A0A3B5PXS3_XIPMA Loading...

Family with sequence similarity 72 member D

AlphaFold DB , UniProt , Accession A0A3B5PXS3, Species XIPMA (Xiphophorus maculatus, Southern platyfish), Gene n/a, Length 149 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
1M30.6Very low63Low241 Ų241109.5 Ų109.5100%1.18762%0.621SS**  092.60-75.6178.7169.100107.4
2S35.3Very low65.8Low119 Ų119103.8 Ų103.883%0.83259%0.593SS**  trans-10583.8-172.439.40000109.9
3T37.6Very low68.3Low137 Ų13795.8 Ų95.884%0.8455%0.547SS*.  trans-109.279.9176.150.90000109.6
4S45.6Very low70.4Confident47 Ų4789.1 Ų89.133%0.32951%0.509SS..  trans-155.8-18.5169.5610000115.7A6 S7S4-A6 VanDerWaalsContact C-N 3.29Å; S4-A6 PolarHBondContact O-N 3.07Å; S4-S7 PolarHBondContact O-N 3.17Å
5N50.4Low72.2Confident122 Ų12287.2 Ų87.265%0.65249%0.494SS*.THydrogen-bonded Turntrans-69.9-18-177.4-86.8-7.5000115.4S7N5-S7 VanDerWaalsContact C-N 3.3Å; N5-S7 PolarHBondContact O-N 3.39Å
6A54.1Low73.9Confident80 Ų8081.8 Ų81.866%0.66146%0.463SS*.THydrogen-bonded Turntrans-70.5-25.8-179.600000113.2S4S4-A6 VanDerWaalsContact C-N 3.29Å; S4-A6 PolarHBondContact O-N 3.07Å
7S73.6Confident75.3Confident78 Ų7878.4 Ų78.455%0.54544%0.443SS..THydrogen-bonded Turntrans-73.5-31.7-173.8-171.50000113.2S4 N5S4-S7 PolarHBondContact O-N 3.17Å; N5-S7 VanDerWaalsContact C-N 3.3Å; N5-S7 PolarHBondContact O-N 3.39Å
8F87.3Confident76.6Confident38 Ų3874.1 Ų74.117%0.16742%0.419CS..THydrogen-bonded Turntrans-87.2-15.8-173-58-69.2000113.9N10 K11 M30 N97 N98 W125F8-N10 PolarHBondContact O-N 3.27Å; F8-K11 HydrophobicContact CD1-CG 4.49Å; F8-K11 VanDerWaalsContact O-CB 3.29Å; F8-K11 WeakPolarHBondContact O-CB 3.36Å; F8-K11 WeakPolarHBondContact O-CG 3.3Å; F8-K11 PolarHBondContact O-N 2.8Å; F8-M30 HydrophobicContact CB-CE 4.02Å; F8-M30 HydrophobicContact CB-SD 4.28Å; F8-M30 HydrophobicContact CD1-SD 4Å; F8-M30 HydrophobicContact CG-SD 4.43Å; F8-N97 WeakPolarHBondContact CE2-O 3.4Å; F8-N98 HydrophobicContact CD1-CB 4.08Å; F8-N98 HydrophobicContact CD2-CB 4.16Å; F8-N98 HydrophobicContact CE1-CB 4.04Å; F8-N98 HydrophobicContact CE2-CB 4.12Å; F8-N98 HydrophobicContact CG-CB 4.15Å; F8-N98 HydrophobicContact CZ-CB 4.06Å; F8-W125 WeakPolarHBondContact O-CB 3.08Å
9K90.7Very high77.8Confident119 Ų11974.1 Ų74.152%0.51742%0.417SS..THydrogen-bonded Turntrans-59.3-33.6-179.1-67.6-168.2176-164.60113.6K11 W125 G126K9-K11 VanDerWaalsContact C-N 3.27Å; K9-K11 PolarHBondContact O-N 2.69Å; K9-W125 PolarHBondContact O-N 3.31Å; K9-G126 PolarHBondContact O-N 2.57Å
10N93.3Very high78.8Confident126 Ų12675.4 Ų75.467%0.67442%0.418SS*.THydrogen-bonded Turntrans-86.74.7-178.8-61.7-18.3000113F8F8-N10 PolarHBondContact O-N 3.27Å
11K94.8Very high79.8Confident97 Ų9773 Ų7342%0.42241%0.406SS..SBendtrans-76.4140.6176-63.3-64.1-175.5-179.40109.8F8 K9 M30 L124 W125F8-K11 HydrophobicContact CD1-CG 4.49Å; F8-K11 VanDerWaalsContact O-CB 3.29Å; F8-K11 WeakPolarHBondContact O-CB 3.36Å; F8-K11 WeakPolarHBondContact O-CG 3.3Å; F8-K11 PolarHBondContact O-N 2.8Å; K9-K11 VanDerWaalsContact C-N 3.27Å; K9-K11 PolarHBondContact O-N 2.69Å; K11-M30 HydrophobicContact CB-CG 4.18Å; K11-M30 HydrophobicContact CB-SD 4.48Å; K11-M30 HydrophobicContact CG-CG 4.47Å; K11-M30 HydrophobicContact CG-SD 4.37Å; K11-L124 CarbonylContact O-C 3.58Å; K11-L124 WeakPolarHBondContact O-CA 3.47Å; K11-W125 PolarHBondContact O-N 2.82Å
12C96.6Very high83Confident42 Ų4267.2 Ų67.228%0.28438%0.38SS..BIsolated β-bridgetrans-70.1140.9175-53.90000110.4L123C12-L123 WeakPolarHBondContact CA-O 3.46Å
13V97.8Very high86Confident0 Ų062.9 Ų62.90%035%0.35CS..PPolyproline II helixtrans-83.3129.6170.8-170.70000108.4R114 L123 W125 L128V13-R114 PolarHBondContact O-N 3Å; V13-L123 HydrophobicContact CB-CB 4.33Å; V13-L123 HydrophobicContact CB-CD2 4.03Å; V13-L123 HydrophobicContact CB-CG 4.09Å; V13-L123 HydrophobicContact CG1-CD2 4.3Å; V13-L123 HydrophobicContact CG2-CB 4.35Å; V13-L123 HydrophobicContact CG2-CD2 4.03Å; V13-L123 HydrophobicContact CG2-CG 3.76Å; V13-L123 PolarHBondContact N-O 2.82Å; V13-W125 HydrophobicContact CB-CE3 4.33Å; V13-W125 HydrophobicContact CB-CZ3 4.47Å; V13-W125 HydrophobicContact CG1-CE3 4.36Å; V13-W125 HydrophobicContact CG1-CZ3 4.07Å; V13-W125 HydrophobicContact CG2-CE3 3.74Å; V13-W125 HydrophobicContact CG2-CZ3 4.29Å; V13-L128 HydrophobicContact CG1-CD1 4.25Å; V13-L128 HydrophobicContact CG1-CD2 4.31Å; V13-L128 HydrophobicContact CG2-CD1 3.63Å; V13-L128 HydrophobicContact CG2-CD2 4.03Å; V13-L128 HydrophobicContact CG2-CG 3.81Å
14A97.9Very high88.9Confident1 Ų159.7 Ų59.71%0.00833%0.327CS..EExtended strand (participates in β ladder)trans-113.6146.5177.400000111.7T27 G29 L112A14-T27 CarbonylContact O-C 3.56Å; A14-G29 PolarHBondContact N-O 2.82Å; A14-G29 WeakPolarHBondContact O-CA 3.47Å; A14-G29 PolarHBondContact O-N 2.87Å; A14-L112 CarbonylContact C-O 3.5Å; A14-L112 WeakPolarHBondContact CA-O 3.44Å
