A0A096NP90_PAPAN Loading...

Thiosulfate sulfurtransferase like domain containing 1

AlphaFold DB , UniProt , Accession A0A096NP90, Species PAPAN (Papio anubis, Olive baboon), Gene TSTD1, Length 122 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
1M40.1Very low46.2Very low250 Ų250113.3 Ų113.3100%1.23274%0.739SS**  0140.60-69.4-176.2175.500108.2
2A42.7Very low49.2Very low106 Ų106108.6 Ų108.688%0.87671%0.708SS**  trans-62.4138.9-162.100000115
3G44.9Very low52.3Low82 Ų82104.8 Ų104.885%0.84568%0.682SS**  66.2113.6119.800000118.5
4G37.1Very low55Low70 Ų7097.5 Ų97.572%0.72263%0.634SS**  trans158.374.7154.100000113.3R6G4-R6 PolarHBondContact O-N 2.88Å
5C41.2Very low57.3Low136 Ų13695.1 Ų95.192%0.91962%0.62SS**  trans-58.498151.1-65.30000106.4A7C5-A7 PolarHBondContact O-N 2.92Å
6R44.4Very low59.2Low238 Ų23889.5 Ų89.590%0.89858%0.583SS**  trans-70.292.3166-98.8169.671.1-152.96105.8G4G4-R6 PolarHBondContact O-N 2.88Å
7A42.4Very low61Low70 Ų7089.5 Ų89.558%0.57958%0.583SS**  trans-47.6137.1152.800000106.7C5 S9C5-A7 PolarHBondContact O-N 2.92Å; A7-S9 VanDerWaalsContact C-N 3.28Å; A7-S9 PolarHBondContact O-N 2.81Å
8P44.6Very low62.5Low91 Ų9187.8 Ų87.859%0.59157%0.566SS**  trans-60105.8165.526-29.8000104.9S10P8-S10 VanDerWaalsContact C-N 3.27Å; P8-S10 PolarHBondContact O-N 3.35Å; P8-S10 PolarHBondContact O-OG 2.77Å
9S45.7Very low63.9Low79 Ų7983.2 Ų83.255%0.55254%0.537SS*.  trans-61100.1175.5-57.70000105.6A7 A11 R108A7-S9 VanDerWaalsContact C-N 3.28Å; A7-S9 PolarHBondContact O-N 2.81Å; S9-A11 PolarHBondContact O-N 3.01Å; S9-R108 VanDerWaalsContact O-CZ 3.27Å; S9-R108 PolarHBondContact O-NH1 2.83Å; S9-R108 PolarHBondContact O-NH2 3.29Å; S9-R108 VanDerWaalsContact O-NH2 3.09Å
10S56.6Low65.1Low89 Ų8983.7 Ų83.762%0.62253%0.527SS*.  trans-7037.6171.1-49.80000110.2P8P8-S10 VanDerWaalsContact C-N 3.27Å; P8-S10 PolarHBondContact O-N 3.35Å; P8-S10 PolarHBondContact O-OG 2.77Å
11A69.1Low66.3Low35 Ų3583.4 Ų83.429%0.28953%0.528SS..  trans-62.7127.2-179.100000107.2S9 T13S9-A11 PolarHBondContact O-N 3.01Å; A11-T13 PolarHBondContact O-N 2.88Å; A11-T13 VanDerWaalsContact O-N 3.1Å
12P82.3Confident68.6Low57 Ų5772.2 Ų72.237%0.3747%0.473SS..SBendtrans-66.4-8.3176.428.1-34.2000112.1M96 R108 N109P12-M96 HydrophobicContact CB-CE 3.94Å; P12-M96 HydrophobicContact CB-SD 4.31Å; P12-R108 CarbonylContact O-C 3.56Å; P12-R108 WeakPolarHBondContact O-CA 3.45Å; P12-N109 WeakPolarHBondContact O-CB 3.37Å; P12-N109 PolarHBondContact O-N 3.1Å
13T88.7Confident70.8Confident60 Ų6069.7 Ų69.737%0.36845%0.445SS..EExtended strand (participates in β ladder)trans-125.7135.3-179.7-56.60000110.4A11 N109 A111A11-T13 PolarHBondContact O-N 2.88Å; A11-T13 VanDerWaalsContact O-N 3.1Å; T13-N109 CarbonylContact C-O 3.6Å; T13-N109 WeakPolarHBondContact CA-O 3.36Å; T13-A111 HydrophobicContact CG2-CB 3.49Å; T13-A111 VanDerWaalsContact CG2-CB 3.49Å
14V90.4Very high72.9Confident2 Ų270.1 Ų70.11%0.01244%0.44CS..EExtended strand (participates in β ladder)trans-109.1142.2174.5171.70000109.5E18 L19 L22 I83 R108 N109 Y110V14-E18 HydrophobicContact CG1-CB 4.04Å; V14-E18 HydrophobicContact CG1-CG 4.04Å; V14-L19 HydrophobicContact CG1-CB 3.86Å; V14-L22 HydrophobicContact CG1-CD1 4.47Å; V14-I83 HydrophobicContact CB-CD1 4.41Å; V14-I83 HydrophobicContact CG2-CD1 3.74Å; V14-R108 HydrophobicContact CG2-CB 3.81Å; V14-R108 VanDerWaalsContact CG2-CD 3.48Å; V14-R108 HydrophobicContact CG2-CG 4.28Å; V14-N109 PolarHBondContact N-O 3.24Å; V14-Y110 WeakPolarHBondContact O-CD2 3.48Å
15S89.4Confident75.3Confident61 Ų6169 Ų6943%0.42742%0.422SS..  trans-93.7159.4175.261.70000111.6E18 L19S15-E18 PolarHBondContact O-N 2.9Å; S15-E18 WeakPolarHBondContact OG-CB 3.3Å; S15-L19 WeakPolarHBondContact O-CB 3.45Å; S15-L19 PolarHBondContact O-N 3.28Å
16L88.4Confident77.4Confident6 Ų665.9 Ų65.93%0.03141%0.412CS..Hα-helixtrans-55.5-46.3179.6178.166.2000113.7E18 L19 R20 Y110 E116 W117 K120L16-E18 VanDerWaalsContact C-N 3.3Å; L16-E18 PolarHBondContact O-N 3.09Å; L16-L19 PolarHBondContact O-N 3.37Å; L16-R20 HydrophobicContact CD1-CG 4.38Å; L16-R20 WeakPolarHBondContact O-CG 3.41Å; L16-R20 PolarHBondContact O-N 2.81Å; L16-Y110 HydrophobicContact CB-CE2 4.02Å; L16-Y110 WeakPolarHBondContact CD1-OH 3.47Å; L16-E116 HydrophobicContact CD2-CG 4.28Å; L16-W117 HydrophobicContact CD1-CE3 3.64Å; L16-W117 HydrophobicContact CD1-CZ3 3.92Å; L16-K120 HydrophobicContact CD2-CB 3.63Å; L16-K120 HydrophobicContact CD2-CD 3.48Å; L16-K120 VanDerWaalsContact CD2-CD 3.48Å; L16-K120 HydrophobicContact CD2-CG 4.13Å
17P88.7Confident79.4Confident90 Ų9062.6 Ų62.658%0.58440%0.4SS*.Hα-helixtrans-63.3-36.2178.9-21.433.5000113.2S21P17-S21 PolarHBondContact O-N 3.13Å; P17-S21 VanDerWaalsContact O-N 3.16Å; P17-S21 PolarHBondContact O-OG 3.34Å
18E89.1Confident81.6Confident59 Ų5960 Ų6028%0.27638%0.378SS..Hα-helixtrans-69.1-44.7175.7-176.7-177-171.900110.9V14 S15 L16 R20 S21 L22 R108V14-E18 HydrophobicContact CG1-CB 4.04Å; V14-E18 HydrophobicContact CG1-CG 4.04Å; S15-E18 PolarHBondContact O-N 2.9Å; S15-E18 WeakPolarHBondContact OG-CB 3.3Å; L16-E18 VanDerWaalsContact C-N 3.3Å; L16-E18 PolarHBondContact O-N 3.09Å; E18-R20 VanDerWaalsContact C-N 3.33Å; E18-R20 PolarHBondContact O-N 2.96Å; E18-S21 WeakPolarHBondContact O-CB 3.4Å; E18-S21 PolarHBondContact O-N 3.42Å; E18-S21 VanDerWaalsContact O-N 3.14Å; E18-L22 HydrophobicContact CG-CD1 4.24Å; E18-L22 WeakPolarHBondContact O-CG 3.48Å; E18-L22 PolarHBondContact O-N 3.32Å; E18-R108 IonicContact OE1-NH1 3.57Å
19L89.3Confident83.9Confident0 Ų058.8 Ų58.80%036%0.362CS..Hα-helixtrans-56.1-48175.1175.257.7000111.1V14 S15 L16 S21 L22 L23 L30 I83 Y110 W117V14-L19 HydrophobicContact CG1-CB 3.86Å; S15-L19 WeakPolarHBondContact O-CB 3.45Å; S15-L19 PolarHBondContact O-N 3.28Å; L16-L19 PolarHBondContact O-N 3.37Å; L19-S21 VanDerWaalsContact C-N 3.3Å; L19-S21 PolarHBondContact O-N 3.12Å; L19-L22 PolarHBondContact O-N 3.26Å; L19-L22 VanDerWaalsContact O-N 3.13Å; L19-L23 HydrophobicContact CD1-CD1 3.97Å; L19-L23 HydrophobicContact CD1-CD2 4.37Å; L19-L23 HydrophobicContact CD1-CG 3.91Å; L19-L23 HydrophobicContact CG-CD1 3.91Å; L19-L23 HydrophobicContact CG-CG 4.31Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.35Å; L19-L23 PolarHBondContact O-N 3.16Å; L19-L30 HydrophobicContact CD1-CD1 4.45Å; L19-L30 HydrophobicContact CD1-CD2 3.83Å; L19-L30 HydrophobicContact CD1-CG 4.26Å; L19-L30 HydrophobicContact CD2-CD2 4.24Å; L19-I83 HydrophobicContact CD1-CB 4.5Å; L19-I83 HydrophobicContact CD1-CG1 4.19Å; L19-I83 HydrophobicContact CD1-CG2 4.22Å; L19-Y110 HydrophobicContact CD2-CD1 3.98Å; L19-Y110 HydrophobicContact CD2-CD2 4.26Å; L19-Y110 HydrophobicContact CD2-CE1 4.15Å; L19-Y110 HydrophobicContact CD2-CE2 4.45Å; L19-Y110 HydrophobicContact CD2-CG 4.05Å; L19-W117 HydrophobicContact CD2-CE3 4.46Å; L19-W117 HydrophobicContact CD2-CZ3 4.39Å
20R87.6Confident86.2Confident92 Ų9255.3 Ų55.335%0.34734%0.337SS..Hα-helixtrans-56.1-45.4176.2-70.6179.7-164.2-149.83.9112L16 E18 L22 L23 A24 K120 E121L16-R20 HydrophobicContact CD1-CG 4.38Å; L16-R20 WeakPolarHBondContact O-CG 3.41Å; L16-R20 PolarHBondContact O-N 2.81Å; E18-R20 VanDerWaalsContact C-N 3.33Å; E18-R20 PolarHBondContact O-N 2.96Å; R20-L22 VanDerWaalsContact C-N 3.3Å; R20-L22 PolarHBondContact O-N 2.93Å; R20-L23 PolarHBondContact O-N 3.36Å; R20-A24 VanDerWaalsContact O-CB 3.3Å; R20-A24 WeakPolarHBondContact O-CB 3.15Å; R20-A24 PolarHBondContact O-N 3.38Å; R20-K120 PolarHBondContact NH2-O 3.24Å; R20-E121 IonicContact CZ-OE1 2.71Å; R20-E121 IonicContact CZ-OE2 3.23Å; R20-E121 VanDerWaalsContact CZ-OE2 3.23Å; R20-E121 IonicContact NE-OE1 3.02Å; R20-E121 IonicContact NE-OE2 2.76Å; R20-E121 PolarHBondContact NE-OE2 3.14Å; R20-E121 VanDerWaalsContact NH1-CD 3.3Å; R20-E121 IonicContact NH1-OE1 3.99Å; R20-E121 PolarHBondContact NH1-OE1 3.38Å; R20-E121 IonicContact NH1-OE2 2.66Å; R20-E121 PolarHBondContact NH1-OE2 2.95Å; R20-E121 VanDerWaalsContact NH2-CG 3.26Å; R20-E121 IonicContact NH2-OE1 3.08Å; R20-E121 PolarHBondContact NH2-OE1 3.3Å; R20-E121 IonicContact NH2-OE2 2.85Å
21S89.7Confident87.9Confident78 Ų7851.1 Ų51.155%0.54531%0.307SS..Hα-helixtrans-62.7-38.9178.9-59.20000111.9P17 E18 L19 S25P17-S21 PolarHBondContact O-N 3.13Å; P17-S21 VanDerWaalsContact O-N 3.16Å; P17-S21 PolarHBondContact O-OG 3.34Å; E18-S21 WeakPolarHBondContact O-CB 3.4Å; E18-S21 PolarHBondContact O-N 3.42Å; E18-S21 VanDerWaalsContact O-N 3.14Å; L19-S21 VanDerWaalsContact C-N 3.3Å; L19-S21 PolarHBondContact O-N 3.12Å; S21-S25 WeakPolarHBondContact O-CB 3.44Å; S21-S25 PolarHBondContact O-N 3.26Å; S21-S25 VanDerWaalsContact O-N 3.12Å; S21-S25 PolarHBondContact O-OG 3.41Å
22L89.5Confident89.1Confident15 Ų1549.4 Ų49.48%0.07929%0.294CS..Hα-helixtrans-69.8-43.3178.1-66.6168.5000111.9V14 E18 L19 R20 S25 G26 R27 A28 H81 I83V14-L22 HydrophobicContact CG1-CD1 4.47Å; E18-L22 HydrophobicContact CG-CD1 4.24Å; E18-L22 WeakPolarHBondContact O-CG 3.48Å; E18-L22 PolarHBondContact O-N 3.32Å; L19-L22 PolarHBondContact O-N 3.26Å; L19-L22 VanDerWaalsContact O-N 3.13Å; R20-L22 VanDerWaalsContact C-N 3.3Å; R20-L22 PolarHBondContact O-N 2.93Å; L22-S25 CarbonylContact O-C 3.56Å; L22-S25 PolarHBondContact O-N 3Å; L22-S25 PolarHBondContact O-OG 3.21Å; L22-G26 PolarHBondContact O-N 3.15Å; L22-G26 VanDerWaalsContact O-N 3.14Å; L22-R27 PolarHBondContact O-N 2.87Å; L22-R27 VanDerWaalsContact O-N 3.15Å; L22-A28 HydrophobicContact CB-CB 3.48Å; L22-A28 VanDerWaalsContact CB-CB 3.48Å; L22-A28 HydrophobicContact CD1-CB 4.44Å; L22-H81 HydrophobicContact CD1-CB 4.3Å; L22-I83 HydrophobicContact CD1-CD1 4.46Å
