G4LWK0_SCHMA Loading...

Large ribosomal subunit protein eL31

AlphaFold DB , UniProt , Accession G4LWK0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, 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
1M44.5Very low57.1Low242 Ų242162.9 Ų162.9100%1.19287%0.867SS**  0100.50-155.6172-173.600107.6Q3M1-Q3 PolarHBondContact O-N 3.4Å
2V59.3Low57.3Low149 Ų149154.9 Ų154.990%0.90384%0.841SS**  trans-84.7112.2-172.9-176.70000108.9S4V2-S4 PolarHBondContact O-N 3.38Å
3Q56.6Low57.9Low186 Ų186151.9 Ų151.987%0.86981%0.81SS**  trans-66.9113.7177.9-68.7178.7-16.300110M1 G5M1-Q3 PolarHBondContact O-N 3.4Å; Q3-G5 PolarHBondContact O-N 3.47Å; Q3-G5 VanDerWaalsContact O-N 3.12Å
4S54.1Low58.3Low115 Ų115153.3 Ų153.380%0.80481%0.805SS**  trans-66.5106.4169.254.50000109.4V2 T6V2-S4 PolarHBondContact O-N 3.38Å; S4-T6 PolarHBondContact O-N 3.47Å
5G57.7Low59.9Low70 Ų70145.3 Ų145.372%0.72277%0.774SS**  trans-58.1120.117700000112.1Q3 K7Q3-G5 PolarHBondContact O-N 3.47Å; Q3-G5 VanDerWaalsContact O-N 3.12Å; G5-K7 PolarHBondContact O-N 3.26Å; G5-K7 VanDerWaalsContact O-N 3.15Å
6T60.2Low61.8Low140 Ų140141.7 Ų141.786%0.85976%0.759SS**  trans-57.9111.9169.538.40000110S4 A8S4-T6 PolarHBondContact O-N 3.47Å; T6-A8 PolarHBondContact O-N 2.87Å; T6-A8 VanDerWaalsContact O-N 3.1Å
7K60.6Low63.5Low205 Ų205134.8 Ų134.889%0.89173%0.726SS**  trans-63.7111.5173.4-73.3178.4-179.6171.20109.2G5 R9G5-K7 PolarHBondContact O-N 3.26Å; G5-K7 VanDerWaalsContact O-N 3.15Å; K7-R9 PolarHBondContact O-N 2.84Å
8A58.8Low65.2Low95 Ų95128 Ų12879%0.78569%0.69SS**  trans-50.2127.7173.800000110.7T6 R10T6-A8 PolarHBondContact O-N 2.87Å; T6-A8 VanDerWaalsContact O-N 3.1Å; A8-R10 PolarHBondContact O-N 3.37Å
9R59.3Low66.7Low244 Ų244125.4 Ų125.492%0.92167%0.67SS**  trans-60.2107.4177.8-167.3173.494.9178.45.8108.1K7 T11K7-R9 PolarHBondContact O-N 2.84Å; R9-T11 PolarHBondContact O-N 3.31Å
10R58.2Low68.2Low226 Ų226120.2 Ų120.285%0.85364%0.641SS**PPolyproline II helixtrans-46.6121.4178.1-71.5177.776.7156.37.4108.5A8 A12A8-R10 PolarHBondContact O-N 3.37Å; R10-A12 PolarHBondContact O-N 3.1Å
11T58.5Low69.5Low120 Ų120114.8 Ų114.874%0.73661%0.612SS**PPolyproline II helixtrans-51.8135.9176.145.30000108.9R9 R13R9-T11 PolarHBondContact O-N 3.31Å; T11-R13 PolarHBondContact O-N 3.04Å
12A59.5Low72Confident67 Ų67105.2 Ų105.255%0.55457%0.567SS**PPolyproline II helixtrans-49.3136.8176.200000109.1R10 K14R10-A12 PolarHBondContact O-N 3.1Å; A12-K14 HydrophobicContact CB-CG 4.18Å; A12-K14 WeakPolarHBondContact O-CB 2.93Å; A12-K14 WeakPolarHBondContact O-CG 3.4Å; A12-K14 PolarHBondContact O-N 2.88Å
13R65Low73.7Confident116 Ų11698.2 Ų98.244%0.43852%0.524SS..  trans-62.1100.3176.1-74.8175.3160.2163.8-8.5107.4T11 K51 M52 R86T11-R13 PolarHBondContact O-N 3.04Å; R13-K51 PolarHBondContact NH1-O 3.41Å; R13-K51 VanDerWaalsContact NH1-O 3.11Å; R13-M52 VanDerWaalsContact NH1-C 3.29Å; R13-M52 PolarHBondContact NH1-O 3.12Å; R13-M52 PolarHBondContact NH2-O 2.7Å; R13-M52 VanDerWaalsContact NH2-O 3.1Å; R13-R86 VanDerWaalsContact CB-NH1 3.3Å; R13-R86 VanDerWaalsContact O-CZ 3.25Å; R13-R86 PolarHBondContact O-NH1 2.82Å; R13-R86 PolarHBondContact O-NH2 2.99Å
14K64.6Low75.6Confident171 Ų17192.7 Ų92.774%0.74350%0.498SS*.  trans-98-3.1-155.8-95.1172.8-172.5-163.90118.6A12A12-K14 HydrophobicContact CB-CG 4.18Å; A12-K14 WeakPolarHBondContact O-CB 2.93Å; A12-K14 WeakPolarHBondContact O-CG 3.4Å; A12-K14 PolarHBondContact O-N 2.88Å
15G82.1Confident77.6Confident33 Ų3387.2 Ų87.234%0.3446%0.46SS..SBendtrans-134.7173.8-175.300000117.7A17 R86G15-A17 PolarHBondContact O-N 2.82Å; G15-R86 VanDerWaalsContact N-NH2 3.1Å; G15-R86 PolarHBondContact O-NE 3.41Å; G15-R86 PolarHBondContact O-NH2 2.83Å
16V89.1Confident79.4Confident88 Ų8886.9 Ų86.953%0.53344%0.439SS..  trans-56.2136162.4173.40000108.1R86V16-R86 WeakPolarHBondContact CA-O 3.45Å; V16-R86 WeakPolarHBondContact CG1-O 3.33Å
17A91.3Very high81.1Confident25 Ų2588.1 Ų88.121%0.20743%0.433CS..EExtended strand (participates in β ladder)trans-150.3131.9-178.800000109.8G15 R86G15-A17 PolarHBondContact O-N 2.82Å; A17-R86 PolarHBondContact N-O 2.83Å; A17-R86 PolarHBondContact O-N 3.06Å
18T94.5Very high82.8Confident12 Ų1282.6 Ų82.67%0.07441%0.407CS..EExtended strand (participates in β ladder)trans-121.7129.2175.9-600000109.7R83 L84 A85 V118 S120T18-R83 HydrophobicContact CG2-CG 3.52Å; T18-L84 CarbonylContact C-O 3.58Å; T18-L84 VanDerWaalsContact CA-O 3.31Å; T18-L84 WeakPolarHBondContact CA-O 3.44Å; T18-A85 HydrophobicContact CG2-CB 4.04Å; T18-A85 WeakPolarHBondContact OG1-CB 3.44Å; T18-V118 WeakPolarHBondContact CB-O 3.49Å; T18-V118 HydrophobicContact CG2-CB 4.1Å; T18-V118 HydrophobicContact CG2-CG1 4.42Å; T18-V118 PolarHBondContact O-N 3.06Å; T18-S120 VanDerWaalsContact CB-OG 3.3Å; T18-S120 WeakPolarHBondContact CB-OG 3.46Å; T18-S120 PolarHBondContact OG1-OG 3Å
19R94Very high84.5Confident79 Ų7978.2 Ų78.230%0.29837%0.37SS..EExtended strand (participates in β ladder)trans-144.1141.9-175.1-63.1-177.1-179175.8-3.2110.7Y21 M53 L84 I116 N117R19-Y21 HydrophobicContact CB-CD2 4.16Å; R19-Y21 HydrophobicContact CB-CE2 3.46Å; R19-Y21 VanDerWaalsContact CB-CE2 3.46Å; R19-Y21 WeakPolarHBondContact CD-OH 3.31Å; R19-Y21 HydrophobicContact CG-CE2 4.45Å; R19-M53 HydrophobicContact CB-CE 4.08Å; R19-M53 HydrophobicContact CG-CE 4.28Å; R19-L84 PolarHBondContact N-O 3.28Å; R19-L84 PolarHBondContact O-N 2.88Å; R19-I116 CarbonylContact C-O 3.58Å; R19-I116 VanDerWaalsContact CA-O 3.29Å; R19-I116 WeakPolarHBondContact CA-O 3.42Å; R19-N117 WeakPolarHBondContact CG-OD1 3.33Å; R19-N117 PolarHBondContact NE-OD1 3.06Å
20E95.4Very high86.2Confident21 Ų2173.5 Ų73.510%0.09836%0.358CS..EExtended strand (participates in β ladder)trans-98.7132.2172.3-71.7-174.8-176.400111.9R81 V82 R83 V105 I115 I116 V118E20-R81 VanDerWaalsContact CB-NH2 3.32Å; E20-R81 IonicContact OE2-CZ 2.74Å; E20-R81 IonicContact OE2-NE 3.36Å; E20-R81 PolarHBondContact OE2-NE 3.11Å; E20-R81 IonicContact OE2-NH2 3.11Å; E20-R81 PolarHBondContact OE2-NH2 3.12Å; E20-V82 CarbonylContact C-O 3.59Å; E20-V82 VanDerWaalsContact CA-O 3.31Å; E20-V82 WeakPolarHBondContact CA-O 3.38Å; E20-R83 HydrophobicContact CG-CB 3.97Å; E20-R83 HydrophobicContact CG-CG 4.11Å; E20-R83 IonicContact OE1-CZ 2.7Å; E20-R83 IonicContact OE1-NE 3.01Å; E20-R83 PolarHBondContact OE1-NE 3.41Å; E20-R83 VanDerWaalsContact OE1-NE 3.11Å; E20-R83 IonicContact OE1-NH2 3.06Å; E20-R83 PolarHBondContact OE1-NH2 3.26Å; E20-V105 HydrophobicContact CG-CG2 4.19Å; E20-I115 WeakPolarHBondContact O-CA 3.43Å; E20-I116 HydrophobicContact CB-CB 4.49Å; E20-I116 PolarHBondContact N-O 2.64Å; E20-I116 PolarHBondContact O-N 2.65Å; E20-V118 HydrophobicContact CB-CG2 4.44Å; E20-V118 HydrophobicContact CG-CG2 3.67Å
21Y96.2Very high88Confident7 Ų766.2 Ų66.23%0.02735%0.354CS..EExtended strand (participates in β ladder)trans-126.7147.6-179.8-69.1-81.9000110.1R19 F48 M52 M53 R81 V82 L84 I115R19-Y21 HydrophobicContact CB-CD2 4.16Å; R19-Y21 HydrophobicContact CB-CE2 3.46Å; R19-Y21 VanDerWaalsContact CB-CE2 3.46Å; R19-Y21 WeakPolarHBondContact CD-OH 3.31Å; R19-Y21 HydrophobicContact CG-CE2 4.45Å; Y21-F48 HydrophobicContact CD1-CE1 4.25Å; Y21-F48 AromaticContact CD1-CZ 4Å; Y21-F48 HydrophobicContact CD1-CZ 4Å; Y21-F48 HydrophobicContact CD2-CE1 4.33Å; Y21-F48 AromaticContact CG-CE1 3.87Å; Y21-F48 HydrophobicContact CG-CE1 3.87Å; Y21-F48 HydrophobicContact CG-CZ 4.07Å; Y21-M52 HydrophobicContact CD1-CE 4.08Å; Y21-M52 HydrophobicContact CE1-CE 3.26Å; Y21-M52 HydrophobicContact CE2-CB 4.42Å; Y21-M53 HydrophobicContact CE2-CE 4.34Å; Y21-R81 WeakPolarHBondContact O-CA 3.5Å; Y21-V82 PolarHBondContact N-O 3.5Å; Y21-V82 PolarHBondContact O-N 2.92Å; Y21-L84 HydrophobicContact CD2-CB 4.3Å; Y21-L84 HydrophobicContact CD2-CD1 3.55Å; Y21-L84 HydrophobicContact CD2-CG 3.92Å; Y21-L84 HydrophobicContact CE2-CB 4.43Å; Y21-L84 HydrophobicContact CE2-CD1 3.77Å; Y21-L84 HydrophobicContact CE2-CG 4.37Å; Y21-L84 HydrophobicContact CG-CD1 4.48Å; Y21-I115 HydrophobicContact CD1-CB 4.41Å; Y21-I115 HydrophobicContact CD1-CD1 4.04Å; Y21-I115 HydrophobicContact CD1-CG1 3.69Å; Y21-I115 HydrophobicContact CD1-CG2 3.93Å; Y21-I115 HydrophobicContact CE1-CB 4.2Å; Y21-I115 HydrophobicContact CE1-CD1 3.69Å; Y21-I115 HydrophobicContact CE1-CG1 3.7Å; Y21-I115 HydrophobicContact CE1-CG2 3.41Å; Y21-I115 VanDerWaalsContact CE1-CG2 3.41Å