15Q98.3Very high91.4Very high61 Ų6157.6 Ų57.629%0.28531%0.312SS..EExtended strand (participates in β ladder)trans-77.8138.5155.7-171.3-178.1-77.900108.5N17 L24 T111 L112 R114Q15-N17 PolarHBondContact NE2-OD1 3.4Å; Q15-L24 HydrophobicContact CG-CD1 3.28Å; Q15-T111 WeakPolarHBondContact O-CA 3.13Å; Q15-T111 WeakPolarHBondContact O-CB 3.26Å; Q15-L112 PolarHBondContact N-O 2.88Å; Q15-L112 PolarHBondContact O-N 2.62Å; Q15-R114 HydrophobicContact CB-CG 4.47Å
16V98.6Very high93.7Very high0 Ų052.5 Ų52.50%029%0.286CS..EExtended strand (participates in β ladder)trans-119128.2178.2-173.80000108.9L25 C26 F43 F104 V109 T111V16-L25 HydrophobicContact CG1-CD1 4.42Å; V16-L25 WeakPolarHBondContact O-CB 3.2Å; V16-L25 PolarHBondContact O-N 2.88Å; V16-C26 PolarHBondContact N-O 2.86Å; V16-C26 PolarHBondContact O-N 3.05Å; V16-F43 HydrophobicContact CG2-CB 4.27Å; V16-F104 HydrophobicContact CG1-CB 4.39Å; V16-F104 HydrophobicContact CG1-CD2 4.24Å; V16-F104 HydrophobicContact CG1-CG 4.19Å; V16-V109 HydrophobicContact CG1-CB 3.54Å; V16-V109 HydrophobicContact CG1-CG1 3.72Å; V16-V109 HydrophobicContact CG1-CG2 3.74Å; V16-T111 HydrophobicContact CG1-CG2 4.38Å; V16-T111 HydrophobicContact CG2-CG2 4.11Å
17N98.7Very high95.7Very high25 Ų2551.5 Ų51.513%0.13427%0.272CS..EExtended strand (participates in β ladder)trans-123.3147.3-178.4-66.977.6000110Q15 I19 D22 S23 V109 S110Q15-N17 PolarHBondContact NE2-OD1 3.4Å; N17-I19 PolarHBondContact O-N 2.87Å; N17-D22 PolarHBondContact ND2-O 3.23Å; N17-D22 VanDerWaalsContact ND2-O 3.09Å; N17-S23 CarbonylContact C-O 3.51Å; N17-S23 VanDerWaalsContact CA-O 3.28Å; N17-S23 WeakPolarHBondContact CA-O 3.35Å; N17-V109 CarbonylContact O-C 3.55Å; N17-V109 WeakPolarHBondContact O-CA 3.31Å; N17-V109 WeakPolarHBondContact O-CB 3.06Å; N17-S110 PolarHBondContact N-O 2.94Å; N17-S110 PolarHBondContact O-N 2.84Å
18C98.8Very high96.8Very high0 Ų049 Ų490%025%0.25CS..EExtended strand (participates in β ladder)trans-69.8123.8172.4175.80000110.1F20 C21 D22 S23 L25 C74 V81C18-F20 PolarHBondContact O-N 3Å; C18-C21 PolarHBondContact O-N 3.12Å; C18-C21 VanDerWaalsContact SG-SG 3.62Å; C18-D22 WeakPolarHBondContact O-CA 3.44Å; C18-D22 PolarHBondContact O-N 3.05Å; C18-S23 PolarHBondContact N-O 3.27Å; C18-L25 HydrophobicContact CB-CD1 4.05Å; C18-L25 HydrophobicContact CB-CD2 4.1Å; C18-L25 HydrophobicContact CB-CG 4.11Å; C18-C74 HydrophobicContact CB-CB 4.38Å; C18-V81 HydrophobicContact CB-CG1 4.41Å
19I98.6Very high97.3Very high74 Ų7447.1 Ų47.138%0.37924%0.242SC..THydrogen-bonded Turntrans-66.8-20.8179.965.9171.4000113.4N17 D107 A108 S110N17-I19 PolarHBondContact O-N 2.87Å; I19-D107 WeakPolarHBondContact CD1-O 3.46Å; I19-A108 PolarHBondContact N-O 3Å; I19-S110 VanDerWaalsContact CG2-N 3.33Å
20F98.6Very high97.6Very high101 Ų10141.6 Ų41.644%0.44322%0.218SC..THydrogen-bonded Turntrans-82.9-22.5-173.2-53.3-75.5000112.8C18 N79 A108C18-F20 PolarHBondContact O-N 3Å; F20-N79 HydrophobicContact CB-CB 4.4Å; F20-N79 VanDerWaalsContact CB-ND2 3.31Å; F20-N79 WeakPolarHBondContact CB-ND2 3.4Å; F20-N79 HydrophobicContact CD2-CB 3.41Å; F20-N79 VanDerWaalsContact CD2-CB 3.41Å; F20-N79 HydrophobicContact CE2-CB 3.71Å; F20-N79 HydrophobicContact CG-CB 3.88Å; F20-N79 WeakPolarHBondContact CG-ND2 3.22Å; F20-N79 HydrophobicContact CZ-CB 4.39Å; F20-A108 HydrophobicContact CE2-CB 3.99Å; F20-A108 HydrophobicContact CZ-CB 4.43Å
21C98.5Very high97.7Very high25 Ų2540.5 Ų40.517%0.16921%0.207CC..THydrogen-bonded Turntrans-150.18.9-173.970.10000115C18 S23 K76 C77C18-C21 PolarHBondContact O-N 3.12Å; C18-C21 VanDerWaalsContact SG-SG 3.62Å; C21-S23 PolarHBondContact O-N 2.85Å; C21-K76 HydrophobicContact CB-CD 4.37Å; C21-K76 PolarHBondContact O-NZ 3.44Å; C21-K76 VanDerWaalsContact O-NZ 3.07Å; C21-C77 HydrophobicContact CB-CB 3.77Å; C21-C77 VanDerWaalsContact SG-SG 3.63Å
22D98.4Very high97.6Very high119 Ų11936.8 Ų36.864%0.63620%0.195SC*.  trans57.67.4-179.4-56.9-51.7000115.9N17 C18 L24N17-D22 PolarHBondContact ND2-O 3.23Å; N17-D22 VanDerWaalsContact ND2-O 3.09Å; C18-D22 WeakPolarHBondContact O-CA 3.44Å; C18-D22 PolarHBondContact O-N 3.05Å; D22-L24 PolarHBondContact O-N 2.86Å
23S98.2Very high97.3Very high29 Ų2937.9 Ų37.920%0.20320%0.2CC..  trans-59.4137.1178.5-160.80000110.7N17 C18 C21 L25N17-S23 CarbonylContact C-O 3.51Å; N17-S23 VanDerWaalsContact CA-O 3.28Å; N17-S23 WeakPolarHBondContact CA-O 3.35Å; C18-S23 PolarHBondContact N-O 3.27Å; C21-S23 PolarHBondContact O-N 2.85Å; S23-L25 PolarHBondContact O-N 3.16Å