23L88.1Confident89.6Confident53 Ų5346.8 Ų46.828%0.27728%0.276SS..Hα-helixtrans-61.8-46.3175.2-68172.7000111.6L19 R20 S25 G26 A28 L30 W117L19-L23 HydrophobicContact CD1-CD1 3.97Å; L19-L23 HydrophobicContact CD1-CD2 4.37Å; L19-L23 HydrophobicContact CD1-CG 3.91Å; L19-L23 HydrophobicContact CG-CD1 3.91Å; L19-L23 HydrophobicContact CG-CG 4.31Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.35Å; L19-L23 PolarHBondContact O-N 3.16Å; R20-L23 PolarHBondContact O-N 3.36Å; L23-S25 PolarHBondContact O-N 3.14Å; L23-G26 PolarHBondContact O-N 3.06Å; L23-A28 HydrophobicContact CD2-CB 4.22Å; L23-L30 HydrophobicContact CD1-CD1 3.95Å; L23-L30 HydrophobicContact CD2-CD1 3.52Å; L23-L30 HydrophobicContact CD2-CG 4.01Å; L23-L30 HydrophobicContact CG-CD1 4.29Å; L23-W117 HydrophobicContact CD1-CH2 4.22Å; L23-W117 HydrophobicContact CD1-CZ3 4.25Å
24A88.2Confident89.8Confident92 Ų9244.1 Ų44.176%0.7626%0.26SS*.Hα-helixtrans-61.1-30.2176.400000112.5R20R20-A24 VanDerWaalsContact O-CB 3.3Å; R20-A24 WeakPolarHBondContact O-CB 3.15Å; R20-A24 PolarHBondContact O-N 3.38Å
25S87.7Confident89.9Confident47 Ų4745.6 Ų45.633%0.32927%0.27SS..THydrogen-bonded Turntrans-86.6-2.6175.972.90000114.7S21 L22 L23 R27S21-S25 WeakPolarHBondContact O-CB 3.44Å; S21-S25 PolarHBondContact O-N 3.26Å; S21-S25 VanDerWaalsContact O-N 3.12Å; S21-S25 PolarHBondContact O-OG 3.41Å; L22-S25 CarbonylContact O-C 3.56Å; L22-S25 PolarHBondContact O-N 3Å; L22-S25 PolarHBondContact O-OG 3.21Å; L23-S25 PolarHBondContact O-N 3.14Å; S25-R27 PolarHBondContact O-N 3.25Å; S25-R27 PolarHBondContact OG-NE 3.22Å
26G85.4Confident89.9Confident69 Ų6947.9 Ų47.971%0.71127%0.269SS*.THydrogen-bonded Turntrans65.317.9-177.900000114.6L22 L23L22-G26 PolarHBondContact O-N 3.15Å; L22-G26 VanDerWaalsContact O-N 3.14Å; L23-G26 PolarHBondContact O-N 3.06Å
27R86Confident90Very high170 Ų17055 Ų5564%0.64230%0.302SS*.  trans-103.2-8.3-175.5-70.5-176.9-71.5-166.4-4.7114.1L22 S25L22-R27 PolarHBondContact O-N 2.87Å; L22-R27 VanDerWaalsContact O-N 3.15Å; S25-R27 PolarHBondContact O-N 3.25Å; S25-R27 PolarHBondContact OG-NE 3.22Å
28A90Very high90Very high16 Ų1652.6 Ų52.613%0.13228%0.283CS..  trans-99.2139.417500000111.2L22 L23 H81 I83L22-A28 HydrophobicContact CB-CB 3.48Å; L22-A28 VanDerWaalsContact CB-CB 3.48Å; L22-A28 HydrophobicContact CD1-CB 4.44Å; L23-A28 HydrophobicContact CD2-CB 4.22Å; A28-H81 HydrophobicContact CB-CB 4.42Å; A28-I83 HydrophobicContact CB-CG1 4.12Å
29R92.2Very high90Very high65 Ų6550.4 Ų50.425%0.24528%0.275CS..EExtended strand (participates in β ladder)trans-108.8125.1166.8-61.2-173.361.7174.70.4108.5F31 E73 D79 H81 L82 I83R29-F31 HydrophobicContact CB-CE2 3.74Å; R29-F31 HydrophobicContact CB-CZ 4.06Å; R29-E73 PolarHBondContact NH2-O 3.21Å; R29-D79 IonicContact NH1-OD2 3.31Å; R29-D79 PolarHBondContact NH1-OD2 2.9Å; R29-H81 PolarHBondContact N-O 2.92Å; R29-H81 VanDerWaalsContact N-O 3.12Å; R29-L82 HydrophobicContact CB-CD2 4.07Å; R29-L82 HydrophobicContact CG-CD2 4.41Å; R29-I83 PolarHBondContact O-N 3.23Å
30L92.8Very high89.9Confident5 Ų554.7 Ų54.73%0.02631%0.311CS..EExtended strand (participates in β ladder)trans-97.8134.6-179.5-85170.5000110.8L19 L23 I44 A47 L48 I83 F85L19-L30 HydrophobicContact CD1-CD1 4.45Å; L19-L30 HydrophobicContact CD1-CD2 3.83Å; L19-L30 HydrophobicContact CD1-CG 4.26Å; L19-L30 HydrophobicContact CD2-CD2 4.24Å; L23-L30 HydrophobicContact CD1-CD1 3.95Å; L23-L30 HydrophobicContact CD2-CD1 3.52Å; L23-L30 HydrophobicContact CD2-CG 4.01Å; L23-L30 HydrophobicContact CG-CD1 4.29Å; L30-I44 HydrophobicContact CD1-CB 4.19Å; L30-I44 HydrophobicContact CD1-CG2 3.51Å; L30-A47 HydrophobicContact CB-CB 3.77Å; L30-L48 PolarHBondContact O-N 2.73Å; L30-I83 CarbonylContact C-O 3.55Å; L30-I83 WeakPolarHBondContact CA-O 3.4Å; L30-I83 HydrophobicContact CD2-CB 3.83Å; L30-I83 HydrophobicContact CD2-CG2 3.83Å; L30-F85 HydrophobicContact CB-CE1 4.13Å; L30-F85 HydrophobicContact CD2-CD1 3.69Å; L30-F85 HydrophobicContact CD2-CE1 3.79Å; L30-F85 HydrophobicContact CG-CE1 4.45Å
31F93.2Very high89.9Confident1 Ų154.8 Ų54.80%0.00433%0.331CS..EExtended strand (participates in β ladder)trans-124.8113.1176.3-59.7-85.1000109.6R29 L48 I50 P75 L82 I83 F84 F85R29-F31 HydrophobicContact CB-CE2 3.74Å; R29-F31 HydrophobicContact CB-CZ 4.06Å; F31-L48 CarbonylContact C-O 3.59Å; F31-L48 VanDerWaalsContact CA-O 3.28Å; F31-L48 WeakPolarHBondContact CA-O 3.38Å; F31-L48 HydrophobicContact CD1-CB 4.21Å; F31-L48 HydrophobicContact CD1-CD2 4.25Å; F31-L48 HydrophobicContact CE1-CD2 4Å; F31-I50 HydrophobicContact CD1-CD1 3.7Å; F31-I50 HydrophobicContact CD1-CG1 4.41Å; F31-I50 HydrophobicContact CE1-CD1 4.07Å; F31-P75 HydrophobicContact CE1-CG 4.33Å; F31-P75 HydrophobicContact CZ-CB 4.12Å; F31-P75 HydrophobicContact CZ-CG 4.01Å; F31-L82 HydrophobicContact CD2-CB 4.48Å; F31-L82 HydrophobicContact CE2-CB 3.94Å; F31-L82 HydrophobicContact CE2-CD2 3.65Å; F31-L82 HydrophobicContact CE2-CG 4.37Å; F31-L82 HydrophobicContact CZ-CD2 4Å; F31-I83 PolarHBondContact N-O 3.47Å; F31-F84 HydrophobicContact CB-CD1 3.51Å; F31-F84 HydrophobicContact CB-CE1 3.68Å; F31-F84 HydrophobicContact CB-CG 4.35Å; F31-F84 HydrophobicContact CD1-CE1 4.46Å; F31-F84 HydrophobicContact CD2-CD1 4.21Å; F31-F84 AromaticContact CD2-CE1 3.8Å; F31-F84 HydrophobicContact CD2-CE1 3.8Å; F31-F84 HydrophobicContact CD2-CE2 4.48Å; F31-F84 AromaticContact CD2-CZ 3.96Å; F31-F84 HydrophobicContact CD2-CZ 3.96Å; F31-F84 HydrophobicContact CE2-CZ 4.41Å; F31-F84 HydrophobicContact CG-CD1 4.06Å; F31-F84 AromaticContact CG-CE1 3.72Å; F31-F84 HydrophobicContact CG-CE1 3.72Å; F31-F84 HydrophobicContact CG-CZ 4.32Å; F31-F85 VanDerWaalsContact O-CD1 3.32Å; F31-F85 WeakPolarHBondContact O-CD1 3.45Å; F31-F85 PolarHBondContact O-N 2.83Å
32D94Very high89.8Confident0 Ų052.2 Ų52.20%032%0.317CS..EExtended strand (participates in β ladder)trans-86.1111174.1-170-18.4000109.3R34 T43 A47 L48 N49 I50 F85D32-R34 VanDerWaalsContact C-N 3.34Å; D32-R34 WeakPolarHBondContact OD1-CB 3.43Å; D32-R34 WeakPolarHBondContact OD1-CG 3.43Å; D32-R34 IonicContact OD1-CZ 3.35Å; D32-R34 PolarHBondContact OD1-N 2.98Å; D32-R34 IonicContact OD1-NE 3.05Å; D32-R34 PolarHBondContact OD1-NE 2.92Å; D32-R34 IonicContact OD2-CZ 3.48Å; D32-R34 VanDerWaalsContact OD2-CZ 3.31Å; D32-R34 IonicContact OD2-NE 3.63Å; D32-R34 PolarHBondContact OD2-NE 3.1Å; D32-R34 VanDerWaalsContact OD2-NE 3.08Å; D32-R34 IonicContact OD2-NH2 3.95Å; D32-R34 PolarHBondContact OD2-NH2 2.96Å; D32-T43 WeakPolarHBondContact OD2-CB 3.37Å; D32-T43 PolarHBondContact OD2-OG1 3.27Å; D32-A47 HydrophobicContact CB-CB 4.35Å; D32-L48 PolarHBondContact N-O 3.38Å; D32-N49 HydrophobicContact CB-CB 4.41Å; D32-N49 CarbonylContact O-C 3.58Å; D32-N49 WeakPolarHBondContact O-CA 3.32Å; D32-N49 PolarHBondContact O-ND2 2.85Å; D32-I50 CarbonylContact O-C 3.59Å; D32-I50 PolarHBondContact O-N 2.82Å; D32-F85 HydrophobicContact CB-CE1 3.97Å; D32-F85 HydrophobicContact CB-CE2 3.93Å; D32-F85 HydrophobicContact CB-CZ 3.48Å; D32-F85 VanDerWaalsContact CB-CZ 3.48Å
33V94.1Very high89.9Confident1 Ų153.6 Ų53.61%0.00633%0.326CS..  trans-95.414.5-176.8-50.90000114.6I50 V52 L55 F84 F85 C86 R91 A95V33-I50 VanDerWaalsContact CA-O 3.25Å; V33-I50 WeakPolarHBondContact CA-O 3.23Å; V33-V52 HydrophobicContact CB-CB 4.18Å; V33-V52 HydrophobicContact CG2-CB 4.43Å; V33-V52 PolarHBondContact O-N 2.89Å; V33-V52 VanDerWaalsContact O-N 3.14Å; V33-L55 HydrophobicContact CG1-CD2 4.41Å; V33-F84 HydrophobicContact CG1-CD1 3.95Å; V33-F85 WeakPolarHBondContact CG2-O 3.44Å; V33-F85 PolarHBondContact N-O 3.29Å; V33-C86 HydrophobicContact CG2-CB 3.86Å; V33-R91 HydrophobicContact CG2-CB 3.95Å; V33-A95 HydrophobicContact CB-CB 4.14Å; V33-A95 HydrophobicContact CG1-CB 3.61Å; V33-A95 HydrophobicContact CG2-CB 3.95Å
34R92.6Very high89.9Confident4 Ų451.1 Ų51.12%0.01531%0.313CS..SBendtrans-74.6172.3170.6-62.2-178.3-63.3153.7-1.7111.7D32 E38 G42 N49 P51 C86 Q87D32-R34 VanDerWaalsContact C-N 3.34Å; D32-R34 WeakPolarHBondContact OD1-CB 3.43Å; D32-R34 WeakPolarHBondContact OD1-CG 3.43Å; D32-R34 IonicContact OD1-CZ 3.35Å; D32-R34 PolarHBondContact OD1-N 2.98Å; D32-R34 IonicContact OD1-NE 3.05Å; D32-R34 PolarHBondContact OD1-NE 2.92Å; D32-R34 IonicContact OD2-CZ 3.48Å; D32-R34 VanDerWaalsContact OD2-CZ 3.31Å; D32-R34 IonicContact OD2-NE 3.63Å; D32-R34 PolarHBondContact OD2-NE 3.1Å; D32-R34 VanDerWaalsContact OD2-NE 3.08Å; D32-R34 IonicContact OD2-NH2 3.95Å; D32-R34 PolarHBondContact OD2-NH2 2.96Å; R34-E38 HydrophobicContact CB-CB 3.81Å; R34-E38 HydrophobicContact CB-CG 4.44Å; R34-E38 WeakPolarHBondContact CD-OE1 3.23Å; R34-E38 PolarHBondContact NH1-O 3.01Å; R34-G42 PolarHBondContact NH2-O 3.45Å; R34-N49 PolarHBondContact O-ND2 2.82Å; R34-P51 WeakPolarHBondContact O-CA 3.41Å; R34-C86 HydrophobicContact CG-CB 4.12Å; R34-Q87 HydrophobicContact CG-CB 4.43Å
35S91.6Very high89.9Confident33 Ų3351.3 Ų51.323%0.23131%0.307CS..  trans-63.3158.3173.269.90000111E37 E38 A39S35-E37 PolarHBondContact O-N 3.04Å; S35-E38 PolarHBondContact N-OE2 3.17Å; S35-E38 PolarHBondContact O-N 3Å; S35-E38 WeakPolarHBondContact OG-CG 3.33Å; S35-E38 PolarHBondContact OG-N 3.39Å; S35-E38 PolarHBondContact OG-OE2 3.29Å; S35-A39 PolarHBondContact O-N 3.14Å