22T96.5Very high89.7Confident40 Ų4062 Ų6225%0.24533%0.328CS..EExtended strand (participates in β ladder)trans-99.8115.1163.7-54.50000108.3R79 V80 R81 F110T22-R79 HydrophobicContact CG2-CB 4.19Å; T22-V80 CarbonylContact C-O 3.57Å; T22-V80 WeakPolarHBondContact CA-O 3.43Å; T22-R81 WeakPolarHBondContact OG1-CD 3.34Å; T22-R81 PolarHBondContact OG1-NH1 3.25Å; T22-F110 HydrophobicContact CG2-CD1 3.63Å; T22-F110 HydrophobicContact CG2-CE1 4.21Å; T22-F110 HydrophobicContact CG2-CG 4.46Å
23I96Very high91.5Very high2 Ų261.1 Ų61.11%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-91.6123.4176.1-58.2175.1000108.6L25 I45 F48 R79 V80 V82I23-L25 HydrophobicContact CB-CD2 4.5Å; I23-L25 HydrophobicContact CG2-CD2 3.64Å; I23-L25 HydrophobicContact CG2-CG 4.25Å; I23-L25 PolarHBondContact O-N 3.3Å; I23-I45 HydrophobicContact CD1-CB 4.45Å; I23-I45 HydrophobicContact CD1-CG1 4Å; I23-I45 HydrophobicContact CD1-CG2 4.23Å; I23-F48 HydrophobicContact CD1-CB 4.26Å; I23-F48 HydrophobicContact CD1-CD1 3.43Å; I23-F48 VanDerWaalsContact CD1-CD1 3.43Å; I23-F48 HydrophobicContact CD1-CE1 3.95Å; I23-F48 HydrophobicContact CD1-CG 3.94Å; I23-F48 HydrophobicContact CG1-CD1 3.63Å; I23-F48 HydrophobicContact CG1-CE1 3.66Å; I23-F48 HydrophobicContact CG1-CG 4.09Å; I23-F48 HydrophobicContact CG1-CZ 4.15Å; I23-R79 VanDerWaalsContact O-CA 3.28Å; I23-R79 WeakPolarHBondContact O-CA 3.46Å; I23-V80 PolarHBondContact N-O 3.38Å; I23-V80 PolarHBondContact O-N 3.33Å; I23-V82 HydrophobicContact CD1-CG1 4.2Å; I23-V82 HydrophobicContact CD1-CG2 3.58Å; I23-V82 HydrophobicContact CG1-CG2 3.86Å
24H95.8Very high92.9Very high70 Ų7060.3 Ų60.332%0.32433%0.325SS..EExtended strand (participates in β ladder)trans-82.195.6168.7-166.910.3000110.1R28 Y78H24-R28 WeakPolarHBondContact O-CG 3.17Å; H24-Y78 PolarHBondContact ND1-O 3.26Å
25L96.1Very high94.4Very high0 Ų061.1 Ų61.10%033%0.328CS..Hα-helixtrans-73.6-37.6-179.2-66.8-178000112.4I23 K27 R28 I29 A41 I45 V76 P77 Y78 V80I23-L25 HydrophobicContact CB-CD2 4.5Å; I23-L25 HydrophobicContact CG2-CD2 3.64Å; I23-L25 HydrophobicContact CG2-CG 4.25Å; I23-L25 PolarHBondContact O-N 3.3Å; L25-K27 VanDerWaalsContact C-N 3.3Å; L25-K27 PolarHBondContact O-N 2.87Å; L25-R28 WeakPolarHBondContact O-CA 3.23Å; L25-R28 WeakPolarHBondContact O-CB 3.41Å; L25-R28 PolarHBondContact O-N 2.86Å; L25-I29 WeakPolarHBondContact O-CG1 3.41Å; L25-I29 PolarHBondContact O-N 2.66Å; L25-A41 HydrophobicContact CD1-CB 4.29Å; L25-A41 HydrophobicContact CD2-CB 4.46Å; L25-I45 HydrophobicContact CD1-CD1 4.29Å; L25-I45 HydrophobicContact CD2-CD1 4.03Å; L25-I45 HydrophobicContact CD2-CG1 3.75Å; L25-V76 HydrophobicContact CD1-CG1 3.73Å; L25-P77 WeakPolarHBondContact CB-O 2.94Å; L25-Y78 PolarHBondContact N-O 3.02Å; L25-V80 HydrophobicContact CD1-CB 4.41Å; L25-V80 HydrophobicContact CD1-CG2 3.37Å; L25-V80 HydrophobicContact CG-CG2 4.1Å
26H95.6Very high95.1Very high63 Ų6368 Ų6829%0.29234%0.344SS..Hα-helixtrans-54.7-44.6-178.5-175.1-103.9000112.5R28 I29 H30 Y78H26-R28 PolarHBondContact O-N 2.85Å; H26-I29 PolarHBondContact O-N 2.62Å; H26-H30 PolarHBondContact O-N 2.91Å; H26-H30 VanDerWaalsContact O-N 3.11Å; H26-Y78 HydrophobicContact CB-CD1 4.07Å; H26-Y78 HydrophobicContact CB-CG 4Å; H26-Y78 AromaticContact CD2-CD1 3.77Å; H26-Y78 AromaticContact CD2-CE1 3.61Å; H26-Y78 AromaticContact CD2-CZ 3.93Å; H26-Y78 PolarHBondContact N-O 2.78Å; H26-Y78 VanDerWaalsContact N-O 3.1Å
27K96.8Very high95.4Very high167 Ų16766.4 Ų66.473%0.72633%0.328SS*.Hα-helixtrans-60.6-32.5175.7-174.7173.2-178172.70112.8L25L25-K27 VanDerWaalsContact C-N 3.3Å; L25-K27 PolarHBondContact O-N 2.87Å
28R94.7Very high95.7Very high89 Ų8965.2 Ų65.234%0.33632%0.318SS..Hα-helixtrans-86.3-25.1-175.3-62.7174.6174-79.4-8.2113.7H24 L25 H26 E44H24-R28 WeakPolarHBondContact O-CG 3.17Å; L25-R28 WeakPolarHBondContact O-CA 3.23Å; L25-R28 WeakPolarHBondContact O-CB 3.41Å; L25-R28 PolarHBondContact O-N 2.86Å; H26-R28 PolarHBondContact O-N 2.85Å; R28-E44 HydrophobicContact CB-CB 4.24Å; R28-E44 HydrophobicContact CB-CG 3.83Å; R28-E44 IonicContact NH1-OE2 3.47Å; R28-E44 PolarHBondContact NH1-OE2 3.21Å
29I95.4Very high95.8Very high3 Ų367 Ų672%0.01533%0.33CS..Hα-helixtrans-1036.3178.670.8-175.7000112.6L25 H26 G31 V32 R40 A41 V76L25-I29 WeakPolarHBondContact O-CG1 3.41Å; L25-I29 PolarHBondContact O-N 2.66Å; H26-I29 PolarHBondContact O-N 2.62Å; I29-G31 PolarHBondContact O-N 3.43Å; I29-V32 HydrophobicContact CB-CG2 4.4Å; I29-V32 VanDerWaalsContact O-CB 3.29Å; I29-V32 WeakPolarHBondContact O-CB 3.48Å; I29-V32 WeakPolarHBondContact O-CG2 3.45Å; I29-V32 PolarHBondContact O-N 2.84Å; I29-V32 VanDerWaalsContact O-N 3.12Å; I29-R40 HydrophobicContact CG2-CG 4.38Å; I29-A41 HydrophobicContact CG2-CB 4.1Å; I29-V76 HydrophobicContact CD1-CB 3.82Å; I29-V76 HydrophobicContact CD1-CG1 4.23Å; I29-V76 HydrophobicContact CD1-CG2 4.31Å
30H95.4Very high95.9Very high144 Ų14468 Ų6867%0.66733%0.334SS*.THydrogen-bonded Turntrans-58.7136175.7-170.9-92.9000110.3H26 V32H26-H30 PolarHBondContact O-N 2.91Å; H26-H30 VanDerWaalsContact O-N 3.11Å; H30-V32 PolarHBondContact O-N 2.87Å
31G94.7Very high96Very high74 Ų7467 Ų6776%0.76333%0.329SS*.THydrogen-bonded Turntrans73.5-2.7-176.100000115.7I29I29-G31 PolarHBondContact O-N 3.43Å
32V95.4Very high96Very high32 Ų3268.1 Ų68.119%0.19434%0.335CS..  trans-80129.4178.5-177.70000110I29 H30 R36 R37 R40I29-V32 HydrophobicContact CB-CG2 4.4Å; I29-V32 VanDerWaalsContact O-CB 3.29Å; I29-V32 WeakPolarHBondContact O-CB 3.48Å; I29-V32 WeakPolarHBondContact O-CG2 3.45Å; I29-V32 PolarHBondContact O-N 2.84Å; I29-V32 VanDerWaalsContact O-N 3.12Å; H30-V32 PolarHBondContact O-N 2.87Å; V32-R36 HydrophobicContact CG1-CB 3.91Å; V32-R37 HydrophobicContact CB-CG 4.23Å; V32-R37 HydrophobicContact CG1-CG 4.22Å; V32-R37 PolarHBondContact O-NE 2.91Å; V32-R37 VanDerWaalsContact O-NE 3.14Å; V32-R40 HydrophobicContact CG1-CB 4.09Å; V32-R40 HydrophobicContact CG1-CG 4.37Å; V32-R40 HydrophobicContact CG2-CG 3.98Å
33G96.2Very high96Very high47 Ų4772.2 Ų72.249%0.48535%0.35SS..  trans-54.4143.3175.800000112.6K35 R36 R37G33-K35 VanDerWaalsContact C-N 3.3Å; G33-K35 PolarHBondContact O-N 3.29Å; G33-K35 VanDerWaalsContact O-N 3.15Å; G33-R36 PolarHBondContact O-N 3.23Å; G33-R37 PolarHBondContact O-N 3.15Å
34F95.1Very high96.1Very high100 Ų10072.9 Ų72.944%0.43935%0.353SS..G310 helixtrans-56.2-38.9-166.7-63.4-44.3000114.5R36 R74F34-R36 PolarHBondContact O-N 3.27Å; F34-R74 HydrophobicContact CB-CB 4.34Å; F34-R74 HydrophobicContact CB-CG 3.9Å; F34-R74 HydrophobicContact CD1-CG 3.7Å; F34-R74 HydrophobicContact CE1-CG 4.45Å; F34-R74 HydrophobicContact CG-CG 3.91Å
35K96.1Very high96.1Very high187 Ų18769.5 Ų69.581%0.81334%0.337SS*.G310 helixtrans-69.1-11.3179.1-61-174.2-179.6-178.20114G33 V73G33-K35 VanDerWaalsContact C-N 3.3Å; G33-K35 PolarHBondContact O-N 3.29Å; G33-K35 VanDerWaalsContact O-N 3.15Å; K35-V73 WeakPolarHBondContact O-CG2 3.34Å
36R96Very high96.1Very high179 Ų17974.2 Ų74.268%0.67536%0.358SS*.G310 helixtrans-114.51.4-176-59.9-178.577.1-173.76.7113.5V32 G33 F34 R40V32-R36 HydrophobicContact CG1-CB 3.91Å; G33-R36 PolarHBondContact O-N 3.23Å; F34-R36 PolarHBondContact O-N 3.27Å; R36-R40 WeakPolarHBondContact O-CB 3.48Å; R36-R40 PolarHBondContact O-N 3.1Å
37R96.9Very high96.2Very high54 Ų5475.4 Ų75.420%0.20436%0.364CS..Hα-helixtrans-65.9-53.6-173.4-76.2-176.6173.7-162.5-3.8113.3V32 G33 R40 A41 V73 R74 V76V32-R37 HydrophobicContact CB-CG 4.23Å; V32-R37 HydrophobicContact CG1-CG 4.22Å; V32-R37 PolarHBondContact O-NE 2.91Å; V32-R37 VanDerWaalsContact O-NE 3.14Å; G33-R37 PolarHBondContact O-N 3.15Å; R37-R40 PolarHBondContact O-N 2.99Å; R37-A41 WeakPolarHBondContact O-CB 3.49Å; R37-A41 PolarHBondContact O-N 3.26Å; R37-V73 WeakPolarHBondContact CB-O 3.42Å; R37-R74 WeakPolarHBondContact CD-O 3.23Å; R37-V76 HydrophobicContact CB-CG2 4.03Å
