0.47238%0.378SS..Hα-helixtrans-63.3-41.9177.6179.3-178.7-82.1179-5.9111.9L184 D185 V186 R192L184-R188 WeakPolarHBondContact O-CB 3.45Å; L184-R188 PolarHBondContact O-N 3.15Å; D185-R188 WeakPolarHBondContact O-CB 3.29Å; D185-R188 PolarHBondContact O-N 2.66Å; V186-R188 VanDerWaalsContact C-N 3.32Å; V186-R188 PolarHBondContact O-N 3.13Å; R188-R192 WeakPolarHBondContact O-CG 3.4Å; R188-R192 PolarHBondContact O-N 2.77Å; R188-R192 VanDerWaalsContact O-N 3.09Å
189E93.4Very high90Very high125 Ų12583.7 Ų83.758%0.58440%0.4SS*.Hα-helixtrans-65.1-45.2176.3-72.6179.4173.500112D185 V186 M191 R192 A193D185-E189 WeakPolarHBondContact O-CG 3.26Å; D185-E189 PolarHBondContact O-N 3.27Å; V186-E189 PolarHBondContact O-N 2.95Å; E189-M191 VanDerWaalsContact C-N 3.35Å; E189-M191 PolarHBondContact O-N 3.3Å; E189-R192 WeakPolarHBondContact O-CB 3.45Å; E189-R192 PolarHBondContact O-N 2.99Å; E189-R192 VanDerWaalsContact O-N 3.14Å; E189-A193 PolarHBondContact O-N 3.48Å
190N91Very high88.7Confident97 Ų9787.7 Ų87.752%0.51942%0.421SS..Hα-helixtrans-60.3-44176.6-72.7-28.1000111.7V186 E187 R192 A193 S194V186-N190 WeakPolarHBondContact O-CB 3.37Å; V186-N190 VanDerWaalsContact O-CG 3.28Å; V186-N190 PolarHBondContact O-N 2.94Å; V186-N190 PolarHBondContact O-ND2 2.94Å; E187-N190 PolarHBondContact O-N 3.28Å; N190-R192 VanDerWaalsContact C-N 3.33Å; N190-R192 PolarHBondContact O-N 2.93Å; N190-A193 PolarHBondContact O-N 3.26Å; N190-S194 PolarHBondContact O-N 3.45Å; N190-S194 PolarHBondContact O-OG 3.22Å; N190-S194 VanDerWaalsContact O-OG 3.1Å
191M90.3Very high86.9Confident112 Ų11292.5 Ų92.555%0.55245%0.453SS*.Hα-helixtrans-61.6-38.6175-77.5-170.9-81.800112.8E187 E189 K195E187-M191 HydrophobicContact CB-CE 4.46Å; E187-M191 WeakPolarHBondContact O-CB 3.5Å; E187-M191 WeakPolarHBondContact O-CG 3.49Å; E187-M191 PolarHBondContact O-N 2.87Å; E189-M191 VanDerWaalsContact C-N 3.35Å; E189-M191 PolarHBondContact O-N 3.3Å; M191-K195 WeakPolarHBondContact O-CG 3.44Å; M191-K195 PolarHBondContact O-N 3.05Å
192R90.9Very high85.4Confident167 Ų16796 Ų9663%0.6348%0.476SS*.Hα-helixtrans-66.6-44.5176.7-75.9172.9172.6174.1-2.8111.6R188 E189 N190 K195 F196R188-R192 WeakPolarHBondContact O-CG 3.4Å; R188-R192 PolarHBondContact O-N 2.77Å; R188-R192 VanDerWaalsContact O-N 3.09Å; E189-R192 WeakPolarHBondContact O-CB 3.45Å; E189-R192 PolarHBondContact O-N 2.99Å; E189-R192 VanDerWaalsContact O-N 3.14Å; N190-R192 VanDerWaalsContact C-N 3.33Å; N190-R192 PolarHBondContact O-N 2.93Å; R192-K195 PolarHBondContact O-N 3.35Å; R192-F196 WeakPolarHBondContact O-CB 3.47Å; R192-F196 PolarHBondContact O-N 3.35Å