36R90.3Very high89.8Confident109 Ų10953 Ų5341%0.41133%0.331SS..Hα-helixtrans-59.8-35.2177.9-68.5170.3-175.9-85.64.9111.6A39 A40 N49 P51 E54R36-A39 PolarHBondContact O-N 3.14Å; R36-A40 VanDerWaalsContact O-CB 3.22Å; R36-A40 WeakPolarHBondContact O-CB 3.3Å; R36-A40 PolarHBondContact O-N 3.1Å; R36-N49 WeakPolarHBondContact CA-OD1 3.48Å; R36-N49 VanDerWaalsContact CG-OD1 3.3Å; R36-N49 WeakPolarHBondContact CG-OD1 3.48Å; R36-P51 HydrophobicContact CG-CG 3.92Å; R36-E54 IonicContact CZ-OE1 3.76Å; R36-E54 IonicContact CZ-OE2 3.24Å; R36-E54 IonicContact NE-OE1 3.9Å; R36-E54 PolarHBondContact NE-OE1 3.18Å; R36-E54 IonicContact NE-OE2 3.91Å; R36-E54 IonicContact NH2-OE1 2.78Å; R36-E54 PolarHBondContact NH2-OE1 3.22Å; R36-E54 IonicContact NH2-OE2 3Å; R36-E54 PolarHBondContact NH2-OE2 3.38Å
37E89.6Confident90.1Very high155 Ų15550.6 Ų50.672%0.72431%0.305SS*.Hα-helixtrans-65.5-45176.3-61.2141.6101.900111.9S35 A39 A40 A41S35-E37 PolarHBondContact O-N 3.04Å; E37-A39 VanDerWaalsContact C-N 3.33Å; E37-A39 PolarHBondContact O-N 3.4Å; E37-A40 PolarHBondContact O-N 3.38Å; E37-A41 PolarHBondContact O-N 2.93Å
38E89.4Confident90.4Very high41 Ų4144 Ų4419%0.19228%0.282CS..Hα-helixtrans-63.3-39.5176.9-75.8179.186.300111.7R34 S35 Q87 R91R34-E38 HydrophobicContact CB-CB 3.81Å; R34-E38 HydrophobicContact CB-CG 4.44Å; R34-E38 WeakPolarHBondContact CD-OE1 3.23Å; R34-E38 PolarHBondContact NH1-O 3.01Å; S35-E38 PolarHBondContact N-OE2 3.17Å; S35-E38 PolarHBondContact O-N 3Å; S35-E38 WeakPolarHBondContact OG-CG 3.33Å; S35-E38 PolarHBondContact OG-N 3.39Å; S35-E38 PolarHBondContact OG-OE2 3.29Å; E38-Q87 PolarHBondContact OE1-OE1 3.15Å; E38-R91 IonicContact OE1-CZ 3.62Å; E38-R91 IonicContact OE1-NH1 2.75Å; E38-R91 IonicContact OE1-NH2 3.39Å; E38-R91 PolarHBondContact OE1-NH2 3.3Å; E38-R91 IonicContact OE2-CZ 3.23Å; E38-R91 IonicContact OE2-NH1 2.83Å; E38-R91 PolarHBondContact OE2-NH1 3.21Å; E38-R91 IonicContact OE2-NH2 3.37Å; E38-R91 PolarHBondContact OE2-NH2 3.38Å
39A89.4Confident90.6Very high12 Ų1244.6 Ų44.610%0.09928%0.283CS..Hα-helixtrans-72-36.7177.900000112.1S35 R36 E37 A41 G42 N49S35-A39 PolarHBondContact O-N 3.14Å; R36-A39 PolarHBondContact O-N 3.14Å; E37-A39 VanDerWaalsContact C-N 3.33Å; E37-A39 PolarHBondContact O-N 3.4Å; A39-A41 VanDerWaalsContact C-N 3.32Å; A39-A41 PolarHBondContact O-N 2.78Å; A39-G42 CarbonylContact O-C 3.39Å; A39-G42 PolarHBondContact O-N 3.12Å; A39-G42 VanDerWaalsContact O-N 3.13Å; A39-N49 HydrophobicContact CB-CB 3.74Å; A39-N49 WeakPolarHBondContact CB-ND2 3.38Å
40A87.4Confident90.7Very high91 Ų9141.5 Ų41.575%0.75227%0.271SS*.Hα-helixtrans-66.7-31.8175.700000112.8R36 E37 G42R36-A40 VanDerWaalsContact O-CB 3.22Å; R36-A40 WeakPolarHBondContact O-CB 3.3Å; R36-A40 PolarHBondContact O-N 3.1Å; E37-A40 PolarHBondContact O-N 3.38Å; A40-G42 PolarHBondContact O-N 3.19Å
41A87.4Confident90.7Very high94 Ų9441.8 Ų41.878%0.77727%0.274SS*.THydrogen-bonded Turntrans-70.1-14.6173.300000113.5E37 A39E37-A41 PolarHBondContact O-N 2.93Å; A39-A41 VanDerWaalsContact C-N 3.32Å; A39-A41 PolarHBondContact O-N 2.78Å
42G86.8Confident90.6Very high23 Ų2342.9 Ų42.924%0.23728%0.28CS..  trans144.5134.8178.900000111.1R34 A39 A40 Y114R34-G42 PolarHBondContact NH2-O 3.45Å; A39-G42 CarbonylContact O-C 3.39Å; A39-G42 PolarHBondContact O-N 3.12Å; A39-G42 VanDerWaalsContact O-N 3.13Å; A40-G42 PolarHBondContact O-N 3.19Å; G42-Y114 WeakPolarHBondContact O-CE1 3.46Å; G42-Y114 VanDerWaalsContact O-CZ 3.24Å; G42-Y114 PolarHBondContact O-OH 3.23Å; G42-Y114 VanDerWaalsContact O-OH 3.14Å
43T91.1Very high90.4Very high44 Ų4448 Ų4827%0.2732%0.316SS..  trans-142.7175178.1-169.60000110.6D32 Y114D32-T43 WeakPolarHBondContact OD2-CB 3.37Å; D32-T43 PolarHBondContact OD2-OG1 3.27Å; T43-Y114 PolarHBondContact N-OH 3.02Å
44I88.6Confident90.3Very high1 Ų151.4 Ų51.41%0.00533%0.332CS..  trans-66.9130.3175.4-55.5-177.9000108.5L30 G46 A47 F85 Y110 Y114 W117L30-I44 HydrophobicContact CD1-CB 4.19Å; L30-I44 HydrophobicContact CD1-CG2 3.51Å; I44-G46 PolarHBondContact O-N 2.79Å; I44-A47 HydrophobicContact CB-CB 4.26Å; I44-A47 WeakPolarHBondContact O-CB 3.27Å; I44-A47 PolarHBondContact O-N 2.69Å; I44-F85 HydrophobicContact CB-CE1 4.39Å; I44-F85 HydrophobicContact CB-CE2 4.44Å; I44-F85 HydrophobicContact CB-CZ 3.87Å; I44-F85 HydrophobicContact CD1-CD1 4.16Å; I44-F85 HydrophobicContact CD1-CD2 3.87Å; I44-F85 HydrophobicContact CD1-CE1 3.95Å; I44-F85 HydrophobicContact CD1-CE2 3.64Å; I44-F85 HydrophobicContact CD1-CG 4.12Å; I44-F85 HydrophobicContact CD1-CZ 3.67Å; I44-F85 HydrophobicContact CG1-CD2 4.43Å; I44-F85 HydrophobicContact CG1-CE1 4.33Å; I44-F85 HydrophobicContact CG1-CE2 3.73Å; I44-F85 HydrophobicContact CG1-CZ 3.65Å; I44-Y110 HydrophobicContact CD1-CD1 4.48Å; I44-Y110 HydrophobicContact CD1-CE1 4.35Å; I44-Y114 HydrophobicContact CG1-CD2 3.83Å; I44-Y114 HydrophobicContact CG1-CE2 4.28Å; I44-W117 HydrophobicContact CB-CD2 4.48Å; I44-W117 HydrophobicContact CD1-CB 4.12Å; I44-W117 HydrophobicContact CD1-CD2 3.96Å; I44-W117 HydrophobicContact CD1-CE3 4.04Å; I44-W117 HydrophobicContact CD1-CG 3.97Å; I44-W117 HydrophobicContact CG1-CB 4.28Å; I44-W117 HydrophobicContact CG1-CD2 3.89Å; I44-W117 HydrophobicContact CG1-CE3 4.41Å; I44-W117 HydrophobicContact CG1-CG 3.77Å; I44-W117 HydrophobicContact CG2-CD2 3.96Å; I44-W117 HydrophobicContact CG2-CE3 4.1Å; I44-W117 HydrophobicContact CG2-CH2 3.93Å; I44-W117 HydrophobicContact CG2-CZ2 3.78Å; I44-W117 HydrophobicContact CG2-CZ3 4.08Å
45P87.4Confident90.3Very high97 Ų9751.2 Ų51.263%0.6333%0.331SS*.THydrogen-bonded Turntrans-53.7130.6177.9-27.435.1000112.4A47P45-A47 VanDerWaalsContact C-N 3.29Å; P45-A47 PolarHBondContact O-N 3.2Å
46G86.8Confident90.3Very high81 Ų8154.3 Ų54.384%0.83534%0.342SS*.THydrogen-bonded Turntrans80.32.5-177.200000115.1I44I44-G46 PolarHBondContact O-N 2.79Å
47A91.6Very high90.4Very high20 Ų2052.5 Ų52.517%0.16535%0.346CS..EExtended strand (participates in β ladder)trans-75.8135.3172.100000112.1L30 D32 I44 P45 F85L30-A47 HydrophobicContact CB-CB 3.77Å; D32-A47 HydrophobicContact CB-CB 4.35Å; I44-A47 HydrophobicContact CB-CB 4.26Å; I44-A47 WeakPolarHBondContact O-CB 3.27Å; I44-A47 PolarHBondContact O-N 2.69Å; P45-A47 VanDerWaalsContact C-N 3.29Å; P45-A47 PolarHBondContact O-N 3.2Å; A47-F85 HydrophobicContact CB-CE1 3.63Å; A47-F85 HydrophobicContact CB-CZ 3.6Å
48L93Very high90.5Very high32 Ų3245.1 Ų45.117%0.16831%0.312CS..EExtended strand (participates in β ladder)trans-89.1122.1170.2-174.463000109.6L30 F31 D32 I50 F66 A72L30-L48 PolarHBondContact O-N 2.73Å; F31-L48 CarbonylContact C-O 3.59Å; F31-L48 VanDerWaalsContact CA-O 3.28Å; F31-L48 WeakPolarHBondContact CA-O 3.38Å; F31-L48 HydrophobicContact CD1-CB 4.21Å; F31-L48 HydrophobicContact CD1-CD2 4.25Å; F31-L48 HydrophobicContact CE1-CD2 4Å; D32-L48 PolarHBondContact N-O 3.38Å; L48-I50 HydrophobicContact CD2-CD1 3.88Å; L48-I50 HydrophobicContact CD2-CG1 4.18Å; L48-I50 HydrophobicContact CG-CD1 4.31Å; L48-I50 HydrophobicContact CG-CG1 4.07Å; L48-I50 PolarHBondContact O-N 3.42Å; L48-F66 HydrophobicContact CD2-CE1 3.99Å; L48-F66 HydrophobicContact CD2-CZ 3.77Å; L48-A72 HydrophobicContact CD1-CB 3.62Å; L48-A72 HydrophobicContact CD2-CB 3.57Å; L48-A72 HydrophobicContact CG-CB 4.24Å
49N94.3Very high90.5Very high27 Ų2743.5 Ų43.514%0.14430%0.304CS..EExtended strand (participates in β ladder)trans-80.9117.5176.9177.7-123.2000111.5D32 R34 R36 A39 Y70D32-N49 HydrophobicContact CB-CB 4.41Å; D32-N49 CarbonylContact O-C 3.58Å; D32-N49 WeakPolarHBondContact O-CA 3.32Å; D32-N49 PolarHBondContact O-ND2 2.85Å; R34-N49 PolarHBondContact O-ND2 2.82Å; R36-N49 WeakPolarHBondContact CA-OD1 3.48Å; R36-N49 VanDerWaalsContact CG-OD1 3.3Å; R36-N49 WeakPolarHBondContact CG-OD1 3.48Å; A39-N49 HydrophobicContact CB-CB 3.74Å; A39-N49 WeakPolarHBondContact CB-ND2 3.38Å; N49-Y70 WeakPolarHBondContact O-CD1 3.07Å
50I93.4Very high90.6Very high0 Ų048.6 Ų48.60%033%0.326CS..  trans-13697.4173.9-52.7-179000107.3F31 D32 V33 L48 V52 L55 A58 F66 Y70F31-I50 HydrophobicContact CD1-CD1 3.7Å; F31-I50 HydrophobicContact CD1-CG1 4.41Å; F31-I50 HydrophobicContact CE1-CD1 4.07Å; D32-I50 CarbonylContact O-C 3.59Å; D32-I50 PolarHBondContact O-N 2.82Å; V33-I50 VanDerWaalsContact CA-O 3.25Å; V33-I50 WeakPolarHBondContact CA-O 3.23Å; L48-I50 HydrophobicContact CD2-CD1 3.88Å; L48-I50 HydrophobicContact CD2-CG1 4.18Å; L48-I50 HydrophobicContact CG-CD1 4.31Å; L48-I50 HydrophobicContact CG-CG1 4.07Å; L48-I50 PolarHBondContact O-N 3.42Å; I50-V52 PolarHBondContact O-N 2.94Å; I50-L55 HydrophobicContact CB-CD1 4.31Å; I50-L55 HydrophobicContact CD1-CD1 4.5Å; I50-L55 HydrophobicContact CG2-CB 4.15Å; I50-L55 HydrophobicContact CG2-CD1 3.75Å; I50-A58 HydrophobicContact CG2-CB 3.87Å; I50-F66 HydrophobicContact CD1-CE2 3.72Å; I50-F66 HydrophobicContact CD1-CZ 3.64Å; I50-Y70 HydrophobicContact CB-CE1 4.22Å; I50-Y70 HydrophobicContact CG1-CD1 3.96Å; I50-Y70 HydrophobicContact CG1-CE1 3.85Å; I50-Y70 HydrophobicContact CG2-CE1 4.1Å
51P93.3Very high90.8Very high12 Ų1246.4 Ų46.48%0.07830%0.301CS..  trans-51.8140-180-27.536.1000111.6R34 R36 S53 E54 L55R34-P51 WeakPolarHBondContact O-CA 3.41Å; R36-P51 HydrophobicContact CG-CG 3.92Å; P51-S53 PolarHBondContact O-N 2.98Å; P51-E54 HydrophobicContact CB-CG 4.44Å; P51-E54 WeakPolarHBondContact CG-OE1 3.42Å; P51-E54 WeakPolarHBondContact O-CA 3.34Å; P51-E54 PolarHBondContact O-N 3.01Å; P51-L55 PolarHBondContact O-N 2.74Å