38A96.2Very high96.2Very high0 Ų068.6 Ų68.60%034%0.335CS..Hα-helixtrans-61.9-46.4177.600000113.2R40 A41 I42 I68 W69 V73 V76A38-R40 VanDerWaalsContact C-N 3.3Å; A38-R40 PolarHBondContact O-N 2.92Å; A38-A41 WeakPolarHBondContact O-CB 3.44Å; A38-A41 PolarHBondContact O-N 3.39Å; A38-I42 PolarHBondContact O-N 3.48Å; A38-I42 VanDerWaalsContact O-N 3.1Å; A38-I68 HydrophobicContact CB-CG2 4.41Å; A38-W69 HydrophobicContact CB-CD2 3.91Å; A38-W69 HydrophobicContact CB-CE3 3.84Å; A38-W69 HydrophobicContact CB-CH2 3.95Å; A38-W69 HydrophobicContact CB-CZ2 3.99Å; A38-W69 HydrophobicContact CB-CZ3 3.87Å; A38-V73 HydrophobicContact CB-CG2 4.42Å; A38-V73 PolarHBondContact N-O 2.87Å; A38-V76 HydrophobicContact CB-CG2 3.88Å
39P96.9Very high96.2Very high50 Ų5064.4 Ų64.433%0.32532%0.319SS..Hα-helixtrans-58-39.5172.3-2734.6000113.6I42 K43 W69P39-I42 PolarHBondContact O-N 3.4Å; P39-K43 WeakPolarHBondContact O-CG 3.41Å; P39-K43 PolarHBondContact O-N 2.85Å; P39-W69 HydrophobicContact CG-CH2 3.87Å; P39-W69 HydrophobicContact CG-CZ2 4.07Å
40R97Very high96.2Very high100 Ų10068.5 Ų68.538%0.37734%0.337SS..Hα-helixtrans-67.8-40.9176.5-177.360.5-177.2-162.44.8111.6I29 V32 R36 R37 A38 I42 K43 E44I29-R40 HydrophobicContact CG2-CG 4.38Å; V32-R40 HydrophobicContact CG1-CB 4.09Å; V32-R40 HydrophobicContact CG1-CG 4.37Å; V32-R40 HydrophobicContact CG2-CG 3.98Å; R36-R40 WeakPolarHBondContact O-CB 3.48Å; R36-R40 PolarHBondContact O-N 3.1Å; R37-R40 PolarHBondContact O-N 2.99Å; A38-R40 VanDerWaalsContact C-N 3.3Å; A38-R40 PolarHBondContact O-N 2.92Å; R40-I42 VanDerWaalsContact C-N 3.29Å; R40-I42 PolarHBondContact O-N 3.45Å; R40-K43 PolarHBondContact O-N 3.27Å; R40-K43 VanDerWaalsContact O-N 3.16Å; R40-E44 HydrophobicContact CG-CG 4.24Å; R40-E44 IonicContact CZ-OE1 2.65Å; R40-E44 IonicContact NE-OE1 3.9Å; R40-E44 PolarHBondContact NE-OE1 3.11Å; R40-E44 IonicContact NH2-OE1 3.21Å; R40-E44 PolarHBondContact NH2-OE1 3.03Å; R40-E44 WeakPolarHBondContact O-CB 3.49Å; R40-E44 VanDerWaalsContact O-CG 3.3Å; R40-E44 WeakPolarHBondContact O-CG 3.49Å; R40-E44 PolarHBondContact O-N 3.1Å
41A97.1Very high96.2Very high0 Ų069.4 Ų69.40%034%0.339CS..Hα-helixtrans-58.3-41.817700000112L25 I29 R37 A38 E44 I45 I68 V76L25-A41 HydrophobicContact CD1-CB 4.29Å; L25-A41 HydrophobicContact CD2-CB 4.46Å; I29-A41 HydrophobicContact CG2-CB 4.1Å; R37-A41 WeakPolarHBondContact O-CB 3.49Å; R37-A41 PolarHBondContact O-N 3.26Å; A38-A41 WeakPolarHBondContact O-CB 3.44Å; A38-A41 PolarHBondContact O-N 3.39Å; A41-E44 WeakPolarHBondContact O-CB 3.33Å; A41-E44 PolarHBondContact O-N 2.86Å; A41-I45 VanDerWaalsContact O-CG1 3.28Å; A41-I45 WeakPolarHBondContact O-CG1 3.34Å; A41-I45 PolarHBondContact O-N 2.92Å; A41-I68 HydrophobicContact CB-CG2 4.15Å; A41-V76 HydrophobicContact CB-CG1 3.73Å; A41-V76 HydrophobicContact CB-CG2 4.32Å
42I96.8Very high96.1Very high30 Ų3067.9 Ų67.915%0.15431%0.312CS..Hα-helixtrans-61.4-47.3174.9-69.8174.2000111A38 P39 R40 E44 I45 K46 I60 N65 I68 W69A38-I42 PolarHBondContact O-N 3.48Å; A38-I42 VanDerWaalsContact O-N 3.1Å; P39-I42 PolarHBondContact O-N 3.4Å; R40-I42 VanDerWaalsContact C-N 3.29Å; R40-I42 PolarHBondContact O-N 3.45Å; I42-E44 VanDerWaalsContact C-N 3.31Å; I42-E44 PolarHBondContact O-N 3.19Å; I42-I45 PolarHBondContact O-N 3.25Å; I42-K46 PolarHBondContact O-N 3.03Å; I42-I60 HydrophobicContact CG2-CD1 3.57Å; I42-N65 WeakPolarHBondContact CD1-OD1 3.5Å; I42-I68 HydrophobicContact CG1-CD1 3.95Å; I42-I68 HydrophobicContact CG1-CG2 4.15Å; I42-W69 HydrophobicContact CD1-CZ2 4.4Å
43K96.8Very high95.9Very high125 Ų12566.6 Ų66.654%0.54330%0.304SS..Hα-helixtrans-59.8-42.2176.2-70.2-178.9177.7-171.40111.7P39 R40 K46 M47P39-K43 WeakPolarHBondContact O-CG 3.41Å; P39-K43 PolarHBondContact O-N 2.85Å; R40-K43 PolarHBondContact O-N 3.27Å; R40-K43 VanDerWaalsContact O-N 3.16Å; K43-K46 PolarHBondContact O-N 2.87Å; K43-M47 WeakPolarHBondContact O-CG 3.47Å; K43-M47 PolarHBondContact O-N 3.25Å
44E96.6Very high95.6Very high16 Ų1667.1 Ų67.18%0.07531%0.31CS..Hα-helixtrans-63.7-38.5177.1-75.8-66.6153.600113.1R28 R40 A41 I42 M47 F48R28-E44 HydrophobicContact CB-CB 4.24Å; R28-E44 HydrophobicContact CB-CG 3.83Å; R28-E44 IonicContact NH1-OE2 3.47Å; R28-E44 PolarHBondContact NH1-OE2 3.21Å; R40-E44 HydrophobicContact CG-CG 4.24Å; R40-E44 IonicContact CZ-OE1 2.65Å; R40-E44 IonicContact NE-OE1 3.9Å; R40-E44 PolarHBondContact NE-OE1 3.11Å; R40-E44 IonicContact NH2-OE1 3.21Å; R40-E44 PolarHBondContact NH2-OE1 3.03Å; R40-E44 WeakPolarHBondContact O-CB 3.49Å; R40-E44 VanDerWaalsContact O-CG 3.3Å; R40-E44 WeakPolarHBondContact O-CG 3.49Å; R40-E44 PolarHBondContact O-N 3.1Å; A41-E44 WeakPolarHBondContact O-CB 3.33Å; A41-E44 PolarHBondContact O-N 2.86Å; I42-E44 VanDerWaalsContact C-N 3.31Å; I42-E44 PolarHBondContact O-N 3.19Å; E44-M47 HydrophobicContact CB-CE 4.49Å; E44-M47 HydrophobicContact CG-CE 4.05Å; E44-M47 PolarHBondContact O-N 2.82Å; E44-M47 WeakPolarHBondContact OE1-CE 3.38Å; E44-F48 VanDerWaalsContact O-CB 3.3Å; E44-F48 WeakPolarHBondContact O-CB 3.34Å; E44-F48 PolarHBondContact O-N 2.92Å
45I96.7Very high95.4Very high0 Ų062.8 Ų62.80%029%0.291CS..Hα-helixtrans-65.7-42.5174.3-69.8166000110.6I23 L25 A41 I42 F48 A49 L64 I68 V102I23-I45 HydrophobicContact CD1-CB 4.45Å; I23-I45 HydrophobicContact CD1-CG1 4Å; I23-I45 HydrophobicContact CD1-CG2 4.23Å; L25-I45 HydrophobicContact CD1-CD1 4.29Å; L25-I45 HydrophobicContact CD2-CD1 4.03Å; L25-I45 HydrophobicContact CD2-CG1 3.75Å; A41-I45 VanDerWaalsContact O-CG1 3.28Å; A41-I45 WeakPolarHBondContact O-CG1 3.34Å; A41-I45 PolarHBondContact O-N 2.92Å; I42-I45 PolarHBondContact O-N 3.25Å; I45-F48 PolarHBondContact O-N 2.86Å; I45-A49 WeakPolarHBondContact O-CB 3.2Å; I45-A49 PolarHBondContact O-N 2.92Å; I45-L64 HydrophobicContact CG2-CD2 4.19Å; I45-I68 HydrophobicContact CD1-CD1 3.31Å; I45-I68 HydrophobicContact CD1-CG1 4.01Å; I45-V102 HydrophobicContact CG2-CG1 3.93Å
46K96.7Very high95.2Very high98 Ų9858.9 Ų58.943%0.42628%0.276SS..Hα-helixtrans-60-48.5174.4-68.5-168.4173.6-172.90111.7I42 K43 F48 A49 K50 V58 I60I42-K46 PolarHBondContact O-N 3.03Å; K43-K46 PolarHBondContact O-N 2.87Å; K46-F48 VanDerWaalsContact C-N 3.31Å; K46-F48 PolarHBondContact O-N 3.25Å; K46-A49 PolarHBondContact O-N 2.9Å; K46-K50 WeakPolarHBondContact O-CB 3.22Å; K46-K50 PolarHBondContact O-N 2.82Å; K46-V58 HydrophobicContact CB-CG1 4.47Å; K46-V58 HydrophobicContact CG-CG1 4.31Å; K46-I60 HydrophobicContact CD-CD1 4.23Å; K46-I60 HydrophobicContact CG-CD1 3.58Å; K46-I60 HydrophobicContact CG-CG1 4.18Å
47M96.8Very high95.1Very high88 Ų8852.2 Ų52.243%0.43325%0.254SS..Hα-helixtrans-61.4-39.3177.4-71.3-173.7-66.500112.1K43 E44 K51K43-M47 WeakPolarHBondContact O-CG 3.47Å; K43-M47 PolarHBondContact O-N 3.25Å; E44-M47 HydrophobicContact CB-CE 4.49Å; E44-M47 HydrophobicContact CG-CE 4.05Å; E44-M47 PolarHBondContact O-N 2.82Å; E44-M47 WeakPolarHBondContact OE1-CE 3.38Å; M47-K51 WeakPolarHBondContact O-CB 3.46Å; M47-K51 PolarHBondContact O-N 3.04Å
48F96.5Very high95.1Very high25 Ų2550.4 Ų50.411%0.1125%0.249CC..Hα-helixtrans-62.7-48.4174.9-178.2-95.3000111.6Y21 I23 E44 I45 K46 K50 K51 M52 L84Y21-F48 HydrophobicContact CD1-CE1 4.25Å; Y21-F48 AromaticContact CD1-CZ 4Å; Y21-F48 HydrophobicContact CD1-CZ 4Å; Y21-F48 HydrophobicContact CD2-CE1 4.33Å; Y21-F48 AromaticContact CG-CE1 3.87Å; Y21-F48 HydrophobicContact CG-CE1 3.87Å; Y21-F48 HydrophobicContact CG-CZ 4.07Å; I23-F48 HydrophobicContact CD1-CB 4.26Å; I23-F48 HydrophobicContact CD1-CD1 3.43Å; I23-F48 VanDerWaalsContact CD1-CD1 3.43Å; I23-F48 HydrophobicContact CD1-CE1 3.95Å; I23-F48 HydrophobicContact CD1-CG 3.94Å; I23-F48 HydrophobicContact CG1-CD1 3.63Å; I23-F48 HydrophobicContact CG1-CE1 3.66Å; I23-F48 HydrophobicContact CG1-CG 4.09Å; I23-F48 HydrophobicContact CG1-CZ 4.15Å; E44-F48 VanDerWaalsContact O-CB 3.3Å; E44-F48 WeakPolarHBondContact O-CB 3.34Å; E44-F48 PolarHBondContact O-N 2.92Å; I45-F48 PolarHBondContact O-N 2.86Å; K46-F48 VanDerWaalsContact C-N 3.31Å; K46-F48 PolarHBondContact O-N 3.25Å; F48-K50 PolarHBondContact O-N 2.89Å; F48-K51 PolarHBondContact O-N 3.31Å; F48-M52 HydrophobicContact CD1-CG 4.04Å; F48-M52 HydrophobicContact CD2-CG 4.24Å; F48-M52 HydrophobicContact CE1-CG 3.66Å; F48-M52 HydrophobicContact CE2-CG 3.9Å; F48-M52 HydrophobicContact CE2-SD 4.32Å; F48-M52 HydrophobicContact CG-CG 4.34Å; F48-M52 HydrophobicContact CZ-CG 3.6Å; F48-M52 HydrophobicContact CZ-SD 4.32Å; F48-M52 WeakPolarHBondContact O-CB 3.45Å; F48-M52 VanDerWaalsContact O-CG 3.3Å; F48-M52 WeakPolarHBondContact O-CG 3.46Å; F48-M52 PolarHBondContact O-N 3.46Å; F48-L84 HydrophobicContact CD1-CD1 4.24Å; F48-L84 HydrophobicContact CE1-CD1 4.11Å