24L98.4Very high96.8Very high70 Ų7040.5 Ų40.537%0.36621%0.214SC..EExtended strand (participates in β ladder)trans-61.3128.2168.5179.564.1000109.4Q15 D22 C26 T27 T52Q15-L24 HydrophobicContact CG-CD1 3.28Å; D22-L24 PolarHBondContact O-N 2.86Å; L24-C26 WeakPolarHBondContact CD1-O 3.41Å; L24-T27 HydrophobicContact CD1-CG2 3.99Å; L24-T27 HydrophobicContact CD2-CG2 3.86Å; L24-T27 HydrophobicContact CG-CG2 4.41Å; L24-T52 VanDerWaalsContact O-CG2 3.31Å; L24-T52 WeakPolarHBondContact O-CG2 3.4Å
25L98.5Very high96.1Very high3 Ų344.8 Ų44.82%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-101.8-49.5174.8-61.6179.1000110.7V16 C18 S23 T52 V53 C74 V81 F104 V109V16-L25 HydrophobicContact CG1-CD1 4.42Å; V16-L25 WeakPolarHBondContact O-CB 3.2Å; V16-L25 PolarHBondContact O-N 2.88Å; C18-L25 HydrophobicContact CB-CD1 4.05Å; C18-L25 HydrophobicContact CB-CD2 4.1Å; C18-L25 HydrophobicContact CB-CG 4.11Å; S23-L25 PolarHBondContact O-N 3.16Å; L25-T52 WeakPolarHBondContact O-CB 3.37Å; L25-T52 PolarHBondContact O-OG1 3.47Å; L25-V53 HydrophobicContact CD2-CG1 3.83Å; L25-C74 HydrophobicContact CD2-CB 4.17Å; L25-V81 HydrophobicContact CD1-CB 4.02Å; L25-V81 HydrophobicContact CD1-CG1 4.11Å; L25-V81 HydrophobicContact CD1-CG2 4.07Å; L25-F104 HydrophobicContact CB-CE1 4.01Å; L25-F104 HydrophobicContact CB-CZ 4.26Å; L25-F104 HydrophobicContact CD1-CD1 4.01Å; L25-F104 HydrophobicContact CD1-CE1 4.04Å; L25-V109 HydrophobicContact CD1-CG1 3.68Å
26C97.8Very high95.4Very high14 Ų1445.1 Ų45.110%0.09525%0.249CC..EExtended strand (participates in β ladder)trans-153.2161.9171.575.20000111.8V16 L24 F104V16-C26 PolarHBondContact N-O 2.86Å; V16-C26 PolarHBondContact O-N 3.05Å; L24-C26 WeakPolarHBondContact CD1-O 3.41Å; C26-F104 HydrophobicContact CB-CE2 4.45Å; C26-F104 HydrophobicContact CB-CZ 4.49Å
27T96.9Very high94.6Very high59 Ų5948.8 Ų48.836%0.36227%0.269SS..EExtended strand (participates in β ladder)trans-109.1-3176.558.90000113A14 L24 R114A14-T27 CarbonylContact O-C 3.56Å; L24-T27 HydrophobicContact CD1-CG2 3.99Å; L24-T27 HydrophobicContact CD2-CG2 3.86Å; L24-T27 HydrophobicContact CG-CG2 4.41Å; T27-R114 WeakPolarHBondContact O-CD 3.29Å; T27-R114 PolarHBondContact O-NH1 2.94Å
28R96.8Very high94Very high25 Ų2551.9 Ų51.99%0.09429%0.289CS..EExtended strand (participates in β ladder)trans-121.565177.4-66.4174.770.6112.4-1.8108.7T45 D46 I47 W125 L128 P129R28-T45 WeakPolarHBondContact O-CA 3.47Å; R28-T45 WeakPolarHBondContact O-CB 3.42Å; R28-T45 PolarHBondContact O-OG1 2.67Å; R28-D46 IonicContact CZ-OD2 3.12Å; R28-D46 IonicContact NE-OD1 2.8Å; R28-D46 PolarHBondContact NE-OD1 3.24Å; R28-D46 VanDerWaalsContact NE-OD1 3.12Å; R28-D46 IonicContact NE-OD2 2.69Å; R28-D46 PolarHBondContact NE-OD2 3.01Å; R28-D46 IonicContact NH2-OD2 3.21Å; R28-D46 PolarHBondContact NH2-OD2 2.84Å; R28-I47 VanDerWaalsContact CD-CD1 3.44Å; R28-W125 HydrophobicContact CB-CH2 4.03Å; R28-W125 VanDerWaalsContact O-CH2 3.29Å; R28-W125 WeakPolarHBondContact O-CH2 3.19Å; R28-L128 HydrophobicContact CG-CD1 4.49Å; R28-L128 HydrophobicContact CG-CD2 4.47Å; R28-P129 PolarHBondContact NH1-O 3.38Å; R28-P129 VanDerWaalsContact NH1-O 3.13Å; R28-P129 PolarHBondContact NH2-O 3Å
29G97.4Very high93.5Very high0 Ų059.6 Ų59.60%033%0.325CS..EExtended strand (participates in β ladder)trans-93133.3174.500000111.3A14 S44 W125A14-G29 PolarHBondContact N-O 2.82Å; A14-G29 WeakPolarHBondContact O-CA 3.47Å; A14-G29 PolarHBondContact O-N 2.87Å; G29-S44 CarbonylContact C-O 3.56Å; G29-S44 WeakPolarHBondContact CA-O 3.25Å; G29-W125 WeakPolarHBondContact O-CZ3 3.38Å
30M97.1Very high93Very high2 Ų258.9 Ų58.91%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-115.8125.1171.6-176-173.6-65.900109.2F8 K11 A32 F43 S44 N98 W125F8-M30 HydrophobicContact CB-CE 4.02Å; F8-M30 HydrophobicContact CB-SD 4.28Å; F8-M30 HydrophobicContact CD1-SD 4Å; F8-M30 HydrophobicContact CG-SD 4.43Å; K11-M30 HydrophobicContact CB-CG 4.18Å; K11-M30 HydrophobicContact CB-SD 4.48Å; K11-M30 HydrophobicContact CG-CG 4.47Å; K11-M30 HydrophobicContact CG-SD 4.37Å; M30-A32 PolarHBondContact O-N 2.79Å; M30-F43 CarbonylContact O-C 3.56Å; M30-F43 WeakPolarHBondContact O-CA 3.02Å; M30-S44 PolarHBondContact N-O 3.17Å; M30-S44 PolarHBondContact O-N 3.41Å; M30-S44 PolarHBondContact O-OG 3.39Å; M30-N98 HydrophobicContact SD-CB 4.08Å; M30-N98 PolarHBondContact SD-ND2 3.11Å; M30-W125 HydrophobicContact CB-CE3 4.01Å; M30-W125 HydrophobicContact CB-CH2 3.91Å; M30-W125 HydrophobicContact CB-CZ3 3.66Å; M30-W125 HydrophobicContact CE-CB 4.16Å; M30-W125 HydrophobicContact CE-CD2 3.21Å; M30-W125 HydrophobicContact CE-CE3 3.69Å; M30-W125 HydrophobicContact CE-CG 3.4Å; M30-W125 VanDerWaalsContact CE-CG 3.4Å; M30-W125 HydrophobicContact CE-CH2 4.38Å; M30-W125 HydrophobicContact CE-CZ2 3.98Å; M30-W125 HydrophobicContact CE-CZ3 4.27Å; M30-W125 HydrophobicContact CG-CE3 4.47Å