52V90.8Very high91.1Very high23 Ų2348.6 Ų48.614%0.13930%0.295CS..Hα-helixtrans-54.1-30.9-177.768.40000113V33 I50 E54 L55 R91 Q94 A95V33-V52 HydrophobicContact CB-CB 4.18Å; V33-V52 HydrophobicContact CG2-CB 4.43Å; V33-V52 PolarHBondContact O-N 2.89Å; V33-V52 VanDerWaalsContact O-N 3.14Å; I50-V52 PolarHBondContact O-N 2.94Å; V52-E54 VanDerWaalsContact C-N 3.34Å; V52-L55 PolarHBondContact O-N 2.96Å; V52-R91 HydrophobicContact CG1-CG 4.43Å; V52-Q94 HydrophobicContact CG2-CG 4.26Å; V52-A95 HydrophobicContact CG2-CB 4.38Å
53S90.6Very high91.2Very high109 Ų10950.8 Ų50.876%0.76231%0.305SS*.Hα-helixtrans-68.6-29.2176.3-46.70000113.6P51P51-S53 PolarHBondContact O-N 2.98Å
54E91.9Very high91.3Very high72 Ų7252.2 Ų52.234%0.33632%0.321SS..Hα-helixtrans-95.5-15.2178.8-61.9-179-122.300111.9R36 P51 V52 E56 S57 A58 Y70R36-E54 IonicContact CZ-OE1 3.76Å; R36-E54 IonicContact CZ-OE2 3.24Å; R36-E54 IonicContact NE-OE1 3.9Å; R36-E54 PolarHBondContact NE-OE1 3.18Å; R36-E54 IonicContact NE-OE2 3.91Å; R36-E54 IonicContact NH2-OE1 2.78Å; R36-E54 PolarHBondContact NH2-OE1 3.22Å; R36-E54 IonicContact NH2-OE2 3Å; R36-E54 PolarHBondContact NH2-OE2 3.38Å; P51-E54 HydrophobicContact CB-CG 4.44Å; P51-E54 WeakPolarHBondContact CG-OE1 3.42Å; P51-E54 WeakPolarHBondContact O-CA 3.34Å; P51-E54 PolarHBondContact O-N 3.01Å; V52-E54 VanDerWaalsContact C-N 3.34Å; E54-E56 PolarHBondContact O-N 3.35Å; E54-S57 PolarHBondContact O-N 3.37Å; E54-A58 VanDerWaalsContact O-CB 3.29Å; E54-A58 WeakPolarHBondContact O-CB 3.48Å; E54-A58 PolarHBondContact O-N 2.86Å; E54-Y70 PolarHBondContact OE2-OH 2.98Å
55L91.1Very high91.5Very high0 Ų054.1 Ų54.10%034%0.337CS..Hα-helixtrans-59.5-41.2-171.6-177.365.2000113.2V33 I50 P51 V52 A58 L59 F84 A95 L98V33-L55 HydrophobicContact CG1-CD2 4.41Å; I50-L55 HydrophobicContact CB-CD1 4.31Å; I50-L55 HydrophobicContact CD1-CD1 4.5Å; I50-L55 HydrophobicContact CG2-CB 4.15Å; I50-L55 HydrophobicContact CG2-CD1 3.75Å; P51-L55 PolarHBondContact O-N 2.74Å; V52-L55 PolarHBondContact O-N 2.96Å; L55-A58 PolarHBondContact O-N 3.31Å; L55-L59 HydrophobicContact CD1-CD1 3.89Å; L55-L59 HydrophobicContact CD1-CD2 4.42Å; L55-L59 HydrophobicContact CD1-CG 3.94Å; L55-L59 HydrophobicContact CG-CD1 3.93Å; L55-L59 HydrophobicContact CG-CG 4.31Å; L55-L59 WeakPolarHBondContact O-CB 3.48Å; L55-L59 VanDerWaalsContact O-CG 3.27Å; L55-L59 WeakPolarHBondContact O-CG 3.06Å; L55-L59 PolarHBondContact O-N 2.9Å; L55-F84 HydrophobicContact CD1-CE1 4.02Å; L55-F84 HydrophobicContact CD2-CD1 4.37Å; L55-F84 HydrophobicContact CD2-CE1 4.22Å; L55-A95 HydrophobicContact CD2-CB 3.32Å; L55-L98 HydrophobicContact CB-CD2 4.22Å; L55-L98 HydrophobicContact CD2-CD2 4.15Å; L55-L98 HydrophobicContact CG-CD2 4.17Å
56E91.8Very high91.8Very high97 Ų9749.5 Ų49.545%0.45331%0.307SS..Hα-helixtrans-59.5-54.1178.4-174.6170.4-120.300110.8E54 A58 L59 Q60 L98E54-E56 PolarHBondContact O-N 3.35Å; E56-A58 VanDerWaalsContact C-N 3.3Å; E56-A58 PolarHBondContact O-N 2.66Å; E56-L59 PolarHBondContact O-N 2.76Å; E56-Q60 WeakPolarHBondContact O-CG 3.29Å; E56-Q60 PolarHBondContact O-N 3.48Å; E56-L98 HydrophobicContact CB-CD1 4.26Å; E56-L98 HydrophobicContact CB-CD2 3.82Å; E56-L98 HydrophobicContact CG-CD1 4.16Å
57S92.9Very high92Very high72 Ų7251.5 Ų51.550%0.50330%0.295SS..Hα-helixtrans-60.3-40.1176.7-55.70000111.7E54 L59 Q60 M61E54-S57 PolarHBondContact O-N 3.37Å; S57-L59 PolarHBondContact O-N 2.82Å; S57-Q60 PolarHBondContact O-N 3.37Å; S57-M61 VanDerWaalsContact O-CB 3.29Å; S57-M61 WeakPolarHBondContact O-CB 3.44Å; S57-M61 WeakPolarHBondContact O-CE 3.42Å; S57-M61 WeakPolarHBondContact O-CG 3.49Å; S57-M61 PolarHBondContact O-N 3.39Å
58A91.8Very high92Very high0 Ų054.4 Ų54.40%032%0.319CS..Hα-helixtrans-63.3-39178.300000112.6I50 E54 L55 E56 M61 F66 Y70I50-A58 HydrophobicContact CG2-CB 3.87Å; E54-A58 VanDerWaalsContact O-CB 3.29Å; E54-A58 WeakPolarHBondContact O-CB 3.48Å; E54-A58 PolarHBondContact O-N 2.86Å; L55-A58 PolarHBondContact O-N 3.31Å; E56-A58 VanDerWaalsContact C-N 3.3Å; E56-A58 PolarHBondContact O-N 2.66Å; A58-M61 HydrophobicContact CB-CE 4.5Å; A58-M61 VanDerWaalsContact O-CG 3.27Å; A58-M61 WeakPolarHBondContact O-CG 3.39Å; A58-F66 HydrophobicContact CB-CD2 4.12Å; A58-F66 HydrophobicContact CB-CE2 4.01Å; A58-F66 VanDerWaalsContact O-CD2 3.28Å; A58-F66 WeakPolarHBondContact O-CD2 3.48Å; A58-Y70 HydrophobicContact CB-CE2 3.73Å
59L89.8Confident91.9Very high7 Ų757.9 Ų57.94%0.03734%0.337CS..Hα-helixtrans-78.7-23.4178.8-67.2178.8000112.6L55 E56 S57 K74 P75 A99 L102 Y104L55-L59 HydrophobicContact CD1-CD1 3.89Å; L55-L59 HydrophobicContact CD1-CD2 4.42Å; L55-L59 HydrophobicContact CD1-CG 3.94Å; L55-L59 HydrophobicContact CG-CD1 3.93Å; L55-L59 HydrophobicContact CG-CG 4.31Å; L55-L59 WeakPolarHBondContact O-CB 3.48Å; L55-L59 VanDerWaalsContact O-CG 3.27Å; L55-L59 WeakPolarHBondContact O-CG 3.06Å; L55-L59 PolarHBondContact O-N 2.9Å; E56-L59 PolarHBondContact O-N 2.76Å; S57-L59 PolarHBondContact O-N 2.82Å; L59-K74 WeakPolarHBondContact O-CE 3.27Å; L59-K74 PolarHBondContact O-NZ 3.48Å; L59-P75 HydrophobicContact CD2-CG 3.85Å; L59-A99 HydrophobicContact CD1-CB 3.77Å; L59-L102 HydrophobicContact CB-CD1 3.55Å; L59-L102 HydrophobicContact CD1-CD1 3.86Å; L59-L102 HydrophobicContact CG-CD1 4.37Å; L59-Y104 HydrophobicContact CB-CE2 3.87Å; L59-Y104 HydrophobicContact CD1-CD2 4.28Å; L59-Y104 HydrophobicContact CD1-CE2 4.15Å; L59-Y104 HydrophobicContact CD2-CD2 4.48Å; L59-Y104 HydrophobicContact CD2-CE1 4.21Å; L59-Y104 HydrophobicContact CD2-CE2 3.89Å; L59-Y104 HydrophobicContact CG-CE2 4.18Å; L59-Y104 PolarHBondContact O-OH 2.89Å
60Q90.7Very high91.6Very high119 Ų11957.5 Ų57.556%0.55633%0.334SS*.Hα-helixtrans-92.6-24177.8-67.6-173.433.400114.4E56 S57 L102E56-Q60 WeakPolarHBondContact O-CG 3.29Å; E56-Q60 PolarHBondContact O-N 3.48Å; S57-Q60 PolarHBondContact O-N 3.37Å; Q60-L102 HydrophobicContact CG-CD1 4.3Å; Q60-L102 HydrophobicContact CG-CD2 4.07Å
61M92.4Very high91.4Very high44 Ų4462.9 Ų62.922%0.21737%0.371CS..SBendtrans-68.7162.9-179.564.9178.354.500113.3S57 A58 A65 F66 L69 Y70 K74S57-M61 VanDerWaalsContact O-CB 3.29Å; S57-M61 WeakPolarHBondContact O-CB 3.44Å; S57-M61 WeakPolarHBondContact O-CE 3.42Å; S57-M61 WeakPolarHBondContact O-CG 3.49Å; S57-M61 PolarHBondContact O-N 3.39Å; A58-M61 HydrophobicContact CB-CE 4.5Å; A58-M61 VanDerWaalsContact O-CG 3.27Å; A58-M61 WeakPolarHBondContact O-CG 3.39Å; M61-A65 HydrophobicContact CB-CB 4.48Å; M61-A65 HydrophobicContact SD-CB 4.3Å; M61-F66 HydrophobicContact CG-CB 4.14Å; M61-F66 HydrophobicContact SD-CB 3.96Å; M61-F66 HydrophobicContact SD-CD2 4.33Å; M61-L69 HydrophobicContact CE-CD1 3.69Å; M61-L69 HydrophobicContact SD-CD1 3.82Å; M61-Y70 HydrophobicContact SD-CE2 4.48Å; M61-K74 PolarHBondContact O-NZ 2.84Å
62E92.6Very high91.2Very high140 Ų14063.3 Ų63.365%0.65438%0.376SS*.  trans-60.6144.9176.6-73.6-63.2107.400112.3A64 A65 F66E62-A64 PolarHBondContact O-N 2.94Å; E62-A65 HydrophobicContact CB-CB 4.43Å; E62-A65 PolarHBondContact O-N 2.88Å; E62-F66 PolarHBondContact O-N 3.4Å
63P90.4Very high91.2Very high70 Ų7067.8 Ų67.846%0.45540%0.395SS..Hα-helixtrans-54.2-37.6178.8-25.433.4000113.6F66 Q67 K74P63-F66 PolarHBondContact O-N 2.64Å; P63-Q67 WeakPolarHBondContact O-CB 3.4Å; P63-Q67 PolarHBondContact O-N 2.92Å; P63-K74 HydrophobicContact CB-CB 4.32Å; P63-K74 HydrophobicContact CB-CD 4.47Å; P63-K74 HydrophobicContact CG-CD 4.25Å
64A91.9Very high91.1Very high73 Ų7364.3 Ų64.360%0.60337%0.366SS*.Hα-helixtrans-65.7-39.5177.300000112.6E62 Q67 A68E62-A64 PolarHBondContact O-N 2.94Å; A64-Q67 PolarHBondContact O-N 3.05Å; A64-A68 WeakPolarHBondContact O-CB 3.46Å; A64-A68 PolarHBondContact O-N 3.32Å
65A92.9Very high91Very high41 Ų4161.1 Ų61.134%0.33935%0.352SS..Hα-helixtrans-69.1-41.3176.700000111.2M61 E62 Q67 A68 L69M61-A65 HydrophobicContact CB-CB 4.48Å; M61-A65 HydrophobicContact SD-CB 4.3Å; E62-A65 HydrophobicContact CB-CB 4.43Å; E62-A65 PolarHBondContact O-N 2.88Å; A65-Q67 VanDerWaalsContact C-N 3.34Å; A65-Q67 PolarHBondContact O-N 3.25Å; A65-A68 PolarHBondContact O-N 2.91Å; A65-L69 WeakPolarHBondContact O-CB 3.42Å; A65-L69 WeakPolarHBondContact O-CG 3.43Å; A65-L69 PolarHBondContact O-N 3.32Å
66F93.4Very high90.9Very high0 Ų066.1 Ų66.10%037%0.373CS..Hα-helixtrans-59.4-46.1174.4-175.1-82000111.3L48 I50 A58 M61 E62 P63 A68 L69 Y70 A72 E73 K74L48-F66 HydrophobicContact CD2-CE1 3.99Å; L48-F66 HydrophobicContact CD2-CZ 3.77Å; I50-F66 HydrophobicContact CD1-CE2 3.72Å; I50-F66 HydrophobicContact CD1-CZ 3.64Å; A58-F66 HydrophobicContact CB-CD2 4.12Å; A58-F66 HydrophobicContact CB-CE2 4.01Å; A58-F66 VanDerWaalsContact O-CD2 3.28Å; A58-F66 WeakPolarHBondContact O-CD2 3.48Å; M61-F66 HydrophobicContact CG-CB 4.14Å; M61-F66 HydrophobicContact SD-CB 3.96Å; M61-F66 HydrophobicContact SD-CD2 4.33Å; E62-F66 PolarHBondContact O-N 3.4Å; P63-F66 PolarHBondContact O-N 2.64Å; F66-A68 VanDerWaalsContact C-N 3.34Å; F66-A68 PolarHBondContact O-N 2.81Å; F66-L69 PolarHBondContact O-N 3.39Å; F66-Y70 HydrophobicContact CD1-CD2 4.31Å; F66-Y70 AromaticContact CD2-CD2 3.7Å; F66-Y70 HydrophobicContact CD2-CD2 3.7Å; F66-Y70 HydrophobicContact CD2-CE2 4.05Å; F66-Y70 HydrophobicContact CE1-CD2 4.35Å; F66-Y70 AromaticContact CE2-CD2 3.79Å; F66-Y70 HydrophobicContact CE2-CD2 3.79Å; F66-Y70 HydrophobicContact CE2-CE2 4.15Å; F66-Y70 HydrophobicContact CE2-CG 4.47Å; F66-Y70 HydrophobicContact CG-CD2 4Å; F66-Y70 HydrophobicContact CZ-CD2 4.13Å; F66-Y70 HydrophobicContact CZ-CG 4.4Å; F66-Y70 WeakPolarHBondContact O-CB 3.32Å; F66-Y70 WeakPolarHBondContact O-CD2 3.46Å; F66-Y70 PolarHBondContact O-N 3.49Å; F66-A72 VanDerWaalsContact CD1-O 3.23Å; F66-A72 WeakPolarHBondContact CD1-O 3.27Å; F66-A72 HydrophobicContact CE1-CB 4.26Å; F66-A72 WeakPolarHBondContact CE1-O 3.44Å; F66-E73 WeakPolarHBondContact CE1-O 3.13Å; F66-K74 HydrophobicContact CB-CB 4.05Å; F66-K74 HydrophobicContact CB-CD 4.48Å; F66-K74 HydrophobicContact CB-CG 4.31Å; F66-K74 VanDerWaalsContact CD1-CA 3.48Å; F66-K74 HydrophobicContact CD1-CB 3.79Å; F66-K74 HydrophobicContact CD1-CG 4.37Å; F66-K74 HydrophobicContact CD2-CB 4.44Å; F66-K74 HydrophobicContact CD2-CG 4.15Å; F66-K74 HydrophobicContact CE1-CB 4.34Å; F66-K74 HydrophobicContact CG-CB 3.84Å; F66-K74 HydrophobicContact CG-CG 4.03Å