49A95.6Very high95Very high0 Ų055.2 Ų55.20%027%0.267CS..Hα-helixtrans-60.1-45.9178.100000111.9I45 K46 K51 M52 M53 V58 L84 T100 V102I45-A49 WeakPolarHBondContact O-CB 3.2Å; I45-A49 PolarHBondContact O-N 2.92Å; K46-A49 PolarHBondContact O-N 2.9Å; A49-K51 VanDerWaalsContact C-N 3.34Å; A49-K51 PolarHBondContact O-N 3.34Å; A49-M52 PolarHBondContact O-N 3.23Å; A49-M53 PolarHBondContact O-N 3.06Å; A49-V58 HydrophobicContact CB-CG1 3.64Å; A49-V58 HydrophobicContact CB-CG2 4.13Å; A49-L84 HydrophobicContact CB-CD1 4.35Å; A49-L84 HydrophobicContact CB-CD2 3.67Å; A49-T100 HydrophobicContact CB-CG2 4.32Å; A49-V102 HydrophobicContact CB-CG2 3.84Å
50K95.1Very high95Very high89 Ų8954.8 Ų54.839%0.38726%0.261SS..Hα-helixtrans-55.9-46.1175.1178.8169.1-179.1175.30111.8K46 F48 G54 T55 E56 V58K46-K50 WeakPolarHBondContact O-CB 3.22Å; K46-K50 PolarHBondContact O-N 2.82Å; F48-K50 PolarHBondContact O-N 2.89Å; K50-G54 VanDerWaalsContact O-CA 3.23Å; K50-G54 WeakPolarHBondContact O-CA 3.31Å; K50-G54 PolarHBondContact O-N 2.86Å; K50-T55 WeakPolarHBondContact CG-O 3.3Å; K50-E56 WeakPolarHBondContact CE-OE2 3.39Å; K50-E56 IonicContact NZ-OE1 2.64Å; K50-E56 PolarHBondContact NZ-OE1 2.72Å; K50-E56 IonicContact NZ-OE2 3Å; K50-E56 PolarHBondContact NZ-OE2 3.11Å; K50-V58 HydrophobicContact CB-CG2 4.31Å
51K94.2Very high95Very high164 Ų16450.8 Ų50.871%0.71325%0.251SS*.Hα-helixtrans-64-43.9176.4-174.4175.8-177.4172.90112.6R13 M47 F48 A49R13-K51 PolarHBondContact NH1-O 3.41Å; R13-K51 VanDerWaalsContact NH1-O 3.11Å; M47-K51 WeakPolarHBondContact O-CB 3.46Å; M47-K51 PolarHBondContact O-N 3.04Å; F48-K51 PolarHBondContact O-N 3.31Å; A49-K51 VanDerWaalsContact C-N 3.34Å; A49-K51 PolarHBondContact O-N 3.34Å
52M93Very high94.9Very high41 Ų4155.8 Ų55.820%0.20228%0.282CS..Hα-helixtrans-78.5-31.8-173.1-64.7-50.1-77.700113.7R13 Y21 F48 A49 L84R13-M52 VanDerWaalsContact NH1-C 3.29Å; R13-M52 PolarHBondContact NH1-O 3.12Å; R13-M52 PolarHBondContact NH2-O 2.7Å; R13-M52 VanDerWaalsContact NH2-O 3.1Å; Y21-M52 HydrophobicContact CD1-CE 4.08Å; Y21-M52 HydrophobicContact CE1-CE 3.26Å; Y21-M52 HydrophobicContact CE2-CB 4.42Å; F48-M52 HydrophobicContact CD1-CG 4.04Å; F48-M52 HydrophobicContact CD2-CG 4.24Å; F48-M52 HydrophobicContact CE1-CG 3.66Å; F48-M52 HydrophobicContact CE2-CG 3.9Å; F48-M52 HydrophobicContact CE2-SD 4.32Å; F48-M52 HydrophobicContact CG-CG 4.34Å; F48-M52 HydrophobicContact CZ-CG 3.6Å; F48-M52 HydrophobicContact CZ-SD 4.32Å; F48-M52 WeakPolarHBondContact O-CB 3.45Å; F48-M52 VanDerWaalsContact O-CG 3.3Å; F48-M52 WeakPolarHBondContact O-CG 3.46Å; F48-M52 PolarHBondContact O-N 3.46Å; A49-M52 PolarHBondContact O-N 3.23Å; M52-L84 HydrophobicContact CB-CD1 3.95Å
53M92.2Very high94.9Very high5 Ų562.1 Ų62.13%0.02530%0.304CS..Hα-helixtrans-104.1-21-179.3-67.1-55.2-177.300114.2R19 Y21 A49 T55 L84 R86 T100R19-M53 HydrophobicContact CB-CE 4.08Å; R19-M53 HydrophobicContact CG-CE 4.28Å; Y21-M53 HydrophobicContact CE2-CE 4.34Å; A49-M53 PolarHBondContact O-N 3.06Å; M53-T55 HydrophobicContact CB-CG2 4.44Å; M53-T55 WeakPolarHBondContact CB-OG1 3.35Å; M53-L84 HydrophobicContact CE-CB 3.31Å; M53-L84 HydrophobicContact CE-CD1 4.35Å; M53-L84 HydrophobicContact CE-CG 4.46Å; M53-L84 WeakPolarHBondContact CE-O 3.49Å; M53-L84 HydrophobicContact CG-CB 4.23Å; M53-L84 HydrophobicContact CG-CD1 4.37Å; M53-R86 HydrophobicContact CG-CB 4.45Å; M53-R86 PolarHBondContact O-NH1 3.04Å; M53-R86 HydrophobicContact SD-CB 4.2Å; M53-T100 HydrophobicContact CB-CG2 4.29Å; M53-T100 WeakPolarHBondContact CB-OG1 3.19Å; M53-T100 HydrophobicContact CG-CG2 3.84Å
54G89.8Confident94.9Very high59 Ų5956.2 Ų56.261%0.60828%0.278SS*.  trans72.330.9-178.900000113.2K50K50-G54 VanDerWaalsContact O-CA 3.23Å; K50-G54 WeakPolarHBondContact O-CA 3.31Å; K50-G54 PolarHBondContact O-N 2.86Å
55T90.6Very high94.9Very high8 Ų858.4 Ų58.45%0.04929%0.29CS..  trans-115.1137.9-176.640.50000109.3K50 M53 R86 F98 T100K50-T55 WeakPolarHBondContact CG-O 3.3Å; M53-T55 HydrophobicContact CB-CG2 4.44Å; M53-T55 WeakPolarHBondContact CB-OG1 3.35Å; T55-R86 HydrophobicContact CG2-CG 3.93Å; T55-F98 HydrophobicContact CG2-CB 3.91Å; T55-T100 WeakPolarHBondContact CB-OG1 3.28Å; T55-T100 WeakPolarHBondContact OG1-CB 3.36Å; T55-T100 PolarHBondContact OG1-OG1 3.41Å
56E92.6Very high94.9Very high106 Ų10664.1 Ų64.150%0.49532%0.317SS..SBendtrans-79.6-44.9177.3-168.462.3-134.800111.1K50 V58 H96K50-E56 WeakPolarHBondContact CE-OE2 3.39Å; K50-E56 IonicContact NZ-OE1 2.64Å; K50-E56 PolarHBondContact NZ-OE1 2.72Å; K50-E56 IonicContact NZ-OE2 3Å; K50-E56 PolarHBondContact NZ-OE2 3.11Å; E56-V58 PolarHBondContact O-N 3.29Å; E56-H96 WeakPolarHBondContact CB-NE2 3.45Å; E56-H96 WeakPolarHBondContact CG-NE2 3.41Å
57D93.5Very high94.9Very high39 Ų3962.3 Ų62.321%0.20931%0.309CS..EExtended strand (participates in β ladder)trans-75.3110.9175.6-176.14.3000110.8R59 Y99 T100D57-R59 WeakPolarHBondContact OD1-CG 3.15Å; D57-R59 IonicContact OD1-NE 3.41Å; D57-R59 IonicContact OD2-CZ 3.54Å; D57-R59 IonicContact OD2-NE 2.82Å; D57-R59 PolarHBondContact OD2-NE 3.38Å; D57-R59 IonicContact OD2-NH2 3.35Å; D57-R59 PolarHBondContact OD2-NH2 3.16Å; D57-Y99 CarbonylContact O-C 3.6Å; D57-Y99 WeakPolarHBondContact O-CA 3.41Å; D57-Y99 VanDerWaalsContact OD2-CB 3.31Å; D57-Y99 WeakPolarHBondContact OD2-CB 3.13Å; D57-T100 PolarHBondContact O-N 3.42Å
58V95.8Very high94.9Very high16 Ų1658.1 Ų58.110%0.09729%0.289CS..EExtended strand (participates in β ladder)trans-122.5115.3176.2-177.50000110.4K46 A49 K50 E56 T100 V102K46-V58 HydrophobicContact CB-CG1 4.47Å; K46-V58 HydrophobicContact CG-CG1 4.31Å; A49-V58 HydrophobicContact CB-CG1 3.64Å; A49-V58 HydrophobicContact CB-CG2 4.13Å; K50-V58 HydrophobicContact CB-CG2 4.31Å; E56-V58 PolarHBondContact O-N 3.29Å; V58-T100 WeakPolarHBondContact CA-O 3.3Å; V58-V102 HydrophobicContact CG1-CG2 3.64Å
59R95.3Very high94.9Very high101 Ų10161.6 Ų61.638%0.38130%0.301SS..EExtended strand (participates in β ladder)trans-104.6123.4-179.9-53.9-175.1-169.1-178.33.3109.7D57 Y99 T100 L101 V102D57-R59 WeakPolarHBondContact OD1-CG 3.15Å; D57-R59 IonicContact OD1-NE 3.41Å; D57-R59 IonicContact OD2-CZ 3.54Å; D57-R59 IonicContact OD2-NE 2.82Å; D57-R59 PolarHBondContact OD2-NE 3.38Å; D57-R59 IonicContact OD2-NH2 3.35Å; D57-R59 PolarHBondContact OD2-NH2 3.16Å; R59-Y99 HydrophobicContact CG-CD2 4.34Å; R59-T100 PolarHBondContact N-O 2.97Å; R59-L101 HydrophobicContact CB-CD1 4.2Å; R59-V102 PolarHBondContact O-N 3.1Å
60I96.7Very high94.9Very high40 Ų4065.2 Ų65.221%0.20533%0.326CS..EExtended strand (participates in β ladder)trans-91.8125.3177.7-70176.1000108.5I42 K46 L64 N65I42-I60 HydrophobicContact CG2-CD1 3.57Å; K46-I60 HydrophobicContact CD-CD1 4.23Å; K46-I60 HydrophobicContact CG-CD1 3.58Å; K46-I60 HydrophobicContact CG-CG1 4.18Å; I60-L64 HydrophobicContact CG2-CB 4.25Å; I60-L64 HydrophobicContact CG2-CD2 4.22Å; I60-L64 HydrophobicContact CG2-CG 4.31Å; I60-N65 HydrophobicContact CG2-CB 4.35Å
61G95.9Very high94.9Very high16 Ų1667.6 Ų67.617%0.16534%0.337CS..  trans-66.5146174.800000112.1R63 L64 N65 V102G61-R63 VanDerWaalsContact C-N 3.33Å; G61-R63 PolarHBondContact O-N 3.01Å; G61-L64 WeakPolarHBondContact O-CB 3.44Å; G61-L64 PolarHBondContact O-N 2.85Å; G61-N65 PolarHBondContact O-N 3.31Å; G61-N65 VanDerWaalsContact O-N 3.11Å; G61-V102 PolarHBondContact N-O 2.9Å