31K95.6Very high92.8Very high103 Ų10358.6 Ų58.645%0.44832%0.324SS..EExtended strand (participates in β ladder)trans-62.5129.5170.5-171.8173.2-178.1173.80110E41 F43K31-E41 WeakPolarHBondContact CE-OE1 3.3Å; K31-E41 WeakPolarHBondContact CE-OE2 3.36Å; K31-E41 IonicContact NZ-OE1 2.76Å; K31-E41 PolarHBondContact NZ-OE1 2.77Å; K31-E41 IonicContact NZ-OE2 3.39Å; K31-E41 PolarHBondContact NZ-OE2 2.78Å; K31-F43 HydrophobicContact CB-CD1 4.11Å; K31-F43 HydrophobicContact CB-CE1 3.72Å; K31-F43 HydrophobicContact CB-CZ 4.34Å; K31-F43 HydrophobicContact CD-CZ 4.46Å; K31-F43 HydrophobicContact CG-CE1 4.13Å; K31-F43 HydrophobicContact CG-CZ 4.26Å
32A91.4Very high92.7Very high19 Ų1957.6 Ų57.616%0.15732%0.317CS..EExtended strand (participates in β ladder)trans-138.3174.8-177.900000110.5M30 L42M30-A32 PolarHBondContact O-N 2.79Å; A32-L42 HydrophobicContact CB-CD1 3.74Å; A32-L42 HydrophobicContact CB-CG 4.22Å; A32-L42 PolarHBondContact N-O 3.32Å; A32-L42 PolarHBondContact O-N 3.26Å
33V91Very high92.6Very high66 Ų6653 Ų5340%0.429%0.291SS..EExtended strand (participates in β ladder)trans-132.7154.6173.2-63.40000109T38 V40V33-T38 WeakPolarHBondContact CG1-O 3.19Å; V33-T38 HydrophobicContact CG2-CG2 4.17Å; V33-V40 VanDerWaalsContact CA-O 3.3Å; V33-V40 WeakPolarHBondContact CA-O 3.36Å
34L87.1Confident92.6Very high54 Ų5451.6 Ų51.628%0.28328%0.282SS..  trans-66.6138.1175.3-68.3178.6000110.1A36 D37 V40 L42 Y83L34-A36 PolarHBondContact O-N 2.81Å; L34-D37 WeakPolarHBondContact CB-O 3.48Å; L34-D37 CarbonylContact O-C 3.56Å; L34-D37 VanDerWaalsContact O-C 3.22Å; L34-D37 PolarHBondContact O-N 3.1Å; L34-D37 VanDerWaalsContact O-O 3.12Å; L34-V40 HydrophobicContact CB-CB 4.38Å; L34-V40 HydrophobicContact CD1-CB 3.73Å; L34-V40 HydrophobicContact CD1-CG1 3.6Å; L34-V40 HydrophobicContact CD1-CG2 4.15Å; L34-V40 HydrophobicContact CG-CB 3.98Å; L34-V40 HydrophobicContact CG-CG1 3.9Å; L34-V40 PolarHBondContact N-O 2.98Å; L34-V40 VanDerWaalsContact N-O 3.1Å; L34-L42 HydrophobicContact CB-CD2 4.28Å; L34-L42 HydrophobicContact CD2-CD2 3.38Å; L34-L42 HydrophobicContact CG-CD2 3.48Å; L34-L42 VanDerWaalsContact CG-CD2 3.48Å; L34-Y83 WeakPolarHBondContact CD2-OH 3.48Å
35L84.4Confident92.5Very high92 Ų9248.4 Ų48.448%0.48227%0.265SS..SBendtrans-65-29.1175.4-63.6178.9000112.6C92 C96 N97L35-C92 HydrophobicContact CD1-CB 4.24Å; L35-C96 VanDerWaalsContact CD2-O 3.31Å; L35-C96 WeakPolarHBondContact CD2-O 3.24Å; L35-N97 HydrophobicContact CD1-CB 4.37Å
36A81.9Confident92.4Very high68 Ų6850.3 Ų50.356%0.56228%0.275SS*.SBendtrans-85.2-19.6179.100000113L34L34-A36 PolarHBondContact O-N 2.81Å
37D83Confident92.2Very high76 Ų7652.6 Ų52.641%0.40629%0.286SS..  trans-155.2102.4-178.3-172.5-10.6000110.2L34 E39 V40L34-D37 WeakPolarHBondContact CB-O 3.48Å; L34-D37 CarbonylContact O-C 3.56Å; L34-D37 VanDerWaalsContact O-C 3.22Å; L34-D37 PolarHBondContact O-N 3.1Å; L34-D37 VanDerWaalsContact O-O 3.12Å; D37-E39 PolarHBondContact O-N 3.22Å; D37-E39 WeakPolarHBondContact OD1-CB 3.39Å; D37-E39 PolarHBondContact OD1-N 3.1Å; D37-E39 VanDerWaalsContact OD1-N 3.1Å; D37-V40 HydrophobicContact CB-CG2 4.11Å; D37-V40 PolarHBondContact O-N 3.27Å
38T85.3Confident92Very high91 Ų9152.1 Ų52.156%0.55828%0.284SS*.THydrogen-bonded Turntrans-73.7-10.7-174.852.80000114V33 V40V33-T38 WeakPolarHBondContact CG1-O 3.19Å; V33-T38 HydrophobicContact CG2-CG2 4.17Å; T38-V40 VanDerWaalsContact C-N 3.28Å
39E88.1Confident91.9Very high161 Ų16151.4 Ų51.475%0.75228%0.282SS*.THydrogen-bonded Turntrans-78.2-19.7174.9-57.1-56.2119.800111.5D37 E41D37-E39 PolarHBondContact O-N 3.22Å; D37-E39 WeakPolarHBondContact OD1-CB 3.39Å; D37-E39 PolarHBondContact OD1-N 3.1Å; D37-E39 VanDerWaalsContact OD1-N 3.1Å; E39-E41 PolarHBondContact O-N 2.8Å
40V88.5Confident91.6Very high60 Ų6056.8 Ų56.836%0.36431%0.311SS..  trans-84.5102176-177.20000109.4V33 L34 D37 T38V33-V40 VanDerWaalsContact CA-O 3.3Å; V33-V40 WeakPolarHBondContact CA-O 3.36Å; L34-V40 HydrophobicContact CB-CB 4.38Å; L34-V40 HydrophobicContact CD1-CB 3.73Å; L34-V40 HydrophobicContact CD1-CG1 3.6Å; L34-V40 HydrophobicContact CD1-CG2 4.15Å; L34-V40 HydrophobicContact CG-CB 3.98Å; L34-V40 HydrophobicContact CG-CG1 3.9Å; L34-V40 PolarHBondContact N-O 2.98Å; L34-V40 VanDerWaalsContact N-O 3.1Å; D37-V40 HydrophobicContact CB-CG2 4.11Å; D37-V40 PolarHBondContact O-N 3.27Å; T38-V40 VanDerWaalsContact C-N 3.28Å