193A87.6Confident83.2Confident62 Ų62103.6 Ų103.651%0.51251%0.511SS..Hα-helixtrans-61.2-43.3175.500000112.3E189 N190 F196 Y197E189-A193 PolarHBondContact O-N 3.48Å; N190-A193 PolarHBondContact O-N 3.26Å; A193-F196 PolarHBondContact O-N 3.08Å; A193-Y197 PolarHBondContact O-N 3.14Å
194S85.5Confident80.9Confident70 Ų70114.5 Ų114.549%0.4955%0.551SS.*Hα-helixtrans-63.9-43.3177-60.90000112.5N190 F196 Y197 N198N190-S194 PolarHBondContact O-N 3.45Å; N190-S194 PolarHBondContact O-OG 3.22Å; N190-S194 VanDerWaalsContact O-OG 3.1Å; S194-F196 VanDerWaalsContact C-N 3.33Å; S194-F196 PolarHBondContact O-N 3.44Å; S194-Y197 PolarHBondContact O-N 2.6Å; S194-N198 PolarHBondContact O-N 2.95Å; S194-N198 PolarHBondContact O-ND2 3.21Å
195K79.9Confident78.6Confident150 Ų150123 Ų12365%0.65259%0.587SS**Hα-helixtrans-61.5-41.8175.2-75.2179.8-179.2-177.60111.6M191 R192 N198 I199M191-K195 WeakPolarHBondContact O-CG 3.44Å; M191-K195 PolarHBondContact O-N 3.05Å; R192-K195 PolarHBondContact O-N 3.35Å; K195-N198 PolarHBondContact O-N 2.96Å; K195-I199 WeakPolarHBondContact O-CD1 3.22Å; K195-I199 VanDerWaalsContact O-CG1 3.32Å; K195-I199 WeakPolarHBondContact O-CG1 3.35Å; K195-I199 PolarHBondContact O-N 3.27Å
196F80Confident76.1Confident137 Ų137129.1 Ų129.160%0.60161%0.611SS**Hα-helixtrans-63.4-43.1177.9-171.1-92.7000112.4R192 A193 S194 N198 I199 L200R192-F196 WeakPolarHBondContact O-CB 3.47Å; R192-F196 PolarHBondContact O-N 3.35Å; A193-F196 PolarHBondContact O-N 3.08Å; S194-F196 VanDerWaalsContact C-N 3.33Å; S194-F196 PolarHBondContact O-N 3.44Å; F196-N198 VanDerWaalsContact C-N 3.28Å; F196-N198 PolarHBondContact O-N 3.24Å; F196-I199 PolarHBondContact O-N 3.14Å; F196-I199 VanDerWaalsContact O-N 3.09Å; F196-L200 HydrophobicContact CD1-CD1 4.42Å; F196-L200 HydrophobicContact CD1-CG 4.42Å; F196-L200 HydrophobicContact CE1-CD1 4.2Å; F196-L200 HydrophobicContact CE1-CD2 4.04Å; F196-L200 HydrophobicContact CE1-CG 4.13Å; F196-L200 HydrophobicContact CZ-CD2 4.39Å; F196-L200 PolarHBondContact O-N 3.39Å
197Y74Confident73.6Confident174 Ų174132.4 Ų132.468%0.68264%0.636SS**Hα-helixtrans-60.7-37.1177-175.2-99.9000112.6A193 S194 I199 L200A193-Y197 PolarHBondContact O-N 3.14Å; S194-Y197 PolarHBondContact O-N 2.6Å; Y197-I199 VanDerWaalsContact C-N 3.28Å; Y197-I199 PolarHBondContact O-N 3.47Å; Y197-L200 PolarHBondContact O-N 2.99Å
198N74.4Confident71.3Confident127 Ų127137.7 Ų137.768%0.67966%0.664SS**Hα-helixtrans-73-17.8177.2-67.6-24.2000113.7S194 K195 F196S194-N198 PolarHBondContact O-N 2.95Å; S194-N198 PolarHBondContact O-ND2 3.21Å; K195-N198 PolarHBondContact O-N 2.96Å; F196-N198 VanDerWaalsContact C-N 3.28Å; F196-N198 PolarHBondContact O-N 3.24Å