62V96.7Very high94.9Very high106 Ų10661.4 Ų61.464%0.64232%0.319SS*.Hα-helixtrans-57-44.3-176.6-176.70000112L64 N65 Q66V62-L64 VanDerWaalsContact C-N 3.26Å; V62-L64 PolarHBondContact O-N 3.21Å; V62-N65 WeakPolarHBondContact O-CB 3.3Å; V62-N65 PolarHBondContact O-N 2.9Å; V62-N65 VanDerWaalsContact O-N 3.08Å; V62-Q66 HydrophobicContact CG1-CG 4.4Å; V62-Q66 WeakPolarHBondContact O-CG 3.3Å; V62-Q66 PolarHBondContact O-N 2.91Å
63R96.6Very high95.1Very high163 Ų16362 Ų6262%0.61533%0.325SS*.Hα-helixtrans-59.9-35177.8-65.4-176.369.4-171.23.1112.9G61 F67 F104G61-R63 VanDerWaalsContact C-N 3.33Å; G61-R63 PolarHBondContact O-N 3.01Å; R63-F67 WeakPolarHBondContact O-CB 3.47Å; R63-F67 PolarHBondContact O-N 3.18Å; R63-F104 HydrophobicContact CB-CB 4.44Å
64L96.8Very high95.2Very high0 Ų067.9 Ų67.90%035%0.347CS..Hα-helixtrans-70.3-41.6175.5-179.859.7000111.2I45 I60 G61 V62 F67 I68 V80 V82 V102 F104I45-L64 HydrophobicContact CG2-CD2 4.19Å; I60-L64 HydrophobicContact CG2-CB 4.25Å; I60-L64 HydrophobicContact CG2-CD2 4.22Å; I60-L64 HydrophobicContact CG2-CG 4.31Å; G61-L64 WeakPolarHBondContact O-CB 3.44Å; G61-L64 PolarHBondContact O-N 2.85Å; V62-L64 VanDerWaalsContact C-N 3.26Å; V62-L64 PolarHBondContact O-N 3.21Å; L64-F67 PolarHBondContact O-N 2.83Å; L64-I68 HydrophobicContact CD1-CD1 4.18Å; L64-I68 HydrophobicContact CD1-CG1 4.36Å; L64-I68 HydrophobicContact CG-CD1 3.96Å; L64-I68 WeakPolarHBondContact O-CD1 3.28Å; L64-I68 VanDerWaalsContact O-CG1 3.23Å; L64-I68 WeakPolarHBondContact O-CG1 3.13Å; L64-I68 PolarHBondContact O-N 3.24Å; L64-V80 HydrophobicContact CD1-CG1 3.73Å; L64-V82 HydrophobicContact CD1-CG1 3.86Å; L64-V82 HydrophobicContact CD2-CG1 3.96Å; L64-V102 HydrophobicContact CD2-CB 4.02Å; L64-V102 HydrophobicContact CD2-CG1 3.29Å; L64-F104 HydrophobicContact CB-CB 3.95Å; L64-F104 HydrophobicContact CD1-CB 4.1Å; L64-F104 HydrophobicContact CD1-CD2 4.27Å
65N96.5Very high95.5Very high62 Ų6269.5 Ų69.533%0.33234%0.341SS..Hα-helixtrans-59.6-50.8174.1-17362.9000110.9I42 I60 G61 V62 F67 I68 W69I42-N65 WeakPolarHBondContact CD1-OD1 3.5Å; I60-N65 HydrophobicContact CG2-CB 4.35Å; G61-N65 PolarHBondContact O-N 3.31Å; G61-N65 VanDerWaalsContact O-N 3.11Å; V62-N65 WeakPolarHBondContact O-CB 3.3Å; V62-N65 PolarHBondContact O-N 2.9Å; V62-N65 VanDerWaalsContact O-N 3.08Å; N65-F67 VanDerWaalsContact C-N 3.3Å; N65-F67 PolarHBondContact O-N 3.25Å; N65-I68 PolarHBondContact O-N 3.33Å; N65-I68 VanDerWaalsContact O-N 3.16Å; N65-W69 PolarHBondContact O-N 3.5Å; N65-W69 VanDerWaalsContact OD1-CD1 3.28Å; N65-W69 PolarHBondContact OD1-NE1 3.1Å
66Q97Very high95.7Very high120 Ų12069.3 Ų69.356%0.56134%0.34SS*.Hα-helixtrans-54.7-44.5175.8-71.8171.6-23.200112.1V62 I68 W69 S70V62-Q66 HydrophobicContact CG1-CG 4.4Å; V62-Q66 WeakPolarHBondContact O-CG 3.3Å; V62-Q66 PolarHBondContact O-N 2.91Å; Q66-I68 PolarHBondContact O-N 2.8Å; Q66-W69 CarbonylContact O-C 3.52Å; Q66-W69 PolarHBondContact O-N 2.89Å; Q66-S70 WeakPolarHBondContact O-CA 3.45Å; Q66-S70 PolarHBondContact O-N 2.94Å
67F96.5Very high95.8Very high61 Ų6165.1 Ų65.127%0.26832%0.322SS..Hα-helixtrans-63.7-40.8178.7-176-110.3000113R63 L64 N65 W69 S70 P77 V80 F104R63-F67 WeakPolarHBondContact O-CB 3.47Å; R63-F67 PolarHBondContact O-N 3.18Å; L64-F67 PolarHBondContact O-N 2.83Å; N65-F67 VanDerWaalsContact C-N 3.3Å; N65-F67 PolarHBondContact O-N 3.25Å; F67-W69 VanDerWaalsContact C-N 3.31Å; F67-W69 PolarHBondContact O-N 2.89Å; F67-S70 WeakPolarHBondContact O-CB 3.17Å; F67-S70 PolarHBondContact O-N 2.81Å; F67-S70 PolarHBondContact O-OG 3.31Å; F67-P77 HydrophobicContact CD1-CG 4.33Å; F67-P77 HydrophobicContact CE1-CB 4.03Å; F67-P77 HydrophobicContact CE1-CG 3.88Å; F67-P77 HydrophobicContact CZ-CB 4.28Å; F67-P77 HydrophobicContact CZ-CG 4.09Å; F67-V80 HydrophobicContact CD1-CG1 3.84Å; F67-V80 HydrophobicContact CD1-CG2 4.2Å; F67-V80 HydrophobicContact CE1-CB 4.34Å; F67-V80 HydrophobicContact CE1-CG1 3.86Å; F67-V80 HydrophobicContact CE1-CG2 3.86Å; F67-F104 HydrophobicContact CB-CD2 4.22Å; F67-F104 HydrophobicContact CB-CE2 4.28Å; F67-F104 HydrophobicContact CB-CG 4.34Å; F67-F104 HydrophobicContact CB-CZ 4.43Å; F67-F104 AromaticContact CD1-CD2 3.74Å; F67-F104 HydrophobicContact CD1-CD2 3.74Å; F67-F104 AromaticContact CD1-CE2 3.34Å; F67-F104 HydrophobicContact CD1-CE2 3.34Å; F67-F104 AromaticContact CD1-CZ 3.96Å; F67-F104 HydrophobicContact CD1-CZ 3.96Å; F67-F104 HydrophobicContact CD2-CE1 4.14Å; F67-F104 AromaticContact CD2-CE2 3.89Å; F67-F104 HydrophobicContact CD2-CE2 3.89Å; F67-F104 AromaticContact CD2-CZ 3.59Å; F67-F104 HydrophobicContact CD2-CZ 3.59Å; F67-F104 HydrophobicContact CE1-CD2 4.25Å; F67-F104 AromaticContact CE1-CE2 3.47Å; F67-F104 HydrophobicContact CE1-CE2 3.47Å; F67-F104 VanDerWaalsContact CE1-CE2 3.47Å; F67-F104 HydrophobicContact CE1-CZ 4.05Å; F67-F104 HydrophobicContact CE2-CE2 4.01Å; F67-F104 AromaticContact CE2-CZ 3.7Å; F67-F104 HydrophobicContact CE2-CZ 3.7Å; F67-F104 AromaticContact CG-CD2 3.95Å; F67-F104 HydrophobicContact CG-CD2 3.95Å; F67-F104 HydrophobicContact CG-CE1 4.27Å; F67-F104 AromaticContact CG-CE2 3.56Å; F67-F104 HydrophobicContact CG-CE2 3.56Å; F67-F104 HydrophobicContact CG-CG 4.46Å; F67-F104 AromaticContact CG-CZ 3.73Å; F67-F104 HydrophobicContact CG-CZ 3.73Å; F67-F104 AromaticContact CZ-CE2 3.81Å; F67-F104 HydrophobicContact CZ-CE2 3.81Å; F67-F104 AromaticContact CZ-CZ 3.93Å; F67-F104 HydrophobicContact CZ-CZ 3.93Å
68I96.3Very high95.9Very high0 Ų070.5 Ų70.50%034%0.341CS..Hα-helixtrans-63.8-39.6177.2-66158.6000111.1A38 A41 I42 I45 L64 N65 Q66 V76A38-I68 HydrophobicContact CB-CG2 4.41Å; A41-I68 HydrophobicContact CB-CG2 4.15Å; I42-I68 HydrophobicContact CG1-CD1 3.95Å; I42-I68 HydrophobicContact CG1-CG2 4.15Å; I45-I68 HydrophobicContact CD1-CD1 3.31Å; I45-I68 HydrophobicContact CD1-CG1 4.01Å; L64-I68 HydrophobicContact CD1-CD1 4.18Å; L64-I68 HydrophobicContact CD1-CG1 4.36Å; L64-I68 HydrophobicContact CG-CD1 3.96Å; L64-I68 WeakPolarHBondContact O-CD1 3.28Å; L64-I68 VanDerWaalsContact O-CG1 3.23Å; L64-I68 WeakPolarHBondContact O-CG1 3.13Å; L64-I68 PolarHBondContact O-N 3.24Å; N65-I68 PolarHBondContact O-N 3.33Å; N65-I68 VanDerWaalsContact O-N 3.16Å; Q66-I68 PolarHBondContact O-N 2.8Å; I68-V76 HydrophobicContact CG2-CG1 4.29Å
69W96.7Very high95.9Very high98 Ų9875.2 Ų75.237%0.37136%0.357SS..Hα-helixtrans-86.5-3.9-179.5-73100.1000114.3A38 P39 I42 N65 Q66 F67 K71 G72 V73A38-W69 HydrophobicContact CB-CD2 3.91Å; A38-W69 HydrophobicContact CB-CE3 3.84Å; A38-W69 HydrophobicContact CB-CH2 3.95Å; A38-W69 HydrophobicContact CB-CZ2 3.99Å; A38-W69 HydrophobicContact CB-CZ3 3.87Å; P39-W69 HydrophobicContact CG-CH2 3.87Å; P39-W69 HydrophobicContact CG-CZ2 4.07Å; I42-W69 HydrophobicContact CD1-CZ2 4.4Å; N65-W69 PolarHBondContact O-N 3.5Å; N65-W69 VanDerWaalsContact OD1-CD1 3.28Å; N65-W69 PolarHBondContact OD1-NE1 3.1Å; Q66-W69 CarbonylContact O-C 3.52Å; Q66-W69 PolarHBondContact O-N 2.89Å; F67-W69 VanDerWaalsContact C-N 3.31Å; F67-W69 PolarHBondContact O-N 2.89Å; W69-K71 PolarHBondContact O-N 3.33Å; W69-K71 VanDerWaalsContact O-N 3.08Å; W69-G72 PolarHBondContact O-N 2.99Å; W69-V73 HydrophobicContact CH2-CG2 4.45Å; W69-V73 HydrophobicContact CZ3-CB 4.04Å; W69-V73 HydrophobicContact CZ3-CG2 4.15Å
70S95.5Very high95.9Very high75 Ų7570.4 Ų70.452%0.52434%0.338SS..THydrogen-bonded Turntrans-55.3-31.3-173.459.40000114.7Q66 F67Q66-S70 WeakPolarHBondContact O-CA 3.45Å; Q66-S70 PolarHBondContact O-N 2.94Å; F67-S70 WeakPolarHBondContact O-CB 3.17Å; F67-S70 PolarHBondContact O-N 2.81Å; F67-S70 PolarHBondContact O-OG 3.31Å
71K94.7Very high95.9Very high140 Ų14068.6 Ų68.661%0.60933%0.329SS*.THydrogen-bonded Turntrans-106.518.1178.2-58.6-173.8177.8-170.90112.9W69 N75W69-K71 PolarHBondContact O-N 3.33Å; W69-K71 VanDerWaalsContact O-N 3.08Å; K71-N75 HydrophobicContact CB-CB 3.78Å; K71-N75 VanDerWaalsContact CB-O 3.25Å; K71-N75 WeakPolarHBondContact CB-O 3.29Å
72G94.9Very high96Very high33 Ų3367.9 Ų67.934%0.3432%0.321SS..THydrogen-bonded Turntrans75.5-169.6-176.600000114.2W69 R74W69-G72 PolarHBondContact O-N 2.99Å; G72-R74 PolarHBondContact O-N 3.05Å