41E93.8Very high91.5Very high95 Ų9567.9 Ų67.944%0.44435%0.353SS..EExtended strand (participates in β ladder)trans-78.4146.1171.6-58-165.2139.800111.6K31 E39 S106K31-E41 WeakPolarHBondContact CE-OE1 3.3Å; K31-E41 WeakPolarHBondContact CE-OE2 3.36Å; K31-E41 IonicContact NZ-OE1 2.76Å; K31-E41 PolarHBondContact NZ-OE1 2.77Å; K31-E41 IonicContact NZ-OE2 3.39Å; K31-E41 PolarHBondContact NZ-OE2 2.78Å; E39-E41 PolarHBondContact O-N 2.8Å; E41-S106 WeakPolarHBondContact O-CB 3.35Å; E41-S106 PolarHBondContact O-OG 3.27Å
42L96.3Very high91.6Very high4 Ų464.5 Ų64.52%0.02134%0.341CS..EExtended strand (participates in β ladder)trans-155.2172.6178.657.2107.8000110.5A32 L34 M103 F104 S106A32-L42 HydrophobicContact CB-CD1 3.74Å; A32-L42 HydrophobicContact CB-CG 4.22Å; A32-L42 PolarHBondContact N-O 3.32Å; A32-L42 PolarHBondContact O-N 3.26Å; L34-L42 HydrophobicContact CB-CD2 4.28Å; L34-L42 HydrophobicContact CD2-CD2 3.38Å; L34-L42 HydrophobicContact CG-CD2 3.48Å; L34-L42 VanDerWaalsContact CG-CD2 3.48Å; L42-M103 HydrophobicContact CD1-CB 4.29Å; L42-M103 HydrophobicContact CD1-CE 2.97Å; L42-M103 HydrophobicContact CG-CE 4.42Å; L42-F104 WeakPolarHBondContact CB-O 3.49Å; L42-S106 VanDerWaalsContact CA-OG 3.25Å; L42-S106 WeakPolarHBondContact CA-OG 3.34Å; L42-S106 PolarHBondContact N-OG 2.78Å
43F97.8Very high91.9Very high22 Ų2263.9 Ų63.910%0.09634%0.335CS..EExtended strand (participates in β ladder)trans-116.8153.7171.9-68.6-92.8000110.5V16 M30 K31 M103 F104 V109 T111V16-F43 HydrophobicContact CG2-CB 4.27Å; M30-F43 CarbonylContact O-C 3.56Å; M30-F43 WeakPolarHBondContact O-CA 3.02Å; K31-F43 HydrophobicContact CB-CD1 4.11Å; K31-F43 HydrophobicContact CB-CE1 3.72Å; K31-F43 HydrophobicContact CB-CZ 4.34Å; K31-F43 HydrophobicContact CD-CZ 4.46Å; K31-F43 HydrophobicContact CG-CE1 4.13Å; K31-F43 HydrophobicContact CG-CZ 4.26Å; F43-M103 CarbonylContact O-C 3.45Å; F43-M103 VanDerWaalsContact O-CA 3.31Å; F43-M103 WeakPolarHBondContact O-CA 3.47Å; F43-F104 HydrophobicContact CB-CB 4.28Å; F43-F104 PolarHBondContact N-O 3.32Å; F43-F104 PolarHBondContact O-N 3.04Å; F43-V109 HydrophobicContact CD2-CG2 3.94Å; F43-T111 HydrophobicContact CD1-CG2 3.81Å; F43-T111 HydrophobicContact CD2-CG2 3.81Å; F43-T111 HydrophobicContact CE1-CG2 3.54Å; F43-T111 HydrophobicContact CE2-CG2 3.55Å; F43-T111 HydrophobicContact CG-CG2 3.93Å; F43-T111 HydrophobicContact CZ-CG2 3.4Å; F43-T111 WeakPolarHBondContact CZ-OG1 3.28Å
44S97.3Very high92.2Very high0 Ų065.2 Ų65.20%034%0.34CS..EExtended strand (participates in β ladder)trans-140153.2-178620000111.8G29 M30 N98 H100 W102 M103G29-S44 CarbonylContact C-O 3.56Å; G29-S44 WeakPolarHBondContact CA-O 3.25Å; M30-S44 PolarHBondContact N-O 3.17Å; M30-S44 PolarHBondContact O-N 3.41Å; M30-S44 PolarHBondContact O-OG 3.39Å; S44-N98 PolarHBondContact OG-ND2 3.23Å; S44-H100 WeakPolarHBondContact CB-ND1 3.34Å; S44-H100 PolarHBondContact OG-ND1 3.19Å; S44-W102 WeakPolarHBondContact CA-O 3.29Å; S44-M103 VanDerWaalsContact CB-CE 3.42Å
45T97.2Very high92.7Very high2 Ų265.9 Ų65.91%0.01234%0.341CS..EExtended strand (participates in β ladder)trans-129.8143.3177.8177.50000110.9R28 I47 P49 H100 W102 F104R28-T45 WeakPolarHBondContact O-CA 3.47Å; R28-T45 WeakPolarHBondContact O-CB 3.42Å; R28-T45 PolarHBondContact O-OG1 2.67Å; T45-I47 WeakPolarHBondContact CG2-O 3.49Å; T45-I47 PolarHBondContact OG1-N 3.3Å; T45-I47 PolarHBondContact OG1-O 3.31Å; T45-I47 VanDerWaalsContact OG1-O 3.11Å; T45-P49 HydrophobicContact CG2-CG 4.49Å; T45-H100 WeakPolarHBondContact O-CB 3.31Å; T45-W102 HydrophobicContact CG2-CB 3.5Å; T45-W102 HydrophobicContact CG2-CG 4.3Å; T45-W102 PolarHBondContact N-O 3.29Å; T45-W102 VanDerWaalsContact N-O 3.08Å; T45-F104 HydrophobicContact CG2-CE2 3.71Å; T45-F104 HydrophobicContact CG2-CZ 4.2Å
46D95.2Very high93.3Very high43 Ų4363.8 Ų63.823%0.2333%0.332CS..SBendtrans-79-2117357.2-20000112.4R28 W125R28-D46 IonicContact CZ-OD2 3.12Å; R28-D46 IonicContact NE-OD1 2.8Å; R28-D46 PolarHBondContact NE-OD1 3.24Å; R28-D46 VanDerWaalsContact NE-OD1 3.12Å; R28-D46 IonicContact NE-OD2 2.69Å; R28-D46 PolarHBondContact NE-OD2 3.01Å; R28-D46 IonicContact NH2-OD2 3.21Å; R28-D46 PolarHBondContact NH2-OD2 2.84Å; D46-W125 HydrophobicContact CB-CZ2 4.13Å
47I93.4Very high93.6Very high62 Ų6263.9 Ų63.932%0.31833%0.332SS..SBendtrans-100.9133.9178.8-56.2-175.8000111R28 T45 P49 L131R28-I47 VanDerWaalsContact CD-CD1 3.44Å; T45-I47 WeakPolarHBondContact CG2-O 3.49Å; T45-I47 PolarHBondContact OG1-N 3.3Å; T45-I47 PolarHBondContact OG1-O 3.31Å; T45-I47 VanDerWaalsContact OG1-O 3.11Å; I47-P49 VanDerWaalsContact O-CD 3.3Å; I47-P49 WeakPolarHBondContact O-CD 3.34Å; I47-L131 HydrophobicContact CD1-CD2 3.45Å; I47-L131 VanDerWaalsContact CD1-CD2 3.45Å; I47-L131 HydrophobicContact CG1-CD1 3.76Å; I47-L131 HydrophobicContact CG1-CD2 3.62Å; I47-L131 HydrophobicContact CG1-CG 4.36Å