67Q91Very high90.8Very high123 Ų12365.9 Ų65.958%0.57538%0.375SS*.Hα-helixtrans-63.7-39.3177.3-174174.50.300112P63 A64 A65 S71 A72P63-Q67 WeakPolarHBondContact O-CB 3.4Å; P63-Q67 PolarHBondContact O-N 2.92Å; A64-Q67 PolarHBondContact O-N 3.05Å; A65-Q67 VanDerWaalsContact C-N 3.34Å; A65-Q67 PolarHBondContact O-N 3.25Å; Q67-S71 WeakPolarHBondContact O-CA 3.28Å; Q67-S71 PolarHBondContact O-N 2.83Å; Q67-A72 WeakPolarHBondContact CA-O 3.41Å
68A92.3Very high90.6Very high82 Ų8270.4 Ų70.468%0.67839%0.388SS*.Hα-helixtrans-65.4-37.3176.200000112.9A64 A65 F66A64-A68 WeakPolarHBondContact O-CB 3.46Å; A64-A68 PolarHBondContact O-N 3.32Å; A65-A68 PolarHBondContact O-N 2.91Å; F66-A68 VanDerWaalsContact C-N 3.34Å; F66-A68 PolarHBondContact O-N 2.81Å
69L90.1Very high90.4Very high104 Ų10472.3 Ų72.355%0.54540%0.398SS..Hα-helixtrans-82.8-42-177.1-74170.8000113.7M61 A65 F66M61-L69 HydrophobicContact CE-CD1 3.69Å; M61-L69 HydrophobicContact SD-CD1 3.82Å; A65-L69 WeakPolarHBondContact O-CB 3.42Å; A65-L69 WeakPolarHBondContact O-CG 3.43Å; A65-L69 PolarHBondContact O-N 3.32Å; F66-L69 PolarHBondContact O-N 3.39Å
70Y89.4Confident90.2Very high20 Ų2077.7 Ų77.78%0.07842%0.423CS..Hα-helixtrans-106.6-4.1-172.3-63.5-76.2000113.1N49 I50 E54 A58 M61 F66 A72N49-Y70 WeakPolarHBondContact O-CD1 3.07Å; I50-Y70 HydrophobicContact CB-CE1 4.22Å; I50-Y70 HydrophobicContact CG1-CD1 3.96Å; I50-Y70 HydrophobicContact CG1-CE1 3.85Å; I50-Y70 HydrophobicContact CG2-CE1 4.1Å; E54-Y70 PolarHBondContact OE2-OH 2.98Å; A58-Y70 HydrophobicContact CB-CE2 3.73Å; M61-Y70 HydrophobicContact SD-CE2 4.48Å; F66-Y70 HydrophobicContact CD1-CD2 4.31Å; F66-Y70 AromaticContact CD2-CD2 3.7Å; F66-Y70 HydrophobicContact CD2-CD2 3.7Å; F66-Y70 HydrophobicContact CD2-CE2 4.05Å; F66-Y70 HydrophobicContact CE1-CD2 4.35Å; F66-Y70 AromaticContact CE2-CD2 3.79Å; F66-Y70 HydrophobicContact CE2-CD2 3.79Å; F66-Y70 HydrophobicContact CE2-CE2 4.15Å; F66-Y70 HydrophobicContact CE2-CG 4.47Å; F66-Y70 HydrophobicContact CG-CD2 4Å; F66-Y70 HydrophobicContact CZ-CD2 4.13Å; F66-Y70 HydrophobicContact CZ-CG 4.4Å; F66-Y70 WeakPolarHBondContact O-CB 3.32Å; F66-Y70 WeakPolarHBondContact O-CD2 3.46Å; F66-Y70 PolarHBondContact O-N 3.49Å; Y70-A72 PolarHBondContact O-N 3.31Å; Y70-A72 VanDerWaalsContact O-N 3.12Å
71S89.3Confident90.1Very high112 Ų11273.5 Ų73.578%0.78340%0.404SS*.SBendtrans52.132-175.8-60.40000112.9Q67Q67-S71 WeakPolarHBondContact O-CA 3.28Å; Q67-S71 PolarHBondContact O-N 2.83Å
72A89.1Confident90.2Very high21 Ų2171.4 Ų71.417%0.17439%0.393CS..SBendtrans-141154.7-175.600000110.7L48 F66 Q67 Y70L48-A72 HydrophobicContact CD1-CB 3.62Å; L48-A72 HydrophobicContact CD2-CB 3.57Å; L48-A72 HydrophobicContact CG-CB 4.24Å; F66-A72 VanDerWaalsContact CD1-O 3.23Å; F66-A72 WeakPolarHBondContact CD1-O 3.27Å; F66-A72 HydrophobicContact CE1-CB 4.26Å; F66-A72 WeakPolarHBondContact CE1-O 3.44Å; Q67-A72 WeakPolarHBondContact CA-O 3.41Å; Y70-A72 PolarHBondContact O-N 3.31Å; Y70-A72 VanDerWaalsContact O-N 3.12Å
73E88.9Confident90.2Very high118 Ų11864.8 Ų64.855%0.55136%0.362SS*.PPolyproline II helixtrans-69.1135.7174.9-170.5174.414000110R29 F66 K76R29-E73 PolarHBondContact NH2-O 3.21Å; F66-E73 WeakPolarHBondContact CE1-O 3.13Å; E73-K76 WeakPolarHBondContact OE1-CE 3.28Å; E73-K76 IonicContact OE1-NZ 3.37Å; E73-K76 PolarHBondContact OE1-NZ 3.12Å
74K89.7Confident90.4Very high35 Ų3561.4 Ų61.415%0.15234%0.341CS..PPolyproline II helixtrans-62.2135.5174.2-171.2-177.5174-179.30109.8L59 M61 P63 F66 Y104L59-K74 WeakPolarHBondContact O-CE 3.27Å; L59-K74 PolarHBondContact O-NZ 3.48Å; M61-K74 PolarHBondContact O-NZ 2.84Å; P63-K74 HydrophobicContact CB-CB 4.32Å; P63-K74 HydrophobicContact CB-CD 4.47Å; P63-K74 HydrophobicContact CG-CD 4.25Å; F66-K74 HydrophobicContact CB-CB 4.05Å; F66-K74 HydrophobicContact CB-CD 4.48Å; F66-K74 HydrophobicContact CB-CG 4.31Å; F66-K74 VanDerWaalsContact CD1-CA 3.48Å; F66-K74 HydrophobicContact CD1-CB 3.79Å; F66-K74 HydrophobicContact CD1-CG 4.37Å; F66-K74 HydrophobicContact CD2-CB 4.44Å; F66-K74 HydrophobicContact CD2-CG 4.15Å; F66-K74 HydrophobicContact CE1-CB 4.34Å; F66-K74 HydrophobicContact CG-CB 3.84Å; F66-K74 HydrophobicContact CG-CG 4.03Å; K74-Y104 VanDerWaalsContact CE-OH 3.27Å; K74-Y104 WeakPolarHBondContact CE-OH 3.39Å
75P89.9Confident90.5Very high5 Ų558 Ų583%0.03231%0.312CS..PPolyproline II helixtrans-59.1146.2171.525.2-32.5000111.7F31 L59 D79 L82 Y104F31-P75 HydrophobicContact CE1-CG 4.33Å; F31-P75 HydrophobicContact CZ-CB 4.12Å; F31-P75 HydrophobicContact CZ-CG 4.01Å; L59-P75 HydrophobicContact CD2-CG 3.85Å; P75-D79 WeakPolarHBondContact CA-OD2 3.45Å; P75-L82 HydrophobicContact CB-CD1 4.08Å; P75-L82 HydrophobicContact CB-CD2 3.73Å; P75-Y104 HydrophobicContact CB-CD1 4.33Å; P75-Y104 HydrophobicContact CB-CE1 3.93Å; P75-Y104 HydrophobicContact CG-CD1 4.5Å; P75-Y104 HydrophobicContact CG-CE1 3.86Å; P75-Y104 WeakPolarHBondContact O-CE1 3.38Å
76K89.6Confident90.4Very high105 Ų10556 Ų5646%0.45730%0.296SS..PPolyproline II helixtrans-91.1153.8173.2-63170.7-171.5161.60109E73 E78 D79E73-K76 WeakPolarHBondContact OE1-CE 3.28Å; E73-K76 IonicContact OE1-NZ 3.37Å; E73-K76 PolarHBondContact OE1-NZ 3.12Å; K76-E78 PolarHBondContact O-N 2.87Å; K76-D79 PolarHBondContact N-OD2 2.98Å; K76-D79 WeakPolarHBondContact O-CB 3.29Å; K76-D79 PolarHBondContact O-N 3.47Å
77L88.8Confident90.1Very high93 Ų9359.8 Ų59.849%0.48731%0.314SS..THydrogen-bonded Turntrans-62.6-25.9176.4-61.3175.1000112.1Y104L77-Y104 HydrophobicContact CD2-CD1 4Å; L77-Y104 HydrophobicContact CD2-CD2 3.73Å; L77-Y104 HydrophobicContact CD2-CE1 3.94Å; L77-Y104 HydrophobicContact CD2-CE2 3.65Å; L77-Y104 HydrophobicContact CD2-CG 3.92Å
78E87.8Confident89.7Confident166 Ų16660.4 Ų60.478%0.77632%0.318SS*.THydrogen-bonded Turntrans-81.6-15.5178.1-38.9175.8-128.300112.9K76 E80K76-E78 PolarHBondContact O-N 2.87Å; E78-E80 PolarHBondContact O-N 3.29Å
79D87.9Confident89.1Confident40 Ų4056.9 Ų56.921%0.21429%0.29CS..  trans-64.8126.1-176.2-78.1-13.6000109.7R29 P75 K76 L82 G106R29-D79 IonicContact NH1-OD2 3.31Å; R29-D79 PolarHBondContact NH1-OD2 2.9Å; P75-D79 WeakPolarHBondContact CA-OD2 3.45Å; K76-D79 PolarHBondContact N-OD2 2.98Å; K76-D79 WeakPolarHBondContact O-CB 3.29Å; K76-D79 PolarHBondContact O-N 3.47Å; D79-L82 HydrophobicContact CB-CD1 4.25Å; D79-L82 HydrophobicContact CB-CD2 3.75Å; D79-L82 HydrophobicContact CB-CG 4.1Å; D79-G106 WeakPolarHBondContact O-CA 3.16Å
80E85.9Confident89Confident121 Ų12160.6 Ų60.657%0.56530%0.302SS*.SBendtrans-86.4155.7172.9-60.6-166.993.200110.9E78 L82E78-E80 PolarHBondContact O-N 3.29Å; E80-L82 PolarHBondContact O-N 2.98Å
81H89.6Confident89Confident31 Ų3163.3 Ų63.314%0.14431%0.312CS..  trans58.945.9174.5-49.2-72000114.7L22 A28 R29 I83 G106L22-H81 HydrophobicContact CD1-CB 4.3Å; A28-H81 HydrophobicContact CB-CB 4.42Å; R29-H81 PolarHBondContact N-O 2.92Å; R29-H81 VanDerWaalsContact N-O 3.12Å; H81-I83 HydrophobicContact CB-CD1 4.23Å; H81-I83 WeakPolarHBondContact O-CG1 3.12Å; H81-I83 PolarHBondContact O-N 3.47Å; H81-G106 PolarHBondContact N-O 3.26Å
82L93.2Very high89Confident0 Ų058 Ų580%027%0.274CS..EExtended strand (participates in β ladder)trans-77.897.7167.2-56.9173.3000108.3R29 F31 P75 D79 E80 F84 Y104 G106 A107 R108R29-L82 HydrophobicContact CB-CD2 4.07Å; R29-L82 HydrophobicContact CG-CD2 4.41Å; F31-L82 HydrophobicContact CD2-CB 4.48Å; F31-L82 HydrophobicContact CE2-CB 3.94Å; F31-L82 HydrophobicContact CE2-CD2 3.65Å; F31-L82 HydrophobicContact CE2-CG 4.37Å; F31-L82 HydrophobicContact CZ-CD2 4Å; P75-L82 HydrophobicContact CB-CD1 4.08Å; P75-L82 HydrophobicContact CB-CD2 3.73Å; D79-L82 HydrophobicContact CB-CD1 4.25Å; D79-L82 HydrophobicContact CB-CD2 3.75Å; D79-L82 HydrophobicContact CB-CG 4.1Å; E80-L82 PolarHBondContact O-N 2.98Å; L82-F84 HydrophobicContact CB-CE2 3.89Å; L82-F84 HydrophobicContact CB-CZ 4.33Å; L82-F84 WeakPolarHBondContact O-CD2 3.33Å; L82-F84 WeakPolarHBondContact O-CE2 3.29Å; L82-Y104 HydrophobicContact CD1-CD1 3.64Å; L82-Y104 HydrophobicContact CD1-CG 4.24Å; L82-G106 PolarHBondContact N-O 3.48Å; L82-A107 CarbonylContact O-C 3.58Å; L82-A107 WeakPolarHBondContact O-CA 3.49Å; L82-R108 PolarHBondContact O-N 3.41Å