73V96.1Very high95.9Very high53 Ų5367.2 Ų67.232%0.32131%0.308SS..THydrogen-bonded Turntrans-69-32-169.169.10000114.2K35 R37 A38 W69K35-V73 WeakPolarHBondContact O-CG2 3.34Å; R37-V73 WeakPolarHBondContact CB-O 3.42Å; A38-V73 HydrophobicContact CB-CG2 4.42Å; A38-V73 PolarHBondContact N-O 2.87Å; W69-V73 HydrophobicContact CH2-CG2 4.45Å; W69-V73 HydrophobicContact CZ3-CB 4.04Å; W69-V73 HydrophobicContact CZ3-CG2 4.15Å
74R94.9Very high95.9Very high129 Ų12959.5 Ų59.549%0.48728%0.278SS..THydrogen-bonded Turntrans-86-39.9-172.5-179177.8176.4-178.6-2.3113.2F34 R37 G72 V76F34-R74 HydrophobicContact CB-CB 4.34Å; F34-R74 HydrophobicContact CB-CG 3.9Å; F34-R74 HydrophobicContact CD1-CG 3.7Å; F34-R74 HydrophobicContact CE1-CG 4.45Å; F34-R74 HydrophobicContact CG-CG 3.91Å; R37-R74 WeakPolarHBondContact CD-O 3.23Å; G72-R74 PolarHBondContact O-N 3.05Å; R74-V76 PolarHBondContact O-N 3.16Å
75N95Very high95.8Very high93 Ų9359.9 Ų59.950%0.49728%0.282SS..  trans-103.748.8-162.5-65.5-23.3000112.9K71K71-N75 HydrophobicContact CB-CB 3.78Å; K71-N75 VanDerWaalsContact CB-O 3.25Å; K71-N75 WeakPolarHBondContact CB-O 3.29Å
76V95.4Very high95.6Very high5 Ų557.8 Ų57.83%0.0327%0.269CS..  trans-56.7137.9179.3-177.70000111.2L25 I29 R37 A38 A41 I68 R74 Y78L25-V76 HydrophobicContact CD1-CG1 3.73Å; I29-V76 HydrophobicContact CD1-CB 3.82Å; I29-V76 HydrophobicContact CD1-CG1 4.23Å; I29-V76 HydrophobicContact CD1-CG2 4.31Å; R37-V76 HydrophobicContact CB-CG2 4.03Å; A38-V76 HydrophobicContact CB-CG2 3.88Å; A41-V76 HydrophobicContact CB-CG1 3.73Å; A41-V76 HydrophobicContact CB-CG2 4.32Å; I68-V76 HydrophobicContact CG2-CG1 4.29Å; R74-V76 PolarHBondContact O-N 3.16Å; V76-Y78 PolarHBondContact O-N 3.28Å
77P95.7Very high95.4Very high17 Ų1755.8 Ų55.811%0.1126%0.259CS..  trans-52.7136.8174.4-26.634.4000112.9L25 F67 R79 V80L25-P77 WeakPolarHBondContact CB-O 2.94Å; F67-P77 HydrophobicContact CD1-CG 4.33Å; F67-P77 HydrophobicContact CE1-CB 4.03Å; F67-P77 HydrophobicContact CE1-CG 3.88Å; F67-P77 HydrophobicContact CZ-CB 4.28Å; F67-P77 HydrophobicContact CZ-CG 4.09Å; P77-R79 VanDerWaalsContact C-N 3.32Å; P77-R79 PolarHBondContact O-N 3.08Å; P77-V80 HydrophobicContact CB-CG2 4.15Å
78Y95.5Very high95.1Very high152 Ų15255.2 Ų55.260%0.59627%0.265SS*.SBendtrans-68.4-32.5-175.1-72.62.4000113.6H24 L25 H26 V76H24-Y78 PolarHBondContact ND1-O 3.26Å; L25-Y78 PolarHBondContact N-O 3.02Å; H26-Y78 HydrophobicContact CB-CD1 4.07Å; H26-Y78 HydrophobicContact CB-CG 4Å; H26-Y78 AromaticContact CD2-CD1 3.77Å; H26-Y78 AromaticContact CD2-CE1 3.61Å; H26-Y78 AromaticContact CD2-CZ 3.93Å; H26-Y78 PolarHBondContact N-O 2.78Å; H26-Y78 VanDerWaalsContact N-O 3.1Å; V76-Y78 PolarHBondContact O-N 3.28Å
79R95.7Very high94.8Very high115 Ų11556.7 Ų56.743%0.43427%0.273SS..EExtended strand (participates in β ladder)trans-136.6145.2177.2-65.8-176.7178.1-175.11.6109.1T22 I23 P77 F110T22-R79 HydrophobicContact CG2-CB 4.19Å; I23-R79 VanDerWaalsContact O-CA 3.28Å; I23-R79 WeakPolarHBondContact O-CA 3.46Å; P77-R79 VanDerWaalsContact C-N 3.32Å; P77-R79 PolarHBondContact O-N 3.08Å; R79-F110 HydrophobicContact CB-CD1 4.07Å; R79-F110 HydrophobicContact CB-CD2 4.17Å; R79-F110 HydrophobicContact CB-CE1 4.04Å; R79-F110 HydrophobicContact CB-CE2 4.14Å; R79-F110 HydrophobicContact CB-CG 4.13Å; R79-F110 HydrophobicContact CB-CZ 4.07Å; R79-F110 VanDerWaalsContact O-CZ 3.31Å; R79-F110 WeakPolarHBondContact O-CZ 3.41Å
80V95.9Very high94.3Very high0 Ų062 Ų620%030%0.299CS..EExtended strand (participates in β ladder)trans-136.4131.6176.7-173.80000108.9T22 I23 L25 L64 F67 P77 V82 F104T22-V80 CarbonylContact C-O 3.57Å; T22-V80 WeakPolarHBondContact CA-O 3.43Å; I23-V80 PolarHBondContact N-O 3.38Å; I23-V80 PolarHBondContact O-N 3.33Å; L25-V80 HydrophobicContact CD1-CB 4.41Å; L25-V80 HydrophobicContact CD1-CG2 3.37Å; L25-V80 HydrophobicContact CG-CG2 4.1Å; L64-V80 HydrophobicContact CD1-CG1 3.73Å; F67-V80 HydrophobicContact CD1-CG1 3.84Å; F67-V80 HydrophobicContact CD1-CG2 4.2Å; F67-V80 HydrophobicContact CE1-CB 4.34Å; F67-V80 HydrophobicContact CE1-CG1 3.86Å; F67-V80 HydrophobicContact CE1-CG2 3.86Å; P77-V80 HydrophobicContact CB-CG2 4.15Å; V80-V82 HydrophobicContact CB-CG1 4.47Å; V80-V82 HydrophobicContact CG1-CG1 3.84Å; V80-F104 HydrophobicContact CG1-CD2 3.99Å; V80-F104 HydrophobicContact CG1-CE2 4.2Å
81R96.3Very high93.8Very high3 Ų362.8 Ų62.81%0.01130%0.297CS..EExtended strand (participates in β ladder)trans-87.1121.3170.5-170.675.2177.6178.3-2.4107.9E20 Y21 T22 V105 C107 F110 K113 Q114E20-R81 VanDerWaalsContact CB-NH2 3.32Å; E20-R81 IonicContact OE2-CZ 2.74Å; E20-R81 IonicContact OE2-NE 3.36Å; E20-R81 PolarHBondContact OE2-NE 3.11Å; E20-R81 IonicContact OE2-NH2 3.11Å; E20-R81 PolarHBondContact OE2-NH2 3.12Å; Y21-R81 WeakPolarHBondContact O-CA 3.5Å; T22-R81 WeakPolarHBondContact OG1-CD 3.34Å; T22-R81 PolarHBondContact OG1-NH1 3.25Å; R81-V105 HydrophobicContact CB-CB 4.2Å; R81-V105 HydrophobicContact CG-CB 3.75Å; R81-V105 HydrophobicContact CG-CG1 3.97Å; R81-V105 HydrophobicContact CG-CG2 4.49Å; R81-V105 PolarHBondContact O-N 2.74Å; R81-C107 HydrophobicContact CB-CB 3.86Å; R81-C107 HydrophobicContact CG-CB 4.34Å; R81-F110 HydrophobicContact CB-CE1 4.19Å; R81-K113 PolarHBondContact NH1-O 2.93Å; R81-Q114 PolarHBondContact NH1-O 3.23Å; R81-Q114 PolarHBondContact NH2-O 3.15Å
82V96.6Very high93Very high0 Ų060.9 Ų60.90%031%0.307CS..EExtended strand (participates in β ladder)trans-124.2144.8-179-61.50000110E20 Y21 I23 L64 V80 L84 V102 T103E20-V82 CarbonylContact C-O 3.59Å; E20-V82 VanDerWaalsContact CA-O 3.31Å; E20-V82 WeakPolarHBondContact CA-O 3.38Å; Y21-V82 PolarHBondContact N-O 3.5Å; Y21-V82 PolarHBondContact O-N 2.92Å; I23-V82 HydrophobicContact CD1-CG1 4.2Å; I23-V82 HydrophobicContact CD1-CG2 3.58Å; I23-V82 HydrophobicContact CG1-CG2 3.86Å; L64-V82 HydrophobicContact CD1-CG1 3.86Å; L64-V82 HydrophobicContact CD2-CG1 3.96Å; V80-V82 HydrophobicContact CB-CG1 4.47Å; V80-V82 HydrophobicContact CG1-CG1 3.84Å; V82-L84 HydrophobicContact CG2-CG 4.46Å; V82-V102 HydrophobicContact CB-CG1 4.03Å; V82-V102 HydrophobicContact CG1-CG1 4.22Å; V82-T103 CarbonylContact C-O 3.53Å; V82-T103 VanDerWaalsContact CA-O 3.29Å; V82-T103 WeakPolarHBondContact CA-O 3.29Å
83R96Very high92.6Very high93 Ų9366.4 Ų66.435%0.35133%0.329SS..EExtended strand (participates in β ladder)trans-101.7120.3166.7-177179.2-64.5178-0.3107.8T18 E20 V102 T103 V105T18-R83 HydrophobicContact CG2-CG 3.52Å; E20-R83 HydrophobicContact CG-CB 3.97Å; E20-R83 HydrophobicContact CG-CG 4.11Å; E20-R83 IonicContact OE1-CZ 2.7Å; E20-R83 IonicContact OE1-NE 3.01Å; E20-R83 PolarHBondContact OE1-NE 3.41Å; E20-R83 VanDerWaalsContact OE1-NE 3.11Å; E20-R83 IonicContact OE1-NH2 3.06Å; E20-R83 PolarHBondContact OE1-NH2 3.26Å; R83-V102 WeakPolarHBondContact O-CA 3.25Å; R83-T103 WeakPolarHBondContact CB-OG1 3.31Å; R83-T103 PolarHBondContact N-O 3.14Å; R83-T103 PolarHBondContact O-N 2.96Å; R83-V105 HydrophobicContact CB-CG2 3.64Å
84L95.9Very high92Very high0 Ų065.6 Ų65.60%033%0.325CS..EExtended strand (participates in β ladder)trans-97.6116.4172.6-64.8-176.9000107.5T18 R19 Y21 F48 A49 M52 M53 V82 T100 V102T18-L84 CarbonylContact C-O 3.58Å; T18-L84 VanDerWaalsContact CA-O 3.31Å; T18-L84 WeakPolarHBondContact CA-O 3.44Å; R19-L84 PolarHBondContact N-O 3.28Å; R19-L84 PolarHBondContact O-N 2.88Å; Y21-L84 HydrophobicContact CD2-CB 4.3Å; Y21-L84 HydrophobicContact CD2-CD1 3.55Å; Y21-L84 HydrophobicContact CD2-CG 3.92Å; Y21-L84 HydrophobicContact CE2-CB 4.43Å; Y21-L84 HydrophobicContact CE2-CD1 3.77Å; Y21-L84 HydrophobicContact CE2-CG 4.37Å; Y21-L84 HydrophobicContact CG-CD1 4.48Å; F48-L84 HydrophobicContact CD1-CD1 4.24Å; F48-L84 HydrophobicContact CE1-CD1 4.11Å; A49-L84 HydrophobicContact CB-CD1 4.35Å; A49-L84 HydrophobicContact CB-CD2 3.67Å; M52-L84 HydrophobicContact CB-CD1 3.95Å; M53-L84 HydrophobicContact CE-CB 3.31Å; M53-L84 HydrophobicContact CE-CD1 4.35Å; M53-L84 HydrophobicContact CE-CG 4.46Å; M53-L84 WeakPolarHBondContact CE-O 3.49Å; M53-L84 HydrophobicContact CG-CB 4.23Å; M53-L84 HydrophobicContact CG-CD1 4.37Å; V82-L84 HydrophobicContact CG2-CG 4.46Å; L84-T100 HydrophobicContact CB-CG2 4.31Å; L84-T100 HydrophobicContact CD2-CG2 4.12Å; L84-V102 HydrophobicContact CD2-CB 3.98Å; L84-V102 HydrophobicContact CD2-CG1 3.65Å; L84-V102 HydrophobicContact CD2-CG2 3.49Å; L84-V102 VanDerWaalsContact CD2-CG2 3.49Å