48P94.2Very high94.1Very high49 Ų4965.2 Ų65.232%0.31835%0.347SS..  trans-56.2118.4166.9-23.734.4000112.5N50 W102P48-N50 WeakPolarHBondContact CB-OD1 3.04Å; P48-N50 PolarHBondContact O-N 3.08Å; P48-W102 HydrophobicContact CB-CZ2 3.93Å
49P93.1Very high94.7Very high10 Ų1063.3 Ų63.37%0.06534%0.337CS..  trans-78.545.8-179.430.7-32.2000113.5T45 I47 R51 T52 V53 W102 F104T45-P49 HydrophobicContact CG2-CG 4.49Å; I47-P49 VanDerWaalsContact O-CD 3.3Å; I47-P49 WeakPolarHBondContact O-CD 3.34Å; P49-R51 PolarHBondContact O-N 3.26Å; P49-T52 PolarHBondContact O-N 3.26Å; P49-T52 PolarHBondContact O-OG1 3.42Å; P49-V53 HydrophobicContact CB-CG2 3.93Å; P49-V53 HydrophobicContact CG-CG2 3.49Å; P49-V53 VanDerWaalsContact CG-CG2 3.49Å; P49-V53 PolarHBondContact O-N 3.2Å; P49-V53 VanDerWaalsContact O-N 3.17Å; P49-W102 VanDerWaalsContact CD-CE3 3.49Å; P49-W102 HydrophobicContact CG-CD2 4.08Å; P49-W102 HydrophobicContact CG-CE3 3.71Å; P49-W102 HydrophobicContact CG-CG 4.5Å; P49-W102 HydrophobicContact CG-CZ3 4.11Å; P49-F104 HydrophobicContact CB-CZ 4.39Å; P49-F104 HydrophobicContact CG-CZ 4.15Å
50N91.1Very high95.1Very high113 Ų11359.8 Ų59.860%0.60432%0.318SS*.THydrogen-bonded Turntrans-58.2-21.3-168.7-62.9-12.1000114.9P48P48-N50 WeakPolarHBondContact CB-OD1 3.04Å; P48-N50 PolarHBondContact O-N 3.08Å
51R95.3Very high95.5Very high236 Ų23660.5 Ų60.589%0.89133%0.326SS*.THydrogen-bonded Turntrans-97.1-7-178.5-62.4-176.7-176-98.60.2114P49P49-R51 PolarHBondContact O-N 3.26Å
52T97.9Very high95.4Very high32 Ų3257.2 Ų57.220%0.19631%0.312CS..THydrogen-bonded Turntrans-125.9-21.3-170.460.50000113.5L24 L25 P49 L75L24-T52 VanDerWaalsContact O-CG2 3.31Å; L24-T52 WeakPolarHBondContact O-CG2 3.4Å; L25-T52 WeakPolarHBondContact O-CB 3.37Å; L25-T52 PolarHBondContact O-OG1 3.47Å; P49-T52 PolarHBondContact O-N 3.26Å; P49-T52 PolarHBondContact O-OG1 3.42Å; T52-L75 PolarHBondContact O-N 3.47Å
53V98.2Very high95.2Very high5 Ų565.4 Ų65.43%0.0335%0.35CS..EExtended strand (participates in β ladder)trans-136.6160.8174.8-530000110.7L25 P49 I72 A73 V81 W102 F104L25-V53 HydrophobicContact CD2-CG1 3.83Å; P49-V53 HydrophobicContact CB-CG2 3.93Å; P49-V53 HydrophobicContact CG-CG2 3.49Å; P49-V53 VanDerWaalsContact CG-CG2 3.49Å; P49-V53 PolarHBondContact O-N 3.2Å; P49-V53 VanDerWaalsContact O-N 3.17Å; V53-I72 HydrophobicContact CB-CB 4.26Å; V53-I72 HydrophobicContact CB-CD1 4.31Å; V53-I72 HydrophobicContact CG1-CD1 4.33Å; V53-I72 HydrophobicContact CG2-CB 4.15Å; V53-I72 HydrophobicContact CG2-CD1 3.88Å; V53-I72 HydrophobicContact CG2-CG2 4.48Å; V53-A73 CarbonylContact C-O 3.56Å; V53-A73 WeakPolarHBondContact CA-O 3.48Å; V53-A73 VanDerWaalsContact CB-O 3.31Å; V53-A73 WeakPolarHBondContact CB-O 3.21Å; V53-V81 HydrophobicContact CG1-CG2 3.85Å; V53-W102 HydrophobicContact CG2-CZ3 4.34Å; V53-F104 HydrophobicContact CG1-CE1 4.3Å
54D98.1Very high94.8Very high95 Ų9568.7 Ų68.751%0.50838%0.376SS..EExtended strand (participates in β ladder)trans-140.8161.2171.6-163.5-0.4000110.1I72 A73 L75D54-I72 CarbonylContact O-C 3.55Å; D54-I72 VanDerWaalsContact O-CA 3.28Å; D54-I72 WeakPolarHBondContact O-CA 3.41Å; D54-A73 PolarHBondContact N-O 3.26Å; D54-A73 PolarHBondContact O-N 2.82Å; D54-L75 HydrophobicContact CB-CD2 3.64Å; D54-L75 HydrophobicContact CB-CG 4.18Å
55F97.6Very high94.5Very high68 Ų6870.3 Ų70.330%0.29839%0.387SS..EExtended strand (participates in β ladder)trans-68.4139.5179.7-64.6-61.1000112R70 D71 I72 H84 W102F55-R70 HydrophobicContact CB-CG 4.29Å; F55-R70 VanDerWaalsContact CB-CZ 3.45Å; F55-R70 HydrophobicContact CD1-CB 4.18Å; F55-R70 HydrophobicContact CD1-CG 3.93Å; F55-R70 HydrophobicContact CG-CG 4.39Å; F55-D71 WeakPolarHBondContact CA-O 3.45Å; F55-I72 HydrophobicContact CD1-CG2 3.8Å; F55-I72 HydrophobicContact CE1-CG2 4.07Å; F55-H84 HydrophobicContact CD1-CB 4.49Å; F55-H84 HydrophobicContact CE1-CB 3.6Å; F55-H84 AromaticContact CE1-CD2 3.78Å; F55-H84 AromaticContact CE1-CG 3.88Å; F55-H84 HydrophobicContact CZ-CB 4.43Å; F55-H84 AromaticContact CZ-CD2 3.89Å; F55-W102 AromaticContact CE1-CH2 3.96Å; F55-W102 HydrophobicContact CE1-CH2 3.96Å; F55-W102 HydrophobicContact CE1-CZ3 4.1Å; F55-W102 HydrophobicContact CE2-CH2 4.49Å; F55-W102 AromaticContact CZ-CH2 3.66Å; F55-W102 HydrophobicContact CZ-CH2 3.66Å; F55-W102 HydrophobicContact CZ-CZ2 4.41Å; F55-W102 HydrophobicContact CZ-CZ3 4.27Å
56V95.3Very high94.4Very high48 Ų4877 Ų7729%0.29142%0.416SS..EExtended strand (participates in β ladder)trans-126.8154.1170.3-63.80000110.4D71 A73 V80V56-D71 HydrophobicContact CG2-CB 3.69Å; V56-D71 PolarHBondContact N-O 2.76Å; V56-A73 HydrophobicContact CB-CB 4.49Å; V56-A73 HydrophobicContact CG1-CB 3.5Å; V56-A73 VanDerWaalsContact CG1-CB 3.5Å; V56-A73 HydrophobicContact CG2-CB 4.16Å; V56-V80 HydrophobicContact CG2-CG2 4.02Å