83I93.9Very high89Confident0 Ų060.4 Ų60.40%028%0.284CS..EExtended strand (participates in β ladder)trans-94.7112.9-172.1-48.1-50.9000110.2V14 L19 L22 A28 R29 L30 F31 H81 R108V14-I83 HydrophobicContact CB-CD1 4.41Å; V14-I83 HydrophobicContact CG2-CD1 3.74Å; L19-I83 HydrophobicContact CD1-CB 4.5Å; L19-I83 HydrophobicContact CD1-CG1 4.19Å; L19-I83 HydrophobicContact CD1-CG2 4.22Å; L22-I83 HydrophobicContact CD1-CD1 4.46Å; A28-I83 HydrophobicContact CB-CG1 4.12Å; R29-I83 PolarHBondContact O-N 3.23Å; L30-I83 CarbonylContact C-O 3.55Å; L30-I83 WeakPolarHBondContact CA-O 3.4Å; L30-I83 HydrophobicContact CD2-CB 3.83Å; L30-I83 HydrophobicContact CD2-CG2 3.83Å; F31-I83 PolarHBondContact N-O 3.47Å; H81-I83 HydrophobicContact CB-CD1 4.23Å; H81-I83 WeakPolarHBondContact O-CG1 3.12Å; H81-I83 PolarHBondContact O-N 3.47Å; I83-R108 CarbonylContact C-O 3.45Å; I83-R108 WeakPolarHBondContact CA-O 3.46Å; I83-R108 HydrophobicContact CD1-CB 3.83Å; I83-R108 HydrophobicContact CD1-CG 4.32Å
84F94.3Very high89.1Confident0 Ų060 Ų600%028%0.283CS..EExtended strand (participates in β ladder)trans-96.5135.7175.1-60.5-86.2000110.3F31 V33 L55 L82 A95 M96 A99 A107 R108 N109 Y110F31-F84 HydrophobicContact CB-CD1 3.51Å; F31-F84 HydrophobicContact CB-CE1 3.68Å; F31-F84 HydrophobicContact CB-CG 4.35Å; F31-F84 HydrophobicContact CD1-CE1 4.46Å; F31-F84 HydrophobicContact CD2-CD1 4.21Å; F31-F84 AromaticContact CD2-CE1 3.8Å; F31-F84 HydrophobicContact CD2-CE1 3.8Å; F31-F84 HydrophobicContact CD2-CE2 4.48Å; F31-F84 AromaticContact CD2-CZ 3.96Å; F31-F84 HydrophobicContact CD2-CZ 3.96Å; F31-F84 HydrophobicContact CE2-CZ 4.41Å; F31-F84 HydrophobicContact CG-CD1 4.06Å; F31-F84 AromaticContact CG-CE1 3.72Å; F31-F84 HydrophobicContact CG-CE1 3.72Å; F31-F84 HydrophobicContact CG-CZ 4.32Å; V33-F84 HydrophobicContact CG1-CD1 3.95Å; L55-F84 HydrophobicContact CD1-CE1 4.02Å; L55-F84 HydrophobicContact CD2-CD1 4.37Å; L55-F84 HydrophobicContact CD2-CE1 4.22Å; L82-F84 HydrophobicContact CB-CE2 3.89Å; L82-F84 HydrophobicContact CB-CZ 4.33Å; L82-F84 WeakPolarHBondContact O-CD2 3.33Å; L82-F84 WeakPolarHBondContact O-CE2 3.29Å; F84-A95 HydrophobicContact CB-CB 4.11Å; F84-A95 HydrophobicContact CD1-CB 3.97Å; F84-A95 HydrophobicContact CG-CB 4.17Å; F84-M96 HydrophobicContact CD2-CB 4.2Å; F84-A99 HydrophobicContact CE2-CB 3.78Å; F84-A99 HydrophobicContact CZ-CB 3.68Å; F84-A107 HydrophobicContact CD2-CB 4.19Å; F84-A107 HydrophobicContact CE2-CB 3.62Å; F84-R108 PolarHBondContact N-O 3.27Å; F84-N109 CarbonylContact O-C 3.52Å; F84-N109 WeakPolarHBondContact O-CA 3.25Å; F84-N109 PolarHBondContact O-OD1 3.28Å; F84-Y110 PolarHBondContact O-N 3.16Å
85F93.8Very high89.3Confident0 Ų058.4 Ų58.40%028%0.275CS..EExtended strand (participates in β ladder)trans-144.5158.3175.171.6-84.8000111.1L30 F31 D32 V33 I44 A47 Y110 Y114L30-F85 HydrophobicContact CB-CE1 4.13Å; L30-F85 HydrophobicContact CD2-CD1 3.69Å; L30-F85 HydrophobicContact CD2-CE1 3.79Å; L30-F85 HydrophobicContact CG-CE1 4.45Å; F31-F85 VanDerWaalsContact O-CD1 3.32Å; F31-F85 WeakPolarHBondContact O-CD1 3.45Å; F31-F85 PolarHBondContact O-N 2.83Å; D32-F85 HydrophobicContact CB-CE1 3.97Å; D32-F85 HydrophobicContact CB-CE2 3.93Å; D32-F85 HydrophobicContact CB-CZ 3.48Å; D32-F85 VanDerWaalsContact CB-CZ 3.48Å; V33-F85 WeakPolarHBondContact CG2-O 3.44Å; V33-F85 PolarHBondContact N-O 3.29Å; I44-F85 HydrophobicContact CB-CE1 4.39Å; I44-F85 HydrophobicContact CB-CE2 4.44Å; I44-F85 HydrophobicContact CB-CZ 3.87Å; I44-F85 HydrophobicContact CD1-CD1 4.16Å; I44-F85 HydrophobicContact CD1-CD2 3.87Å; I44-F85 HydrophobicContact CD1-CE1 3.95Å; I44-F85 HydrophobicContact CD1-CE2 3.64Å; I44-F85 HydrophobicContact CD1-CG 4.12Å; I44-F85 HydrophobicContact CD1-CZ 3.67Å; I44-F85 HydrophobicContact CG1-CD2 4.43Å; I44-F85 HydrophobicContact CG1-CE1 4.33Å; I44-F85 HydrophobicContact CG1-CE2 3.73Å; I44-F85 HydrophobicContact CG1-CZ 3.65Å; A47-F85 HydrophobicContact CB-CE1 3.63Å; A47-F85 HydrophobicContact CB-CZ 3.6Å; F85-Y110 HydrophobicContact CB-CD1 3.89Å; F85-Y110 HydrophobicContact CB-CG 4.47Å; F85-Y110 HydrophobicContact CG-CD1 4.49Å; F85-Y114 HydrophobicContact CE2-CD2 4.43Å
86C90.9Very high89.5Confident1 Ų158.5 Ų58.51%0.00728%0.276CS..  trans-132.2-152.3171.772.80000110.5V33 R34 G89 R91 G92 A113 Y114V33-C86 HydrophobicContact CG2-CB 3.86Å; R34-C86 HydrophobicContact CG-CB 4.12Å; C86-G89 VanDerWaalsContact SG-CA 3.57Å; C86-G89 PolarHBondContact SG-N 3.42Å; C86-R91 HydrophobicContact CB-CB 3.63Å; C86-R91 PolarHBondContact SG-N 3.31Å; C86-R91 VanDerWaalsContact SG-N 3.4Å; C86-G92 PolarHBondContact SG-N 3.49Å; C86-G92 VanDerWaalsContact SG-N 3.45Å; C86-A113 WeakPolarHBondContact O-CB 3.3Å; C86-Y114 WeakPolarHBondContact O-CB 3.43Å; C86-Y114 PolarHBondContact O-N 3.24Å
87Q86Confident89.6Confident79 Ų7959 Ų5937%0.36928%0.28SS..SBendtrans-76.9-38.1177.5-160.6161.848.900113.4R34 E38 A113 R115R34-Q87 HydrophobicContact CG-CB 4.43Å; E38-Q87 PolarHBondContact OE1-OE1 3.15Å; Q87-A113 WeakPolarHBondContact O-CB 3.42Å; Q87-R115 WeakPolarHBondContact O-CB 3.45Å; Q87-R115 PolarHBondContact O-N 3.14Å
88M84.4Confident89.8Confident135 Ų13556 Ų5667%0.66526%0.264SS*.SBendtrans-13717.6-170.4-56.9168.370.300113.6K90M88-K90 PolarHBondContact O-N 3.11Å
89G79.7Confident90Very high9 Ų948.1 Ų48.19%0.09323%0.227CC..SBendtrans88.9-32.6176.100000116.5C86 R91 G92 L93C86-G89 VanDerWaalsContact SG-CA 3.57Å; C86-G89 PolarHBondContact SG-N 3.42Å; G89-R91 PolarHBondContact O-N 3.25Å; G89-G92 PolarHBondContact O-N 3.45Å; G89-L93 PolarHBondContact O-N 2.78Å
90K86.4Confident90.2Very high182 Ų18250.4 Ų50.479%0.79123%0.233SC*.Hα-helixtrans-57.3-55.9-174.8-68.2-174179.3-178.90114.1M88 G92 L93 Q94M88-K90 PolarHBondContact O-N 3.11Å; K90-G92 VanDerWaalsContact C-N 3.28Å; K90-G92 PolarHBondContact O-N 3.05Å; K90-L93 PolarHBondContact O-N 3.49Å; K90-Q94 PolarHBondContact O-N 3.34Å
91R89.7Confident90.5Very high76 Ų7649 Ų4929%0.28724%0.236SC..Hα-helixtrans-63.8-32.6178.3-64.2174.6-84.2171.9-0.9112.3V33 E38 V52 C86 G89 Q94 A95V33-R91 HydrophobicContact CG2-CB 3.95Å; E38-R91 IonicContact OE1-CZ 3.62Å; E38-R91 IonicContact OE1-NH1 2.75Å; E38-R91 IonicContact OE1-NH2 3.39Å; E38-R91 PolarHBondContact OE1-NH2 3.3Å; E38-R91 IonicContact OE2-CZ 3.23Å; E38-R91 IonicContact OE2-NH1 2.83Å; E38-R91 PolarHBondContact OE2-NH1 3.21Å; E38-R91 IonicContact OE2-NH2 3.37Å; E38-R91 PolarHBondContact OE2-NH2 3.38Å; V52-R91 HydrophobicContact CG1-CG 4.43Å; C86-R91 HydrophobicContact CB-CB 3.63Å; C86-R91 PolarHBondContact SG-N 3.31Å; C86-R91 VanDerWaalsContact SG-N 3.4Å; G89-R91 PolarHBondContact O-N 3.25Å; R91-Q94 PolarHBondContact O-N 2.92Å; R91-A95 WeakPolarHBondContact O-CB 3.12Å; R91-A95 PolarHBondContact O-N 3.49Å
92G89.2Confident90.5Very high0 Ų049.8 Ų49.80%024%0.241CC..Hα-helixtrans-65.5-39.4177.400000112.4C86 G89 K90 A95 M96 N109C86-G92 PolarHBondContact SG-N 3.49Å; C86-G92 VanDerWaalsContact SG-N 3.45Å; G89-G92 PolarHBondContact O-N 3.45Å; K90-G92 VanDerWaalsContact C-N 3.28Å; K90-G92 PolarHBondContact O-N 3.05Å; G92-A95 PolarHBondContact O-N 3.33Å; G92-M96 WeakPolarHBondContact O-CB 3.46Å; G92-M96 PolarHBondContact O-N 3.45Å; G92-N109 WeakPolarHBondContact CA-OD1 3.49Å
93L89.7Confident90.4Very high72 Ų7251.4 Ų51.438%0.37726%0.257SS..Hα-helixtrans-63-46.4174.2-174.273000111.7G89 K90 A95 M96 Q97 N109G89-L93 PolarHBondContact O-N 2.78Å; K90-L93 PolarHBondContact O-N 3.49Å; L93-A95 VanDerWaalsContact C-N 3.35Å; L93-A95 PolarHBondContact O-N 3.27Å; L93-M96 HydrophobicContact CD1-CE 3.52Å; L93-M96 PolarHBondContact O-N 3.07Å; L93-Q97 WeakPolarHBondContact O-CG 3.4Å; L93-Q97 PolarHBondContact O-N 3.25Å; L93-N109 PolarHBondContact N-OD1 3.39Å
94Q91.8Very high90.3Very high111 Ų11151.8 Ų51.852%0.51926%0.259SS..Hα-helixtrans-60.3-45.2177.3-178.9-179.2-34.300111.3V52 K90 R91 Q97 L98V52-Q94 HydrophobicContact CG2-CG 4.26Å; K90-Q94 PolarHBondContact O-N 3.34Å; R91-Q94 PolarHBondContact O-N 2.92Å; Q94-Q97 PolarHBondContact O-N 3.34Å; Q94-L98 WeakPolarHBondContact O-CB 3.5Å; Q94-L98 PolarHBondContact O-N 3.22Å
95A92.5Very high90.1Very high0 Ų057 Ų570%029%0.291CS..Hα-helixtrans-60.7-44.4176.700000113V33 V52 L55 F84 R91 G92 L93 L98 A99V33-A95 HydrophobicContact CB-CB 4.14Å; V33-A95 HydrophobicContact CG1-CB 3.61Å; V33-A95 HydrophobicContact CG2-CB 3.95Å; V52-A95 HydrophobicContact CG2-CB 4.38Å; L55-A95 HydrophobicContact CD2-CB 3.32Å; F84-A95 HydrophobicContact CB-CB 4.11Å; F84-A95 HydrophobicContact CD1-CB 3.97Å; F84-A95 HydrophobicContact CG-CB 4.17Å; R91-A95 WeakPolarHBondContact O-CB 3.12Å; R91-A95 PolarHBondContact O-N 3.49Å; G92-A95 PolarHBondContact O-N 3.33Å; L93-A95 VanDerWaalsContact C-N 3.35Å; L93-A95 PolarHBondContact O-N 3.27Å; A95-L98 PolarHBondContact O-N 3.37Å; A95-A99 WeakPolarHBondContact O-CB 3.34Å; A95-A99 PolarHBondContact O-N 3.32Å
96M93.7Very high89.9Confident8 Ų857.4 Ų57.44%0.03930%0.295CS..Hα-helixtrans-60.8-45.5175.3175.2-82.4-65.300111.5P12 F84 G92 L93 A99 R100 A107 N109P12-M96 HydrophobicContact CB-CE 3.94Å; P12-M96 HydrophobicContact CB-SD 4.31Å; F84-M96 HydrophobicContact CD2-CB 4.2Å; G92-M96 WeakPolarHBondContact O-CB 3.46Å; G92-M96 PolarHBondContact O-N 3.45Å; L93-M96 HydrophobicContact CD1-CE 3.52Å; L93-M96 PolarHBondContact O-N 3.07Å; M96-A99 PolarHBondContact O-N 3.33Å; M96-R100 WeakPolarHBondContact O-CG 3.39Å; M96-R100 PolarHBondContact O-N 3.42Å; M96-R100 VanDerWaalsContact SD-CD 3.59Å; M96-R100 HydrophobicContact SD-CG 4.11Å; M96-A107 HydrophobicContact CG-CB 4.22Å; M96-N109 HydrophobicContact CB-CB 4.05Å; M96-N109 HydrophobicContact CE-CB 4.31Å; M96-N109 HydrophobicContact CG-CB 4.28Å