199I76.9Confident69Low132 Ų132136.7 Ų136.768%0.67768%0.676SS**Hα-helixtrans-88.4-25.6177.8-67.1164.6000111.6K195 F196 Y197K195-I199 WeakPolarHBondContact O-CD1 3.22Å; K195-I199 VanDerWaalsContact O-CG1 3.32Å; K195-I199 WeakPolarHBondContact O-CG1 3.35Å; K195-I199 PolarHBondContact O-N 3.27Å; F196-I199 PolarHBondContact O-N 3.14Å; F196-I199 VanDerWaalsContact O-N 3.09Å; Y197-I199 VanDerWaalsContact C-N 3.28Å; Y197-I199 PolarHBondContact O-N 3.47Å
200L70.3Confident66.2Low84 Ų84139 Ų13944%0.4469%0.692SS.*SBendtrans-57.9130.5177.2-73171.8000109.8F196 Y197 I202F196-L200 HydrophobicContact CD1-CD1 4.42Å; F196-L200 HydrophobicContact CD1-CG 4.42Å; F196-L200 HydrophobicContact CE1-CD1 4.2Å; F196-L200 HydrophobicContact CE1-CD2 4.04Å; F196-L200 HydrophobicContact CE1-CG 4.13Å; F196-L200 HydrophobicContact CZ-CD2 4.39Å; F196-L200 PolarHBondContact O-N 3.39Å; Y197-L200 PolarHBondContact O-N 2.99Å; L200-I202 PolarHBondContact O-N 3.45Å
201P60Low63.8Low102 Ų102137.7 Ų137.766%0.66270%0.703SS**  trans-60.3111.9177.922-30.3000108.5H203P201-H203 VanDerWaalsContact C-N 3.3Å; P201-H203 PolarHBondContact O-N 3.03Å
202I66.5Low61.3Low155 Ų155137.2 Ų137.280%0.79572%0.716SS**  trans-57.8100171.2-58.1172.2000105.5L200 R204L200-I202 PolarHBondContact O-N 3.45Å; I202-R204 PolarHBondContact O-N 2.84Å
203H51.6Low58.6Low171 Ų171135.7 Ų135.779%0.79273%0.725SS**  trans-64.389.5166.3-94.560.9000106.3P201 K205P201-H203 VanDerWaalsContact C-N 3.3Å; P201-H203 PolarHBondContact O-N 3.03Å; H203-K205 VanDerWaalsContact C-N 3.32Å; H203-K205 PolarHBondContact O-N 3.41Å
204R50.2Low56Low232 Ų232139.4 Ų139.488%0.87574%0.742SS**  trans-58.5100.3170.2-157.7177.5-170.6171.52.7104.8I202 K206I202-R204 PolarHBondContact O-N 2.84Å; R204-K206 PolarHBondContact O-N 2.92Å
205K47.7Very low53.5Low201 Ų201139.1 Ų139.187%0.87475%0.75SS**  trans-52.7107.7172.7-79.1-174.1176.2179.50106.2H203 S207H203-K205 VanDerWaalsContact C-N 3.32Å; H203-K205 PolarHBondContact O-N 3.41Å; K205-S207 PolarHBondContact O-N 2.84Å; K205-S207 VanDerWaalsContact O-N 3.14Å
206K44.8Very low51.1Low194 Ų194138.6 Ų138.684%0.84376%0.76SS**  trans-56.5121.1168.2-83.5-176.5175.4178.90105.8R204 I208R204-K206 PolarHBondContact O-N 2.92Å; K206-I208 PolarHBondContact O-N 3.06Å
207S43.4Very low48.7Very low112 Ų112137.1 Ų137.178%0.78377%0.766SS**  trans-53.2107.8168.951.80000107.5K205 S209K205-S207 PolarHBondContact O-N 2.84Å; K205-S207 VanDerWaalsContact O-N 3.14Å; S207-S209 VanDerWaalsContact C-N 3.33Å; S207-S209 PolarHBondContact O-N 2.81Å
208I44.2Very low46.5Very low163 Ų163135.7 Ų135.784%0.83677%0.77SS**  trans-71.1102.1166.6-63.3175.1000104.6K206 N210K206-I208 PolarHBondContact O-N 3.06Å; I208-N210 PolarHBondContact O-N 3.1Å