57A89.8Confident94.4Very high70 Ų7075.3 Ų75.358%0.57941%0.407SS*.EExtended strand (participates in β ladder)trans57.6-179.6-177.400000114.5R70A57-R70 PolarHBondContact O-NE 2.87Å; A57-R70 PolarHBondContact O-NH2 2.94Å
58S93.8Very high94.6Very high103 Ų10376.7 Ų76.772%0.7241%0.411SS*.EExtended strand (participates in β ladder)trans-81.5159.4173.4-57.30000110.7
59C96.4Very high94.7Very high51 Ų5174.9 Ų74.935%0.34540%0.398SS..EExtended strand (participates in β ladder)trans-64.9147.4173.7-59.80000111.4K68 L69C59-K68 HydrophobicContact CB-CD 4.17Å; C59-K68 HydrophobicContact CB-CG 3.92Å; C59-L69 CarbonylContact C-O 3.54Å; C59-L69 WeakPolarHBondContact CA-O 3.47Å
60Y96.8Very high94.9Very high87 Ų8778.4 Ų78.434%0.34141%0.411SS..EExtended strand (participates in β ladder)trans-133.6164173.459.5-88.2000110.6K68 L69 D71Y60-K68 CarbonylContact O-C 3.5Å; Y60-K68 WeakPolarHBondContact O-CA 3.2Å; Y60-L69 HydrophobicContact CD2-CB 4.37Å; Y60-L69 HydrophobicContact CE1-CB 4.31Å; Y60-L69 HydrophobicContact CE2-CB 3.86Å; Y60-L69 HydrophobicContact CE2-CD1 3.96Å; Y60-L69 HydrophobicContact CE2-CG 4.33Å; Y60-L69 PolarHBondContact N-O 3.07Å; Y60-L69 PolarHBondContact O-N 3.29Å; Y60-D71 VanDerWaalsContact CE1-OD1 3.26Å; Y60-D71 WeakPolarHBondContact CE1-OD1 3.34Å; Y60-D71 PolarHBondContact OH-OD1 2.85Å
61S96.4Very high95.3Very high76 Ų7675 Ų7553%0.53139%0.392SS..EExtended strand (participates in β ladder)trans-109.3135.3177.6-68.80000110.7C67S61-C67 VanDerWaalsContact CA-O 3.32Å; S61-C67 WeakPolarHBondContact CA-O 3.16Å
62T93.2Very high95.4Very high25 Ų2563.8 Ų63.815%0.15335%0.35CS..  trans-67142.417462.90000110.6C65 K66 C67 L69T62-C65 PolarHBondContact OG1-N 2.89Å; T62-C65 PolarHBondContact OG1-SG 3.38Å; T62-K66 VanDerWaalsContact O-CA 3.24Å; T62-K66 WeakPolarHBondContact O-CA 3.17Å; T62-K66 PolarHBondContact O-N 2.95Å; T62-K66 PolarHBondContact OG1-N 3.27Å; T62-K66 VanDerWaalsContact OG1-N 3.12Å; T62-C67 PolarHBondContact N-O 3.47Å; T62-C67 PolarHBondContact OG1-N 3.22Å; T62-L69 HydrophobicContact CG2-CD1 3.35Å; T62-L69 HydrophobicContact CG2-CG 3.8Å
63E91.1Very high95.5Very high177 Ų17762.6 Ų62.683%0.82734%0.343SS*.THydrogen-bonded Turntrans-70.9-36.8178.1-64.9-170.7169.200112K66E63-K66 PolarHBondContact O-NZ 3.47Å; E63-K66 VanDerWaalsContact O-NZ 3.07Å
64S89.9Confident95.5Very high91 Ų9162.4 Ų62.464%0.63634%0.342SS*.THydrogen-bonded Turntrans-73.5-41.9-173560000114.4
65C90.5Very high95.5Very high34 Ų3462.5 Ų62.523%0.2334%0.342CS..THydrogen-bonded Turntrans-127.3-1.5-176.464.80000114.5T62 C67 C89T62-C65 PolarHBondContact OG1-N 2.89Å; T62-C65 PolarHBondContact OG1-SG 3.38Å; C65-C67 PolarHBondContact O-N 3.42Å; C65-C67 VanDerWaalsContact O-N 3.15Å; C65-C67 PolarHBondContact SG-SG 3.09Å; C65-C89 WeakPolarHBondContact O-CB 3.45Å; C65-C89 PolarHBondContact O-SG 3.04Å
66K94.4Very high95.5Very high142 Ų14266 Ų6662%0.61736%0.357SS*.  trans59.916.4-178.1-49.6-57.4-179.1-156.50114.4T62 E63T62-K66 VanDerWaalsContact O-CA 3.24Å; T62-K66 WeakPolarHBondContact O-CA 3.17Å; T62-K66 PolarHBondContact O-N 2.95Å; T62-K66 PolarHBondContact OG1-N 3.27Å; T62-K66 VanDerWaalsContact OG1-N 3.12Å; E63-K66 PolarHBondContact O-NZ 3.47Å; E63-K66 VanDerWaalsContact O-NZ 3.07Å
67C95.4Very high95.7Very high7 Ų766 Ų665%0.04736%0.359CS..  trans-61.4138.5168.9-72.70000109.1S61 T62 C65 L69 A87 C89S61-C67 VanDerWaalsContact CA-O 3.32Å; S61-C67 WeakPolarHBondContact CA-O 3.16Å; T62-C67 PolarHBondContact N-O 3.47Å; T62-C67 PolarHBondContact OG1-N 3.22Å; C65-C67 PolarHBondContact O-N 3.42Å; C65-C67 VanDerWaalsContact O-N 3.15Å; C65-C67 PolarHBondContact SG-SG 3.09Å; C67-L69 HydrophobicContact CB-CD2 4.08Å; C67-A87 WeakPolarHBondContact CA-O 3.28Å; C67-C89 PolarHBondContact SG-N 2.95Å
68K97.4Very high96.1Very high92 Ų9265.2 Ų65.240%0.436%0.357SS..EExtended strand (participates in β ladder)trans-88.2120.9172.7-170.5176.7178.8-179.60108.5C59 Y60 V85 V86 A87C59-K68 HydrophobicContact CB-CD 4.17Å; C59-K68 HydrophobicContact CB-CG 3.92Å; Y60-K68 CarbonylContact O-C 3.5Å; Y60-K68 WeakPolarHBondContact O-CA 3.2Å; K68-V85 CarbonylContact O-C 3.59Å; K68-V86 HydrophobicContact CB-CB 4.49Å; K68-V86 HydrophobicContact CD-CG1 4.3Å; K68-V86 HydrophobicContact CG-CB 4.29Å; K68-V86 PolarHBondContact O-N 2.96Å; K68-A87 HydrophobicContact CB-CB 3.95Å; K68-A87 PolarHBondContact N-O 3.21Å; K68-A87 PolarHBondContact O-N 2.88Å; K68-A87 VanDerWaalsContact O-N 3.09Å