97Q92.4Very high90Very high115 Ų11557.3 Ų57.354%0.53730%0.295SS..Hα-helixtrans-62.3-44.6178.2-74.6177.1-24.300111.8L93 Q94 R100 S101L93-Q97 WeakPolarHBondContact O-CG 3.4Å; L93-Q97 PolarHBondContact O-N 3.25Å; Q94-Q97 PolarHBondContact O-N 3.34Å; Q97-R100 PolarHBondContact O-N 3.33Å; Q97-S101 WeakPolarHBondContact O-CB 3.36Å; Q97-S101 PolarHBondContact O-N 2.82Å
98L92.6Very high90.4Very high31 Ų3154.1 Ų54.116%0.16228%0.279CS..Hα-helixtrans-59.7-49.5175.2177.563.8000111.2L55 E56 Q94 A95 R100 S101 L102L55-L98 HydrophobicContact CB-CD2 4.22Å; L55-L98 HydrophobicContact CD2-CD2 4.15Å; L55-L98 HydrophobicContact CG-CD2 4.17Å; E56-L98 HydrophobicContact CB-CD1 4.26Å; E56-L98 HydrophobicContact CB-CD2 3.82Å; E56-L98 HydrophobicContact CG-CD1 4.16Å; Q94-L98 WeakPolarHBondContact O-CB 3.5Å; Q94-L98 PolarHBondContact O-N 3.22Å; A95-L98 PolarHBondContact O-N 3.37Å; L98-R100 VanDerWaalsContact C-N 3.34Å; L98-R100 PolarHBondContact O-N 3.45Å; L98-S101 WeakPolarHBondContact O-CB 3.37Å; L98-S101 PolarHBondContact O-N 2.95Å; L98-S101 VanDerWaalsContact O-N 3.1Å; L98-S101 PolarHBondContact O-OG 2.71Å; L98-L102 HydrophobicContact CD1-CD1 4.41Å; L98-L102 HydrophobicContact CG-CD1 4.41Å; L98-L102 WeakPolarHBondContact O-CG 3.42Å; L98-L102 PolarHBondContact O-N 3.08Å; L98-L102 VanDerWaalsContact O-N 3.14Å
99A92.4Very high90.8Very high0 Ų048 Ų480%025%0.249CC..Hα-helixtrans-58.4-45177.200000111.6L59 F84 A95 M96 S101 L102 G103 Y104 A107L59-A99 HydrophobicContact CD1-CB 3.77Å; F84-A99 HydrophobicContact CE2-CB 3.78Å; F84-A99 HydrophobicContact CZ-CB 3.68Å; A95-A99 WeakPolarHBondContact O-CB 3.34Å; A95-A99 PolarHBondContact O-N 3.32Å; M96-A99 PolarHBondContact O-N 3.33Å; A99-S101 VanDerWaalsContact C-N 3.32Å; A99-S101 PolarHBondContact O-N 3.02Å; A99-L102 PolarHBondContact O-N 2.6Å; A99-L102 VanDerWaalsContact O-N 3.14Å; A99-G103 PolarHBondContact O-N 3Å; A99-Y104 WeakPolarHBondContact O-CB 3.45Å; A99-Y104 VanDerWaalsContact O-CD2 3.3Å; A99-Y104 WeakPolarHBondContact O-CD2 3.35Å; A99-Y104 PolarHBondContact O-N 3.43Å; A99-A107 HydrophobicContact CB-CB 3.79Å
100R91.7Very high91.4Very high88 Ų8847.6 Ų47.633%0.33225%0.245SC..Hα-helixtrans-60.8-39.9174.7-72.1-169.2173.7-160.6-6.8112.9M96 Q97 L98 L102 G103 A107M96-R100 WeakPolarHBondContact O-CG 3.39Å; M96-R100 PolarHBondContact O-N 3.42Å; M96-R100 VanDerWaalsContact SD-CD 3.59Å; M96-R100 HydrophobicContact SD-CG 4.11Å; Q97-R100 PolarHBondContact O-N 3.33Å; L98-R100 VanDerWaalsContact C-N 3.34Å; L98-R100 PolarHBondContact O-N 3.45Å; R100-L102 PolarHBondContact O-N 3.02Å; R100-G103 PolarHBondContact O-N 2.96Å; R100-A107 HydrophobicContact CG-CB 3.82Å; R100-A107 PolarHBondContact NE-O 2.83Å; R100-A107 PolarHBondContact NH2-O 3.33Å
101S92.1Very high91.3Very high90 Ų9041.4 Ų41.463%0.62923%0.228SC*.Hα-helixtrans-62.3-28.1177.778.90000112.8Q97 L98 A99 G103Q97-S101 WeakPolarHBondContact O-CB 3.36Å; Q97-S101 PolarHBondContact O-N 2.82Å; L98-S101 WeakPolarHBondContact O-CB 3.37Å; L98-S101 PolarHBondContact O-N 2.95Å; L98-S101 VanDerWaalsContact O-N 3.1Å; L98-S101 PolarHBondContact O-OG 2.71Å; A99-S101 VanDerWaalsContact C-N 3.32Å; A99-S101 PolarHBondContact O-N 3.02Å; S101-G103 VanDerWaalsContact C-N 3.3Å
102L91.1Very high91Very high49 Ų4938.8 Ų38.826%0.25723%0.225SC..THydrogen-bonded Turntrans-87.24.4175.5-60.5173.6000113.3L59 Q60 L98 A99 R100 Y104L59-L102 HydrophobicContact CB-CD1 3.55Å; L59-L102 HydrophobicContact CD1-CD1 3.86Å; L59-L102 HydrophobicContact CG-CD1 4.37Å; Q60-L102 HydrophobicContact CG-CD1 4.3Å; Q60-L102 HydrophobicContact CG-CD2 4.07Å; L98-L102 HydrophobicContact CD1-CD1 4.41Å; L98-L102 HydrophobicContact CG-CD1 4.41Å; L98-L102 WeakPolarHBondContact O-CG 3.42Å; L98-L102 PolarHBondContact O-N 3.08Å; L98-L102 VanDerWaalsContact O-N 3.14Å; A99-L102 PolarHBondContact O-N 2.6Å; A99-L102 VanDerWaalsContact O-N 3.14Å; R100-L102 PolarHBondContact O-N 3.02Å; L102-Y104 HydrophobicContact CB-CD2 3.98Å; L102-Y104 HydrophobicContact CB-CE2 4.06Å
103G91.1Very high91Very high33 Ų3338.8 Ų38.834%0.3423%0.225SC..THydrogen-bonded Turntrans97.60.9176.600000115.5A99 R100 S101 T105A99-G103 PolarHBondContact O-N 3Å; R100-G103 PolarHBondContact O-N 2.96Å; S101-G103 VanDerWaalsContact C-N 3.3Å; G103-T105 VanDerWaalsContact C-N 3.33Å; G103-T105 PolarHBondContact O-N 2.87Å
104Y91.6Very high91Very high8 Ų836.6 Ų36.63%0.03121%0.212CC..  trans-76.883.5176.2-63.1-94.9000110.3L59 K74 P75 L77 L82 A99 L102 G106 A107L59-Y104 HydrophobicContact CB-CE2 3.87Å; L59-Y104 HydrophobicContact CD1-CD2 4.28Å; L59-Y104 HydrophobicContact CD1-CE2 4.15Å; L59-Y104 HydrophobicContact CD2-CD2 4.48Å; L59-Y104 HydrophobicContact CD2-CE1 4.21Å; L59-Y104 HydrophobicContact CD2-CE2 3.89Å; L59-Y104 HydrophobicContact CG-CE2 4.18Å; L59-Y104 PolarHBondContact O-OH 2.89Å; K74-Y104 VanDerWaalsContact CE-OH 3.27Å; K74-Y104 WeakPolarHBondContact CE-OH 3.39Å; P75-Y104 HydrophobicContact CB-CD1 4.33Å; P75-Y104 HydrophobicContact CB-CE1 3.93Å; P75-Y104 HydrophobicContact CG-CD1 4.5Å; P75-Y104 HydrophobicContact CG-CE1 3.86Å; P75-Y104 WeakPolarHBondContact O-CE1 3.38Å; L77-Y104 HydrophobicContact CD2-CD1 4Å; L77-Y104 HydrophobicContact CD2-CD2 3.73Å; L77-Y104 HydrophobicContact CD2-CE1 3.94Å; L77-Y104 HydrophobicContact CD2-CE2 3.65Å; L77-Y104 HydrophobicContact CD2-CG 3.92Å; L82-Y104 HydrophobicContact CD1-CD1 3.64Å; L82-Y104 HydrophobicContact CD1-CG 4.24Å; A99-Y104 WeakPolarHBondContact O-CB 3.45Å; A99-Y104 VanDerWaalsContact O-CD2 3.3Å; A99-Y104 WeakPolarHBondContact O-CD2 3.35Å; A99-Y104 PolarHBondContact O-N 3.43Å; L102-Y104 HydrophobicContact CB-CD2 3.98Å; L102-Y104 HydrophobicContact CB-CE2 4.06Å; Y104-G106 VanDerWaalsContact C-N 3.26Å; Y104-G106 PolarHBondContact O-N 2.98Å; Y104-A107 VanDerWaalsContact O-CB 3.23Å; Y104-A107 WeakPolarHBondContact O-CB 3.18Å; Y104-A107 PolarHBondContact O-N 3.02Å
105T89.3Confident90.8Very high109 Ų10939 Ų3967%0.66922%0.216SC*.THydrogen-bonded Turntrans-65.2-29.5-175.460.80000113G103 A107G103-T105 VanDerWaalsContact C-N 3.33Å; G103-T105 PolarHBondContact O-N 2.87Å; T105-A107 PolarHBondContact O-N 2.82Å
106G90.2Very high90.6Very high9 Ų941.5 Ų41.59%0.09323%0.228CC..THydrogen-bonded Turntrans-74.40.6176.200000115.3D79 H81 L82 Y104D79-G106 WeakPolarHBondContact O-CA 3.16Å; H81-G106 PolarHBondContact N-O 3.26Å; L82-G106 PolarHBondContact N-O 3.48Å; Y104-G106 VanDerWaalsContact C-N 3.26Å; Y104-G106 PolarHBondContact O-N 2.98Å
107A93.3Very high90.4Very high0 Ų042.5 Ų42.50%023%0.231CC..EExtended strand (participates in β ladder)trans-67.3129.2177.500000112.5L82 F84 M96 A99 R100 Y104 T105L82-A107 CarbonylContact O-C 3.58Å; L82-A107 WeakPolarHBondContact O-CA 3.49Å; F84-A107 HydrophobicContact CD2-CB 4.19Å; F84-A107 HydrophobicContact CE2-CB 3.62Å; M96-A107 HydrophobicContact CG-CB 4.22Å; A99-A107 HydrophobicContact CB-CB 3.79Å; R100-A107 HydrophobicContact CG-CB 3.82Å; R100-A107 PolarHBondContact NE-O 2.83Å; R100-A107 PolarHBondContact NH2-O 3.33Å; Y104-A107 VanDerWaalsContact O-CB 3.23Å; Y104-A107 WeakPolarHBondContact O-CB 3.18Å; Y104-A107 PolarHBondContact O-N 3.02Å; T105-A107 PolarHBondContact O-N 2.82Å
108R93.5Very high90.2Very high11 Ų1141 Ų414%0.04223%0.226CC..EExtended strand (participates in β ladder)trans-138.2151.7179.5-51.3-179.6-176-144.6-7.8110.1S9 P12 V14 E18 L82 I83 F84S9-R108 VanDerWaalsContact O-CZ 3.27Å; S9-R108 PolarHBondContact O-NH1 2.83Å; S9-R108 PolarHBondContact O-NH2 3.29Å; S9-R108 VanDerWaalsContact O-NH2 3.09Å; P12-R108 CarbonylContact O-C 3.56Å; P12-R108 WeakPolarHBondContact O-CA 3.45Å; V14-R108 HydrophobicContact CG2-CB 3.81Å; V14-R108 VanDerWaalsContact CG2-CD 3.48Å; V14-R108 HydrophobicContact CG2-CG 4.28Å; E18-R108 IonicContact OE1-NH1 3.57Å; L82-R108 PolarHBondContact O-N 3.41Å; I83-R108 CarbonylContact C-O 3.45Å; I83-R108 WeakPolarHBondContact CA-O 3.46Å; I83-R108 HydrophobicContact CD1-CB 3.83Å; I83-R108 HydrophobicContact CD1-CG 4.32Å; F84-R108 PolarHBondContact N-O 3.27Å
109N93.6Very high90Very high7 Ų746.3 Ų46.34%0.03725%0.25CS..EExtended strand (participates in β ladder)trans-104.1130.4179.5171.550.5000110.1P12 T13 V14 F84 G92 L93 M96 A111P12-N109 WeakPolarHBondContact O-CB 3.37Å; P12-N109 PolarHBondContact O-N 3.1Å; T13-N109 CarbonylContact C-O 3.6Å; T13-N109 WeakPolarHBondContact CA-O 3.36Å; V14-N109 PolarHBondContact N-O 3.24Å; F84-N109 CarbonylContact O-C 3.52Å; F84-N109 WeakPolarHBondContact O-CA 3.25Å; F84-N109 PolarHBondContact O-OD1 3.28Å; G92-N109 WeakPolarHBondContact CA-OD1 3.49Å; L93-N109 PolarHBondContact N-OD1 3.39Å; M96-N109 HydrophobicContact CB-CB 4.05Å; M96-N109 HydrophobicContact CE-CB 4.31Å; M96-N109 HydrophobicContact CG-CB 4.28Å; N109-A111 PolarHBondContact O-N 3.05Å
110Y92.4Very high89.6Confident0 Ų051.4 Ų51.40%027%0.272CS..EExtended strand (participates in β ladder)trans-87.6101.2167.6170.1-130.1000109.5V14 L16 L19 I44 F84 F85 G112 A113 E116V14-Y110 WeakPolarHBondContact O-CD2 3.48Å; L16-Y110 HydrophobicContact CB-CE2 4.02Å; L16-Y110 WeakPolarHBondContact CD1-OH 3.47Å; L19-Y110 HydrophobicContact CD2-CD1 3.98Å; L19-Y110 HydrophobicContact CD2-CD2 4.26Å; L19-Y110 HydrophobicContact CD2-CE1 4.15Å; L19-Y110 HydrophobicContact CD2-CE2 4.45Å; L19-Y110 HydrophobicContact CD2-CG 4.05Å; I44-Y110 HydrophobicContact CD1-CD1 4.48Å; I44-Y110 HydrophobicContact CD1-CE1 4.35Å; F84-Y110 PolarHBondContact O-N 3.16Å; F85-Y110 HydrophobicContact CB-CD1 3.89Å; F85-Y110 HydrophobicContact CB-CG 4.47Å; F85-Y110 HydrophobicContact CG-CD1 4.49Å; Y110-G112 VanDerWaalsContact C-N 3.33Å; Y110-G112 PolarHBondContact O-N 3.32Å; Y110-A113 VanDerWaalsContact CE1-N 3.35Å; Y110-A113 WeakPolarHBondContact CE1-O 3.49Å; Y110-A113 PolarHBondContact O-N 3.14Å; Y110-A113 VanDerWaalsContact O-N 3.15Å; Y110-E116 PolarHBondContact OH-OE2 3.04Å