85A94.4Very high91.7Very high9 Ų967.1 Ų67.17%0.07434%0.342CS..EExtended strand (participates in β ladder)trans-113.7112.6174.800000109.1T18 K87 T100 L101T18-A85 HydrophobicContact CG2-CB 4.04Å; T18-A85 WeakPolarHBondContact OG1-CB 3.44Å; A85-K87 HydrophobicContact CB-CG 4.46Å; A85-T100 CarbonylContact O-C 3.57Å; A85-T100 WeakPolarHBondContact O-CA 3.48Å; A85-L101 PolarHBondContact N-O 3.4Å; A85-L101 PolarHBondContact O-N 3.46Å
86R93.3Very high91.4Very high18 Ų1866.1 Ų66.17%0.06833%0.334CS..EExtended strand (participates in β ladder)trans-84.5109.2170.3-179.3168.972163.49.6108.6R13 G15 V16 A17 M53 T55 F98 Y99R13-R86 VanDerWaalsContact CB-NH1 3.3Å; R13-R86 VanDerWaalsContact O-CZ 3.25Å; R13-R86 PolarHBondContact O-NH1 2.82Å; R13-R86 PolarHBondContact O-NH2 2.99Å; G15-R86 VanDerWaalsContact N-NH2 3.1Å; G15-R86 PolarHBondContact O-NE 3.41Å; G15-R86 PolarHBondContact O-NH2 2.83Å; V16-R86 WeakPolarHBondContact CA-O 3.45Å; V16-R86 WeakPolarHBondContact CG1-O 3.33Å; A17-R86 PolarHBondContact N-O 2.83Å; A17-R86 PolarHBondContact O-N 3.06Å; M53-R86 HydrophobicContact CG-CB 4.45Å; M53-R86 PolarHBondContact O-NH1 3.04Å; M53-R86 HydrophobicContact SD-CB 4.2Å; T55-R86 HydrophobicContact CG2-CG 3.93Å; R86-F98 HydrophobicContact CG-CB 4.03Å; R86-F98 HydrophobicContact CG-CD1 4.26Å; R86-F98 HydrophobicContact CG-CG 4.33Å; R86-Y99 WeakPolarHBondContact CA-O 3.44Å
87K91.9Very high91.1Very high78 Ų7873.6 Ų73.634%0.33937%0.366SS..EExtended strand (participates in β ladder)trans-111.4150.6-178.7-66.7-170.1173.4-159.90110.4A85 F98 Y99A85-K87 HydrophobicContact CB-CG 4.46Å; K87-F98 WeakPolarHBondContact O-CA 3.29Å; K87-Y99 HydrophobicContact CB-CD1 4.36Å; K87-Y99 HydrophobicContact CB-CE1 3.73Å; K87-Y99 HydrophobicContact CB-CE2 4.23Å; K87-Y99 PolarHBondContact N-O 3.11Å; K87-Y99 PolarHBondContact O-N 3.48Å
88A90.3Very high90.9Very high48 Ų4875.1 Ų75.140%0.39737%0.371SS..EExtended strand (participates in β ladder)trans-70.5136.4170.500000109.1F98 Y99A88-F98 HydrophobicContact CB-CD1 4.32Å; A88-F98 HydrophobicContact CB-CE1 4.25Å; A88-Y99 WeakPolarHBondContact O-CE1 3.31Å
89N89.5Confident90.8Very high32 Ų3269.9 Ų69.917%0.17135%0.351CS..  trans-74.9132.7172.6-157-11.8000109.2D91 S94 K97 Y99N89-D91 WeakPolarHBondContact OD1-CB 3.42Å; N89-D91 PolarHBondContact OD1-N 3.41Å; N89-D91 VanDerWaalsContact OD1-N 3.1Å; N89-S94 WeakPolarHBondContact ND2-CB 3.47Å; N89-S94 PolarHBondContact ND2-OG 2.88Å; N89-K97 PolarHBondContact N-O 3.27Å; N89-Y99 HydrophobicContact CB-CD1 4.07Å
90K86.4Confident90.8Very high210 Ų21064.4 Ų64.491%0.91333%0.33SS*.  trans-90.7-15.1175-64.7-173.8178.3-174.90112
91D86.2Confident90.8Very high91 Ų9166.8 Ų66.849%0.48734%0.342SS..  trans-79.5123.1-179.9-1724.1000110.6N89 D93 S94N89-D91 WeakPolarHBondContact OD1-CB 3.42Å; N89-D91 PolarHBondContact OD1-N 3.41Å; N89-D91 VanDerWaalsContact OD1-N 3.1Å; D91-D93 VanDerWaalsContact C-N 3.28Å; D91-D93 PolarHBondContact O-N 3.23Å; D91-D93 PolarHBondContact OD1-N 3.46Å; D91-S94 PolarHBondContact O-N 3.08Å
92A78.4Confident90.8Very high100 Ų10066.6 Ų66.683%0.82634%0.342SS*.THydrogen-bonded Turntrans-69.6-26.5-177.700000112.3S94A92-S94 VanDerWaalsContact C-N 3.26Å; A92-S94 PolarHBondContact O-N 3.34Å
93D86Confident90.8Very high149 Ų14968.9 Ų68.980%0.79736%0.356SS*.THydrogen-bonded Turntrans-81.3-5.6-177.2-64.9-39.4000113.1D91 I95D91-D93 VanDerWaalsContact C-N 3.28Å; D91-D93 PolarHBondContact O-N 3.23Å; D91-D93 PolarHBondContact OD1-N 3.46Å; D93-I95 PolarHBondContact O-N 2.88Å
94S83.6Confident90.8Very high35 Ų3566.1 Ų66.125%0.24535%0.346CS..  trans-79120-179.3171.70000112.4N89 D91 A92 H96N89-S94 WeakPolarHBondContact ND2-CB 3.47Å; N89-S94 PolarHBondContact ND2-OG 2.88Å; D91-S94 PolarHBondContact O-N 3.08Å; A92-S94 VanDerWaalsContact C-N 3.26Å; A92-S94 PolarHBondContact O-N 3.34Å; S94-H96 PolarHBondContact O-N 3.28Å; S94-H96 PolarHBondContact OG-N 2.68Å; S94-H96 PolarHBondContact OG-O 3.46Å
95I88.9Confident90.8Very high162 Ų16267.1 Ų67.183%0.83135%0.352SS*.SBendtrans-52.2-32.3172.7-56.7166.8000111.9D93D93-I95 PolarHBondContact O-N 2.88Å
96H88.1Confident90.8Very high72 Ų7271 Ų7133%0.33338%0.377SS..  trans-103.8127.6-177.4-56.8-51.1000112.6E56 S94 F98E56-H96 WeakPolarHBondContact CB-NE2 3.45Å; E56-H96 WeakPolarHBondContact CG-NE2 3.41Å; S94-H96 PolarHBondContact O-N 3.28Å; S94-H96 PolarHBondContact OG-N 2.68Å; S94-H96 PolarHBondContact OG-O 3.46Å; H96-F98 VanDerWaalsContact C-N 3.31Å; H96-F98 PolarHBondContact O-N 3.46Å
97K88.5Confident90.6Very high162 Ų16271.9 Ų71.970%0.70439%0.385SS*.SBendtrans-63-31.8176.3-176.2172.6-176.2170.50114N89N89-K97 PolarHBondContact N-O 3.27Å
98F92Very high90.5Very high49 Ų4974.2 Ų74.222%0.21541%0.406CS..EExtended strand (participates in β ladder)trans-126.2141.1-178.4-63.2-77.5000110.4T55 R86 K87 A88 H96T55-F98 HydrophobicContact CG2-CB 3.91Å; R86-F98 HydrophobicContact CG-CB 4.03Å; R86-F98 HydrophobicContact CG-CD1 4.26Å; R86-F98 HydrophobicContact CG-CG 4.33Å; K87-F98 WeakPolarHBondContact O-CA 3.29Å; A88-F98 HydrophobicContact CB-CD1 4.32Å; A88-F98 HydrophobicContact CB-CE1 4.25Å; H96-F98 VanDerWaalsContact C-N 3.31Å; H96-F98 PolarHBondContact O-N 3.46Å
99Y93.6Very high90.6Very high42 Ų4276.8 Ų76.817%0.16541%0.413CS..EExtended strand (participates in β ladder)trans-118.3158.9167.770.7-82.8000109.9D57 R59 R86 K87 A88 N89 L101D57-Y99 CarbonylContact O-C 3.6Å; D57-Y99 WeakPolarHBondContact O-CA 3.41Å; D57-Y99 VanDerWaalsContact OD2-CB 3.31Å; D57-Y99 WeakPolarHBondContact OD2-CB 3.13Å; R59-Y99 HydrophobicContact CG-CD2 4.34Å; R86-Y99 WeakPolarHBondContact CA-O 3.44Å; K87-Y99 HydrophobicContact CB-CD1 4.36Å; K87-Y99 HydrophobicContact CB-CE1 3.73Å; K87-Y99 HydrophobicContact CB-CE2 4.23Å; K87-Y99 PolarHBondContact N-O 3.11Å; K87-Y99 PolarHBondContact O-N 3.48Å; A88-Y99 WeakPolarHBondContact O-CE1 3.31Å; N89-Y99 HydrophobicContact CB-CD1 4.07Å; Y99-L101 HydrophobicContact CE2-CB 4.23Å
100T94.9Very high90.7Very high0 Ų078 Ų780%042%0.417CS..EExtended strand (participates in β ladder)trans-113.5118.7173.5-65.10000110.7A49 M53 T55 D57 V58 R59 L84 A85 V102A49-T100 HydrophobicContact CB-CG2 4.32Å; M53-T100 HydrophobicContact CB-CG2 4.29Å; M53-T100 WeakPolarHBondContact CB-OG1 3.19Å; M53-T100 HydrophobicContact CG-CG2 3.84Å; T55-T100 WeakPolarHBondContact CB-OG1 3.28Å; T55-T100 WeakPolarHBondContact OG1-CB 3.36Å; T55-T100 PolarHBondContact OG1-OG1 3.41Å; D57-T100 PolarHBondContact O-N 3.42Å; V58-T100 WeakPolarHBondContact CA-O 3.3Å; R59-T100 PolarHBondContact N-O 2.97Å; L84-T100 HydrophobicContact CB-CG2 4.31Å; L84-T100 HydrophobicContact CD2-CG2 4.12Å; A85-T100 CarbonylContact O-C 3.57Å; A85-T100 WeakPolarHBondContact O-CA 3.48Å; T100-V102 HydrophobicContact CG2-CG2 4.38Å
101L95.5Very high91Very high49 Ų4977.4 Ų77.426%0.25741%0.414SS..EExtended strand (participates in β ladder)trans-89.9122.4170.5-175.965.7000109.1R59 A85 Y99 T103R59-L101 HydrophobicContact CB-CD1 4.2Å; A85-L101 PolarHBondContact N-O 3.4Å; A85-L101 PolarHBondContact O-N 3.46Å; Y99-L101 HydrophobicContact CE2-CB 4.23Å; L101-T103 HydrophobicContact CD2-CG2 3.98Å; L101-T103 HydrophobicContact CG-CG2 3.9Å
102V97Very high91.2Very high0 Ų076.5 Ų76.50%043%0.426CS..EExtended strand (participates in β ladder)trans-102.3112176.4-168.60000108.5I45 A49 V58 R59 G61 L64 V82 R83 L84 T100I45-V102 HydrophobicContact CG2-CG1 3.93Å; A49-V102 HydrophobicContact CB-CG2 3.84Å; V58-V102 HydrophobicContact CG1-CG2 3.64Å; R59-V102 PolarHBondContact O-N 3.1Å; G61-V102 PolarHBondContact N-O 2.9Å; L64-V102 HydrophobicContact CD2-CB 4.02Å; L64-V102 HydrophobicContact CD2-CG1 3.29Å; V82-V102 HydrophobicContact CB-CG1 4.03Å; V82-V102 HydrophobicContact CG1-CG1 4.22Å; R83-V102 WeakPolarHBondContact O-CA 3.25Å; L84-V102 HydrophobicContact CD2-CB 3.98Å; L84-V102 HydrophobicContact CD2-CG1 3.65Å; L84-V102 HydrophobicContact CD2-CG2 3.49Å; L84-V102 VanDerWaalsContact CD2-CG2 3.49Å; T100-V102 HydrophobicContact CG2-CG2 4.38Å