209S45.9Very low44.2Very low104 Ų104136 Ų13673%0.72777%0.77SS**  trans-61.1128.8167.448.40000108.7S207 G211S207-S209 VanDerWaalsContact C-N 3.33Å; S207-S209 PolarHBondContact O-N 2.81Å; S209-G211 PolarHBondContact O-N 2.93Å; S209-G211 VanDerWaalsContact O-N 3.15Å
210N36Very low41.9Very low172 Ų172135 Ų13592%0.9277%0.77SS**  trans-44113.1174.7-66.1-31.6000111.8I208I208-N210 PolarHBondContact O-N 3.1Å
211G39.4Very low39.8Very low71 Ų71141.4 Ų141.473%0.73279%0.788SS**  trans-128.7129167.700000108.4S209S209-G211 PolarHBondContact O-N 2.93Å; S209-G211 VanDerWaalsContact O-N 3.15Å
212A39Very low38.2Very low101 Ų101147.7 Ų147.784%0.83580%0.799SS**  trans-61.3146.6-157.900000117.2
213V33.4Very low36.6Very low135 Ų135145.2 Ų145.282%0.81880%0.796SS**  trans-21.3127.3150179.90000114.7
214T33.7Very low35.8Very low140 Ų140142.2 Ų142.286%0.85979%0.793SS**  -173.5137.1124.733.10000110.1
215G32Very low35Very low65 Ų65134.7 Ų134.767%0.6779%0.789SS**  trans110.191.2146.200000118.1
216T30.7Very low34.3Very low139 Ų139132.9 Ų132.985%0.85379%0.787SS**  trans55.8103.9135.740.20000120.7
217S27.7Very low33.9Very low105 Ų105133 Ų13373%0.73479%0.788SS**  65.5137.8114.9-137.60000121.2
218L28.4Very low33.6Very low145 Ų145138.8 Ų138.876%0.75979%0.793SS**  trans96.4113151.4-62.5176.7000119.2
219I27.1Very low33.2Very low133 Ų133141.8 Ų141.868%0.68279%0.794SS**  10297.8126.7-69.6168.4000118.5
220T27.3Very low32.6Very low111 Ų111144.6 Ų144.668%0.68180%0.799SS**  77.7139.7126.372.40000123.7
221R26.8Very low32.7Very low218 Ų218140.3 Ų140.382%0.82378%0.782SS**  trans92.5118.8137.6-88.6172.8-179.2-159.42.1119.5
222R26.3Very low32.8Very low234 Ų234142.8 Ų142.888%0.88379%0.788SS**  trans49.7117138.4-74.2-177.6166.8180-4118.3
223S33.1Very low32.8Very low104 Ų104141.2 Ų141.273%0.72777%0.771SS**  163.6131.193.1-167.80000111.2
224S34Very low33.2Very low107 Ų107142 Ų14275%0.74877%0.77SS**  trans39.581.1149.860.20000118.6L226S224-L226 PolarHBondContact O-N 3.33Å
225G34.6Very low33.5Very low75 Ų75146.1 Ų146.177%0.77377%0.772SS**  trans-71.6108.2161.400000111.4K227G225-K227 VanDerWaalsContact C-N 3.28Å; G225-K227 PolarHBondContact O-N 3.05Å
226L33.4Very low33.8Very low162 Ų162151.1 Ų151.185%0.84878%0.776SS**  trans-71.780.7168.7-163.473.7000109.2S224 R228S224-L226 PolarHBondContact O-N 3.33Å; L226-R228 PolarHBondContact O-N 3.25Å
227K36.8Very low34.5Very low198 Ų198149.2 Ų149.286%0.86177%0.767SS**  trans-77.498.7170.3-80.9-173.8176.9-1770109.2G225 R229G225-K227 VanDerWaalsContact C-N 3.28Å; G225-K227 PolarHBondContact O-N 3.05Å; K227-R229 PolarHBondContact O-N 2.77Å; K227-R229 VanDerWaalsContact O-N 3.11Å