111A83.9Confident88.8Confident52 Ų5251.1 Ų51.143%0.4328%0.275SS..THydrogen-bonded Turntrans-68.1-29.8-173.600000113.7T13 N109 A113T13-A111 HydrophobicContact CG2-CB 3.49Å; T13-A111 VanDerWaalsContact CG2-CB 3.49Å; N109-A111 PolarHBondContact O-N 3.05Å; A111-A113 PolarHBondContact O-N 3.47Å
112G83.3Confident87.1Confident22 Ų2252 Ų5223%0.22730%0.299CS..THydrogen-bonded Turntrans-61.8-26.7174.100000113Y110 E116Y110-G112 VanDerWaalsContact C-N 3.33Å; Y110-G112 PolarHBondContact O-N 3.32Å; G112-E116 VanDerWaalsContact CA-OE2 3.29Å; G112-E116 WeakPolarHBondContact CA-OE2 3.5Å; G112-E116 WeakPolarHBondContact O-CB 3.44Å; G112-E116 PolarHBondContact O-N 3.4Å; G112-E116 VanDerWaalsContact O-N 3.11Å
113A88.6Confident86.9Confident0 Ų052.2 Ų52.20%030%0.301CS..Hα-helixtrans57.1-175.8176.800000112.9C86 Q87 Y110 A111 R115 E116 W117C86-A113 WeakPolarHBondContact O-CB 3.3Å; Q87-A113 WeakPolarHBondContact O-CB 3.42Å; Y110-A113 VanDerWaalsContact CE1-N 3.35Å; Y110-A113 WeakPolarHBondContact CE1-O 3.49Å; Y110-A113 PolarHBondContact O-N 3.14Å; Y110-A113 VanDerWaalsContact O-N 3.15Å; A111-A113 PolarHBondContact O-N 3.47Å; A113-R115 PolarHBondContact O-N 2.74Å; A113-E116 PolarHBondContact O-N 3.35Å; A113-W117 PolarHBondContact O-N 3.49Å
114Y89.4Confident86.7Confident26 Ų2653.2 Ų53.210%0.10230%0.299CS..Hα-helixtrans-61.8-28.1-178.4-173.6-122.2000112.6G42 T43 I44 F85 C86 W117 L118G42-Y114 WeakPolarHBondContact O-CE1 3.46Å; G42-Y114 VanDerWaalsContact O-CZ 3.24Å; G42-Y114 PolarHBondContact O-OH 3.23Å; G42-Y114 VanDerWaalsContact O-OH 3.14Å; T43-Y114 PolarHBondContact N-OH 3.02Å; I44-Y114 HydrophobicContact CG1-CD2 3.83Å; I44-Y114 HydrophobicContact CG1-CE2 4.28Å; F85-Y114 HydrophobicContact CE2-CD2 4.43Å; C86-Y114 WeakPolarHBondContact O-CB 3.43Å; C86-Y114 PolarHBondContact O-N 3.24Å; Y114-W117 HydrophobicContact CD2-CB 4.46Å; Y114-W117 WeakPolarHBondContact O-CB 3.22Å; Y114-W117 PolarHBondContact O-N 2.87Å; Y114-L118 HydrophobicContact CD1-CD1 3.83Å; Y114-L118 HydrophobicContact CD1-CG 4.22Å; Y114-L118 HydrophobicContact CE1-CD1 3.45Å; Y114-L118 VanDerWaalsContact CE1-CD1 3.45Å; Y114-L118 HydrophobicContact CE1-CD2 4.2Å; Y114-L118 HydrophobicContact CE1-CG 3.83Å; Y114-L118 HydrophobicContact CE2-CD2 4.26Å; Y114-L118 HydrophobicContact CE2-CG 4.14Å; Y114-L118 WeakPolarHBondContact O-CG 3.47Å; Y114-L118 PolarHBondContact O-N 3.03Å
115R88.5Confident86.4Confident160 Ų16055.7 Ų55.760%0.60431%0.314SS*.Hα-helixtrans-64.2-47.7176.7-177.5178.6162.4177.4-4.7113.1Q87 A113 W117 L118 E119Q87-R115 WeakPolarHBondContact O-CB 3.45Å; Q87-R115 PolarHBondContact O-N 3.14Å; A113-R115 PolarHBondContact O-N 2.74Å; R115-W117 VanDerWaalsContact C-N 3.25Å; R115-W117 PolarHBondContact O-N 3.35Å; R115-L118 PolarHBondContact O-N 3.31Å; R115-E119 PolarHBondContact O-N 3.35Å
116E89.1Confident86.2Confident53 Ų5352.6 Ų52.625%0.24829%0.293CS..Hα-helixtrans-65.3-34.9175.7-179176-132.900110.9L16 Y110 G112 A113 E119 K120L16-E116 HydrophobicContact CD2-CG 4.28Å; Y110-E116 PolarHBondContact OH-OE2 3.04Å; G112-E116 VanDerWaalsContact CA-OE2 3.29Å; G112-E116 WeakPolarHBondContact CA-OE2 3.5Å; G112-E116 WeakPolarHBondContact O-CB 3.44Å; G112-E116 PolarHBondContact O-N 3.4Å; G112-E116 VanDerWaalsContact O-N 3.11Å; A113-E116 PolarHBondContact O-N 3.35Å; E116-E119 PolarHBondContact O-N 3.13Å; E116-K120 HydrophobicContact CG-CD 3.97Å; E116-K120 HydrophobicContact CG-CG 4.4Å; E116-K120 WeakPolarHBondContact O-CB 3.39Å; E116-K120 PolarHBondContact O-N 3.05Å; E116-K120 VanDerWaalsContact O-N 3.07Å; E116-K120 IonicContact OE1-NZ 3.78Å; E116-K120 PolarHBondContact OE1-NZ 3Å
117W88.7Confident86Confident29 Ų2955.3 Ų55.311%0.1131%0.305CS..Hα-helixtrans-58.9-50.8174.2-177.8-85.3000111.3L16 L19 L23 I44 A113 Y114 R115 E119 K120 E121 G122L16-W117 HydrophobicContact CD1-CE3 3.64Å; L16-W117 HydrophobicContact CD1-CZ3 3.92Å; L19-W117 HydrophobicContact CD2-CE3 4.46Å; L19-W117 HydrophobicContact CD2-CZ3 4.39Å; L23-W117 HydrophobicContact CD1-CH2 4.22Å; L23-W117 HydrophobicContact CD1-CZ3 4.25Å; I44-W117 HydrophobicContact CB-CD2 4.48Å; I44-W117 HydrophobicContact CD1-CB 4.12Å; I44-W117 HydrophobicContact CD1-CD2 3.96Å; I44-W117 HydrophobicContact CD1-CE3 4.04Å; I44-W117 HydrophobicContact CD1-CG 3.97Å; I44-W117 HydrophobicContact CG1-CB 4.28Å; I44-W117 HydrophobicContact CG1-CD2 3.89Å; I44-W117 HydrophobicContact CG1-CE3 4.41Å; I44-W117 HydrophobicContact CG1-CG 3.77Å; I44-W117 HydrophobicContact CG2-CD2 3.96Å; I44-W117 HydrophobicContact CG2-CE3 4.1Å; I44-W117 HydrophobicContact CG2-CH2 3.93Å; I44-W117 HydrophobicContact CG2-CZ2 3.78Å; I44-W117 HydrophobicContact CG2-CZ3 4.08Å; A113-W117 PolarHBondContact O-N 3.49Å; Y114-W117 HydrophobicContact CD2-CB 4.46Å; Y114-W117 WeakPolarHBondContact O-CB 3.22Å; Y114-W117 PolarHBondContact O-N 2.87Å; R115-W117 VanDerWaalsContact C-N 3.25Å; R115-W117 PolarHBondContact O-N 3.35Å; W117-E119 VanDerWaalsContact C-N 3.31Å; W117-E119 PolarHBondContact O-N 3.45Å; W117-K120 PolarHBondContact O-N 2.78Å; W117-E121 HydrophobicContact CD2-CB 4.06Å; W117-E121 HydrophobicContact CD2-CG 4.2Å; W117-E121 HydrophobicContact CE3-CG 4.21Å; W117-E121 HydrophobicContact CG-CB 4.42Å; W117-E121 HydrophobicContact CH2-CG 4.18Å; W117-E121 HydrophobicContact CZ2-CB 3.98Å; W117-E121 HydrophobicContact CZ2-CG 4.16Å; W117-E121 HydrophobicContact CZ3-CG 4.21Å; W117-E121 WeakPolarHBondContact O-CA 3.35Å; W117-E121 WeakPolarHBondContact O-CB 3.3Å; W117-E121 PolarHBondContact O-N 2.75Å; W117-G122 PolarHBondContact O-N 3.46Å
118L87.5Confident85.5Confident83 Ų8359 Ų5944%0.43533%0.326SS..Hα-helixtrans-60.6-38.2177.1-75.9175.6000113.1Y114 R115 K120 G122Y114-L118 HydrophobicContact CD1-CD1 3.83Å; Y114-L118 HydrophobicContact CD1-CG 4.22Å; Y114-L118 HydrophobicContact CE1-CD1 3.45Å; Y114-L118 VanDerWaalsContact CE1-CD1 3.45Å; Y114-L118 HydrophobicContact CE1-CD2 4.2Å; Y114-L118 HydrophobicContact CE1-CG 3.83Å; Y114-L118 HydrophobicContact CE2-CD2 4.26Å; Y114-L118 HydrophobicContact CE2-CG 4.14Å; Y114-L118 WeakPolarHBondContact O-CG 3.47Å; Y114-L118 PolarHBondContact O-N 3.03Å; R115-L118 PolarHBondContact O-N 3.31Å; L118-K120 VanDerWaalsContact C-N 3.33Å; L118-K120 PolarHBondContact O-N 3.23Å; L118-G122 VanDerWaalsContact O-CA 3.3Å; L118-G122 WeakPolarHBondContact O-CA 3.46Å; L118-G122 PolarHBondContact O-N 3.19Å; L118-G122 VanDerWaalsContact O-N 3.16Å
119E88.1Confident84.9Confident143 Ų14362.4 Ų62.467%0.66835%0.346SS*.Hα-helixtrans-69.5-30.8-179.6-171.5178.689.800112.9R115 E116 W117R115-E119 PolarHBondContact O-N 3.35Å; E116-E119 PolarHBondContact O-N 3.13Å; W117-E119 VanDerWaalsContact C-N 3.31Å; W117-E119 PolarHBondContact O-N 3.45Å
120K85.7Confident84.3Confident108 Ų10866.7 Ų66.747%0.4737%0.37SS..Hα-helixtrans-111.4-18.5-171.3-66.6-170.7175.8165.70115.3L16 R20 E116 W117 L118L16-K120 HydrophobicContact CD2-CB 3.63Å; L16-K120 HydrophobicContact CD2-CD 3.48Å; L16-K120 VanDerWaalsContact CD2-CD 3.48Å; L16-K120 HydrophobicContact CD2-CG 4.13Å; R20-K120 PolarHBondContact NH2-O 3.24Å; E116-K120 HydrophobicContact CG-CD 3.97Å; E116-K120 HydrophobicContact CG-CG 4.4Å; E116-K120 WeakPolarHBondContact O-CB 3.39Å; E116-K120 PolarHBondContact O-N 3.05Å; E116-K120 VanDerWaalsContact O-N 3.07Å; E116-K120 IonicContact OE1-NZ 3.78Å; E116-K120 PolarHBondContact OE1-NZ 3Å; W117-K120 PolarHBondContact O-N 2.78Å; L118-K120 VanDerWaalsContact C-N 3.33Å; L118-K120 PolarHBondContact O-N 3.23Å
121E74.3Confident83.6Confident81 Ų8172.3 Ų72.338%0.37940%0.4SS..Hα-helixtrans-133.8-6.8-176.9-64.1-74.38600113.2R20 W117R20-E121 IonicContact CZ-OE1 2.71Å; R20-E121 IonicContact CZ-OE2 3.23Å; R20-E121 VanDerWaalsContact CZ-OE2 3.23Å; R20-E121 IonicContact NE-OE1 3.02Å; R20-E121 IonicContact NE-OE2 2.76Å; R20-E121 PolarHBondContact NE-OE2 3.14Å; R20-E121 VanDerWaalsContact NH1-CD 3.3Å; R20-E121 IonicContact NH1-OE1 3.99Å; R20-E121 PolarHBondContact NH1-OE1 3.38Å; R20-E121 IonicContact NH1-OE2 2.66Å; R20-E121 PolarHBondContact NH1-OE2 2.95Å; R20-E121 VanDerWaalsContact NH2-CG 3.26Å; R20-E121 IonicContact NH2-OE1 3.08Å; R20-E121 PolarHBondContact NH2-OE1 3.3Å; R20-E121 IonicContact NH2-OE2 2.85Å; W117-E121 HydrophobicContact CD2-CB 4.06Å; W117-E121 HydrophobicContact CD2-CG 4.2Å; W117-E121 HydrophobicContact CE3-CG 4.21Å; W117-E121 HydrophobicContact CG-CB 4.42Å; W117-E121 HydrophobicContact CH2-CG 4.18Å; W117-E121 HydrophobicContact CZ2-CB 3.98Å; W117-E121 HydrophobicContact CZ2-CG 4.16Å; W117-E121 HydrophobicContact CZ3-CG 4.21Å; W117-E121 WeakPolarHBondContact O-CA 3.35Å; W117-E121 WeakPolarHBondContact O-CB 3.3Å; W117-E121 PolarHBondContact O-N 2.75Å
122G55.9Low83.5Confident110 Ų11074.1 Ų74.1100%1.13440%0.398SS*.  trans-83.30-178.300000114.3W117 L118W117-G122 PolarHBondContact O-N 3.46Å; L118-G122 VanDerWaalsContact O-CA 3.3Å; L118-G122 WeakPolarHBondContact O-CA 3.46Å; L118-G122 PolarHBondContact O-N 3.19Å; L118-G122 VanDerWaalsContact O-N 3.16Å

Retrieved 122 of 122 residues in 28.1 ms (Link to these results)

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