103T97.1Very high91.8Very high48 Ų4876.7 Ų76.729%0.29441%0.408SS..EExtended strand (participates in β ladder)trans-111.5154.2176.960.40000111.6V82 R83 L101V82-T103 CarbonylContact C-O 3.53Å; V82-T103 VanDerWaalsContact CA-O 3.29Å; V82-T103 WeakPolarHBondContact CA-O 3.29Å; R83-T103 WeakPolarHBondContact CB-OG1 3.31Å; R83-T103 PolarHBondContact N-O 3.14Å; R83-T103 PolarHBondContact O-N 2.96Å; L101-T103 HydrophobicContact CD2-CG2 3.98Å; L101-T103 HydrophobicContact CG-CG2 3.9Å
104F96.5Very high92.1Very high35 Ų3577 Ų7715%0.15441%0.405CS..EExtended strand (participates in β ladder)trans-80.3133.4175.3174.5-118.4000110R63 L64 F67 V80 P106R63-F104 HydrophobicContact CB-CB 4.44Å; L64-F104 HydrophobicContact CB-CB 3.95Å; L64-F104 HydrophobicContact CD1-CB 4.1Å; L64-F104 HydrophobicContact CD1-CD2 4.27Å; F67-F104 HydrophobicContact CB-CD2 4.22Å; F67-F104 HydrophobicContact CB-CE2 4.28Å; F67-F104 HydrophobicContact CB-CG 4.34Å; F67-F104 HydrophobicContact CB-CZ 4.43Å; F67-F104 AromaticContact CD1-CD2 3.74Å; F67-F104 HydrophobicContact CD1-CD2 3.74Å; F67-F104 AromaticContact CD1-CE2 3.34Å; F67-F104 HydrophobicContact CD1-CE2 3.34Å; F67-F104 AromaticContact CD1-CZ 3.96Å; F67-F104 HydrophobicContact CD1-CZ 3.96Å; F67-F104 HydrophobicContact CD2-CE1 4.14Å; F67-F104 AromaticContact CD2-CE2 3.89Å; F67-F104 HydrophobicContact CD2-CE2 3.89Å; F67-F104 AromaticContact CD2-CZ 3.59Å; F67-F104 HydrophobicContact CD2-CZ 3.59Å; F67-F104 HydrophobicContact CE1-CD2 4.25Å; F67-F104 AromaticContact CE1-CE2 3.47Å; F67-F104 HydrophobicContact CE1-CE2 3.47Å; F67-F104 VanDerWaalsContact CE1-CE2 3.47Å; F67-F104 HydrophobicContact CE1-CZ 4.05Å; F67-F104 HydrophobicContact CE2-CE2 4.01Å; F67-F104 AromaticContact CE2-CZ 3.7Å; F67-F104 HydrophobicContact CE2-CZ 3.7Å; F67-F104 AromaticContact CG-CD2 3.95Å; F67-F104 HydrophobicContact CG-CD2 3.95Å; F67-F104 HydrophobicContact CG-CE1 4.27Å; F67-F104 AromaticContact CG-CE2 3.56Å; F67-F104 HydrophobicContact CG-CE2 3.56Å; F67-F104 HydrophobicContact CG-CG 4.46Å; F67-F104 AromaticContact CG-CZ 3.73Å; F67-F104 HydrophobicContact CG-CZ 3.73Å; F67-F104 AromaticContact CZ-CE2 3.81Å; F67-F104 HydrophobicContact CZ-CE2 3.81Å; F67-F104 AromaticContact CZ-CZ 3.93Å; F67-F104 HydrophobicContact CZ-CZ 3.93Å; V80-F104 HydrophobicContact CG1-CD2 3.99Å; V80-F104 HydrophobicContact CG1-CE2 4.2Å; F104-P106 HydrophobicContact CE1-CB 4.05Å; F104-P106 HydrophobicContact CZ-CB 4.46Å
105V95Very high92.6Very high21 Ų2180.2 Ų80.213%0.12742%0.419CS..  trans-107.9114.6170.4178.60000107E20 R81 R83 C107E20-V105 HydrophobicContact CG-CG2 4.19Å; R81-V105 HydrophobicContact CB-CB 4.2Å; R81-V105 HydrophobicContact CG-CB 3.75Å; R81-V105 HydrophobicContact CG-CG1 3.97Å; R81-V105 HydrophobicContact CG-CG2 4.49Å; R81-V105 PolarHBondContact O-N 2.74Å; R83-V105 HydrophobicContact CB-CG2 3.64Å; V105-C107 PolarHBondContact O-N 3.25Å
106P93.6Very high92.8Very high90 Ų9076.1 Ų76.158%0.58440%0.398SS*.  trans-61.3127.3175.126.5-32.6000108.9F104F104-P106 HydrophobicContact CE1-CB 4.05Å; F104-P106 HydrophobicContact CZ-CB 4.46Å
107C90Very high92.9Very high36 Ų3678.2 Ų78.224%0.24341%0.411CS..  trans-145.9121.7-176.8-166.50000107.9R81 V105 D109R81-C107 HydrophobicContact CB-CB 3.86Å; R81-C107 HydrophobicContact CG-CB 4.34Å; V105-C107 PolarHBondContact O-N 3.25Å; C107-D109 PolarHBondContact SG-O 3.01Å
108T89.6Confident92.9Very high127 Ų12772 Ų7278%0.77939%0.387SS*.SBendtrans-73.5-45.717553.70000110.1
109D92.4Very high92.4Very high103 Ų10378.5 Ų78.555%0.55142%0.418SS*.  trans-122.8124.5-170.5-63-76.1000112.9C107 K113C107-D109 PolarHBondContact SG-O 3.01Å; D109-K113 WeakPolarHBondContact O-CE 3.33Å; D109-K113 WeakPolarHBondContact O-CG 3.32Å
110F92.2Very high91.1Very high58 Ų5879.3 Ų79.325%0.25443%0.429SS..  trans-89.2-6.4176.9-61.1-76.3000113.8T22 R79 R81 G112 K113T22-F110 HydrophobicContact CG2-CD1 3.63Å; T22-F110 HydrophobicContact CG2-CE1 4.21Å; T22-F110 HydrophobicContact CG2-CG 4.46Å; R79-F110 HydrophobicContact CB-CD1 4.07Å; R79-F110 HydrophobicContact CB-CD2 4.17Å; R79-F110 HydrophobicContact CB-CE1 4.04Å; R79-F110 HydrophobicContact CB-CE2 4.14Å; R79-F110 HydrophobicContact CB-CG 4.13Å; R79-F110 HydrophobicContact CB-CZ 4.07Å; R79-F110 VanDerWaalsContact O-CZ 3.31Å; R79-F110 WeakPolarHBondContact O-CZ 3.41Å; R81-F110 HydrophobicContact CB-CE1 4.19Å; F110-G112 PolarHBondContact O-N 3.41Å; F110-K113 PolarHBondContact O-N 2.91Å
111K92Very high89.2Confident197 Ų19784 Ų8486%0.85747%0.469SS*.THydrogen-bonded Turntrans-67.4130-176.6-169.4176.1179.4-177.70109.8K113K111-K113 PolarHBondContact O-N 3.47Å
112G90.4Very high86.6Confident71 Ų7193.8 Ų93.873%0.73251%0.513SS*.THydrogen-bonded Turntrans68.30.4178.800000116.1F110 Q114F110-G112 PolarHBondContact O-N 3.41Å; G112-Q114 PolarHBondContact O-N 2.97Å
113K90.8Very high86.1Confident104 Ų10498.5 Ų98.545%0.45254%0.539SS..  trans-73.491.7-179.4-64.2-64.3-174.9-179.10111R81 D109 F110 K111R81-K113 PolarHBondContact NH1-O 2.93Å; D109-K113 WeakPolarHBondContact O-CE 3.33Å; D109-K113 WeakPolarHBondContact O-CG 3.32Å; F110-K113 PolarHBondContact O-N 2.91Å; K111-K113 PolarHBondContact O-N 3.47Å
114Q92.1Very high85.5Confident155 Ų155101.2 Ų101.272%0.72455%0.551SS**  trans-73.3177.7173.7-61.4-172.18.300111.8R81 G112 I116R81-Q114 PolarHBondContact NH1-O 3.23Å; R81-Q114 PolarHBondContact NH2-O 3.15Å; G112-Q114 PolarHBondContact O-N 2.97Å; Q114-I116 PolarHBondContact O-N 2.83Å
115I94.3Very high84.9Confident104 Ų104104.8 Ų104.853%0.53357%0.574SS.*  trans-72.6124.3173.7-59.7162.4000107.4E20 Y21E20-I115 WeakPolarHBondContact O-CA 3.43Å; Y21-I115 HydrophobicContact CD1-CB 4.41Å; Y21-I115 HydrophobicContact CD1-CD1 4.04Å; Y21-I115 HydrophobicContact CD1-CG1 3.69Å; Y21-I115 HydrophobicContact CD1-CG2 3.93Å; Y21-I115 HydrophobicContact CE1-CB 4.2Å; Y21-I115 HydrophobicContact CE1-CD1 3.69Å; Y21-I115 HydrophobicContact CE1-CG1 3.7Å; Y21-I115 HydrophobicContact CE1-CG2 3.41Å; Y21-I115 VanDerWaalsContact CE1-CG2 3.41Å
116I92.5Very high84.3Confident76 Ų76109.8 Ų109.839%0.3960%0.6SS.*EExtended strand (participates in β ladder)trans-114.2130.4-178.5-61.1171.8000108.1R19 E20 Q114 V118R19-I116 CarbonylContact C-O 3.58Å; R19-I116 VanDerWaalsContact CA-O 3.29Å; R19-I116 WeakPolarHBondContact CA-O 3.42Å; E20-I116 HydrophobicContact CB-CB 4.49Å; E20-I116 PolarHBondContact N-O 2.64Å; E20-I116 PolarHBondContact O-N 2.65Å; Q114-I116 PolarHBondContact O-N 2.83Å; I116-V118 HydrophobicContact CG2-CG2 4.19Å
117N91.3Very high83.7Confident116 Ų116111 Ų11162%0.6260%0.601SS**EExtended strand (participates in β ladder)trans-77.4124.7165.6-66.4-28.8000107.2R19R19-N117 WeakPolarHBondContact CG-OD1 3.33Å; R19-N117 PolarHBondContact NE-OD1 3.06Å
118V89Confident83.3Confident31 Ų31116 Ų11619%0.18863%0.625CS.*  trans-108.3123.8179.2176.20000107.1T18 E20 I116 S120T18-V118 WeakPolarHBondContact CB-O 3.49Å; T18-V118 HydrophobicContact CG2-CB 4.1Å; T18-V118 HydrophobicContact CG2-CG1 4.42Å; T18-V118 PolarHBondContact O-N 3.06Å; E20-V118 HydrophobicContact CB-CG2 4.44Å; E20-V118 HydrophobicContact CG-CG2 3.67Å; I116-V118 HydrophobicContact CG2-CG2 4.19Å; V118-S120 PolarHBondContact O-N 3.47Å
119E81.6Confident82.8Confident186 Ų186115.2 Ų115.287%0.86961%0.614SS**  trans-65.9128.2170.1-65.3-178.9171.100107.9A121E119-A121 PolarHBondContact O-N 3.47Å
120S65.9Low82.1Confident58 Ų58116.2 Ų116.241%0.40662%0.618SS.*  trans-78.9110.4176.2-53.40000106T18 V118 E122T18-S120 VanDerWaalsContact CB-OG 3.3Å; T18-S120 WeakPolarHBondContact CB-OG 3.46Å; T18-S120 PolarHBondContact OG1-OG 3Å; V118-S120 PolarHBondContact O-N 3.47Å; S120-E122 PolarHBondContact O-N 3.12Å
121A55.3Low81.2Confident100 Ų100121 Ų12183%0.82665%0.649SS**  trans-58126.4155.500000106E119E119-A121 PolarHBondContact O-N 3.47Å
122E39.7Very low80.3Confident254 Ų254114.1 Ų114.1100%1.18763%0.63SS**  trans-44.50-165.9-62178.1132.800114.5S120S120-E122 PolarHBondContact O-N 3.12Å

Retrieved 122 of 122 residues in 74 ms (Link to these results)

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