228R36.9Very low35.2Very low232 Ų232153.3 Ų153.388%0.87577%0.772SS**  trans-67.6101.8157.4-80.8-176.1172.3170.6-2.3108L226 I230L226-R228 PolarHBondContact O-N 3.25Å; R228-I230 PolarHBondContact O-N 3.06Å
229R34.2Very low35.7Very low227 Ų227153.1 Ų153.186%0.85777%0.771SS**  trans-78.7108.4170.4-162.6175.7-170.3167.70.7107.2K227 S231K227-R229 PolarHBondContact O-N 2.77Å; K227-R229 VanDerWaalsContact O-N 3.11Å; R229-S231 VanDerWaalsContact C-N 3.29Å; R229-S231 PolarHBondContact O-N 2.76Å
230I33.7Very low36.1Very low163 Ų163158.2 Ų158.284%0.83678%0.781SS**  trans-66.799.7158.9-62.2172.6000104.4R228 S232R228-I230 PolarHBondContact O-N 3.06Å; I230-S232 PolarHBondContact O-N 2.68Å; I230-S232 VanDerWaalsContact O-N 3.11Å
231S38.5Very low36.6Very low82 Ų82163 Ų16357%0.57379%0.787SS**  trans-79.193.9179.9-166.90000108.2R229 S233R229-S231 VanDerWaalsContact C-N 3.29Å; R229-S231 PolarHBondContact O-N 2.76Å; S231-S233 PolarHBondContact O-N 3.41Å; S231-S233 WeakPolarHBondContact OG-CB 3.44Å
232S40.9Very low37.5Very low123 Ų123167.9 Ų167.986%0.8681%0.806SS**  trans-65.775.8153.547.30000108.1I230I230-S232 PolarHBondContact O-N 2.68Å; I230-S232 VanDerWaalsContact O-N 3.11Å
233S39.1Very low38.1Very low67 Ų67164.6 Ų164.647%0.46980%0.802SS.*  trans-144.454.3176.7-173.30000110.7S231S231-S233 PolarHBondContact O-N 3.41Å; S231-S233 WeakPolarHBondContact OG-CB 3.44Å
234N42Very low38.3Very low151 Ų151167.8 Ų167.881%0.80781%0.806SS**SBendtrans-111.315.5166.1-82.5-3.2000113
235Y39.3Very low38.6Very low228 Ų228171.2 Ų171.289%0.89481%0.809SS**SBendtrans-111.64.1175.1-80.5-77.9000114.7
236F39.5Very low38.8Very low170 Ų170176.8 Ų176.875%0.74681%0.811SS**SBendtrans-100.51.1-176.6-121.7-86.7000115.9
237C44.7Very low39.1Very low99 Ų99177.8 Ų177.867%0.66981%0.809SS**THydrogen-bonded Turntrans-89.16.1177.5-125.20000114.9L239C237-L239 VanDerWaalsContact C-N 3.35Å; C237-L239 PolarHBondContact O-N 2.79Å
238F42.7Very low39.3Very low190 Ų190176.4 Ų176.483%0.83381%0.805SS**THydrogen-bonded Turntrans-86.44.1178-123-85.9000114.7
239L38Very low39.5Very low142 Ų142172.4 Ų172.474%0.74380%0.8SS**SBendtrans-121.418.4-169-83.1164.1000116.3C237C237-L239 VanDerWaalsContact C-N 3.35Å; C237-L239 PolarHBondContact O-N 2.79Å
240R37.2Very low39.9Very low239 Ų239168.2 Ų168.290%0.90280%0.796SS**SBendtrans-125.175.6169.4-105.1-171.4173-177.2-1.9111.2
241R37.9Very low40.4Very low212 Ų212168.7 Ų168.780%0.879%0.792SS**  trans177.271.7151.5-95.8166.6-170.5-163.94.1107.8D68D68-R241 IonicContact OD2-NH1 3.64Å
242R44.7Very low40.6Very low321 Ų321176.5 Ų176.5100%1.21181%0.812SS**  trans-124.70148.4-88.3-166177.9-177.40.3106.6

Retrieved 242 of 242 residues in 191.5 ms (Link to these results)

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