69L97.4Very high96.3Very high11 Ų1163.4 Ų63.46%0.05834%0.34CS..EExtended strand (participates in β ladder)trans-116.2160.5-177.8-52.1-173.6000110.5C59 Y60 T62 C67 Y83 H84 V85C59-L69 CarbonylContact C-O 3.54Å; C59-L69 WeakPolarHBondContact CA-O 3.47Å; Y60-L69 HydrophobicContact CD2-CB 4.37Å; Y60-L69 HydrophobicContact CE1-CB 4.31Å; Y60-L69 HydrophobicContact CE2-CB 3.86Å; Y60-L69 HydrophobicContact CE2-CD1 3.96Å; Y60-L69 HydrophobicContact CE2-CG 4.33Å; Y60-L69 PolarHBondContact N-O 3.07Å; Y60-L69 PolarHBondContact O-N 3.29Å; T62-L69 HydrophobicContact CG2-CD1 3.35Å; T62-L69 HydrophobicContact CG2-CG 3.8Å; C67-L69 HydrophobicContact CB-CD2 4.08Å; L69-Y83 HydrophobicContact CB-CD2 4.48Å; L69-Y83 HydrophobicContact CD1-CD2 3.84Å; L69-Y83 HydrophobicContact CD1-CE2 4.03Å; L69-Y83 HydrophobicContact CD1-CG 4.26Å; L69-Y83 HydrophobicContact CD2-CD2 3.96Å; L69-Y83 HydrophobicContact CD2-CE2 4.17Å; L69-Y83 HydrophobicContact CG-CD2 4.32Å; L69-H84 CarbonylContact C-O 3.6Å; L69-H84 VanDerWaalsContact CA-O 3.29Å; L69-H84 WeakPolarHBondContact CA-O 3.32Å; L69-V85 HydrophobicContact CD2-CB 4.11Å; L69-V85 HydrophobicContact CD2-CG1 4.19Å; L69-V85 HydrophobicContact CD2-CG2 3.73Å
70R97.9Very high96.4Very high84 Ų8464 Ų6432%0.31734%0.342SS..EExtended strand (participates in β ladder)trans-142132.1167.2-168.8173.5-170.8-161.9-5109.1F55 A57 Y83 H84 V86F55-R70 HydrophobicContact CB-CG 4.29Å; F55-R70 VanDerWaalsContact CB-CZ 3.45Å; F55-R70 HydrophobicContact CD1-CB 4.18Å; F55-R70 HydrophobicContact CD1-CG 3.93Å; F55-R70 HydrophobicContact CG-CG 4.39Å; A57-R70 PolarHBondContact O-NE 2.87Å; A57-R70 PolarHBondContact O-NH2 2.94Å; R70-Y83 CarbonylContact O-C 3.56Å; R70-Y83 VanDerWaalsContact O-CA 3.31Å; R70-Y83 WeakPolarHBondContact O-CA 3.29Å; R70-H84 PolarHBondContact N-O 2.85Å; R70-H84 PolarHBondContact O-N 3.13Å; R70-V86 HydrophobicContact CB-CG2 3.72Å
71D98.3Very high96.5Very high42 Ų4259.9 Ų59.923%0.22533%0.326CS..EExtended strand (participates in β ladder)trans-68.7150.9-178.9-68.6-17.4000110.9F55 V56 Y60 V80F55-D71 WeakPolarHBondContact CA-O 3.45Å; V56-D71 HydrophobicContact CG2-CB 3.69Å; V56-D71 PolarHBondContact N-O 2.76Å; Y60-D71 VanDerWaalsContact CE1-OD1 3.26Å; Y60-D71 WeakPolarHBondContact CE1-OD1 3.34Å; Y60-D71 PolarHBondContact OH-OD1 2.85Å; D71-V80 HydrophobicContact CB-CG1 4.24Å
72I98.4Very high96.6Very high0 Ų056.3 Ų56.30%030%0.3CS..EExtended strand (participates in β ladder)trans-123.4138.8176.255.6160.8000110V53 D54 F55 V80 V81 G82 H84 W102 F104V53-I72 HydrophobicContact CB-CB 4.26Å; V53-I72 HydrophobicContact CB-CD1 4.31Å; V53-I72 HydrophobicContact CG1-CD1 4.33Å; V53-I72 HydrophobicContact CG2-CB 4.15Å; V53-I72 HydrophobicContact CG2-CD1 3.88Å; V53-I72 HydrophobicContact CG2-CG2 4.48Å; D54-I72 CarbonylContact O-C 3.55Å; D54-I72 VanDerWaalsContact O-CA 3.28Å; D54-I72 WeakPolarHBondContact O-CA 3.41Å; F55-I72 HydrophobicContact CD1-CG2 3.8Å; F55-I72 HydrophobicContact CE1-CG2 4.07Å; I72-V80 WeakPolarHBondContact O-CA 3.4Å; I72-V81 HydrophobicContact CD1-CG2 4.38Å; I72-V81 HydrophobicContact CG1-CG2 4.41Å; I72-V81 PolarHBondContact O-N 3.1Å; I72-G82 WeakPolarHBondContact CG1-O 3.42Å; I72-G82 PolarHBondContact N-O 3.32Å; I72-H84 HydrophobicContact CG2-CB 4.34Å; I72-W102 HydrophobicContact CD1-CE3 4.32Å; I72-W102 HydrophobicContact CG2-CE3 4.33Å; I72-W102 HydrophobicContact CG2-CZ3 3.86Å; I72-F104 HydrophobicContact CD1-CD1 4.24Å; I72-F104 HydrophobicContact CD1-CE1 3.94Å
73A98.6Very high96.8Very high7 Ų756.5 Ų56.56%0.05830%0.299CS..EExtended strand (participates in β ladder)trans-116.9146.5178.200000111.3V53 D54 V56 L75 N79V53-A73 CarbonylContact C-O 3.56Å; V53-A73 WeakPolarHBondContact CA-O 3.48Å; V53-A73 VanDerWaalsContact CB-O 3.31Å; V53-A73 WeakPolarHBondContact CB-O 3.21Å; D54-A73 PolarHBondContact N-O 3.26Å; D54-A73 PolarHBondContact O-N 2.82Å; V56-A73 HydrophobicContact CB-CB 4.49Å; V56-A73 HydrophobicContact CG1-CB 3.5Å; V56-A73 VanDerWaalsContact CG1-CB 3.5Å; V56-A73 HydrophobicContact CG2-CB 4.16Å; A73-L75 PolarHBondContact O-N 2.89Å; A73-N79 CarbonylContact C-O 3.22Å; A73-N79 VanDerWaalsContact CA-O 3.24Å; A73-N79 WeakPolarHBondContact CA-O 3.31Å
74C98.8Very high97.1Very high1 Ų149.7 Ų49.71%0.00727%0.267CS..EExtended strand (participates in β ladder)trans-63.3124.1174.8178.60000110.4C18 L25 K76 C77 G78 N79 V81C18-C74 HydrophobicContact CB-CB 4.38Å; L25-C74 HydrophobicContact CD2-CB 4.17Å; C74-K76 PolarHBondContact O-N 2.99Å; C74-K76 VanDerWaalsContact O-N 3.16Å; C74-C77 PolarHBondContact O-N 2.76Å; C74-G78 WeakPolarHBondContact O-CA 3.19Å; C74-G78 PolarHBondContact O-N 3.24Å; C74-N79 PolarHBondContact N-O 3.21Å; C74-V81 HydrophobicContact CB-CG1 3.98Å
75L98.3Very high97.4Very high96 Ų9646.3 Ų46.350%0.50324%0.242SC..THydrogen-bonded Turntrans-62.3-24.4-179.6-80.8174.6000113.6T52 D54 A73T52-L75 PolarHBondContact O-N 3.47Å; D54-L75 HydrophobicContact CB-CD2 3.64Å; D54-L75 HydrophobicContact CB-CG 4.18Å; A73-L75 PolarHBondContact O-N 2.89Å
76K98.4Very high97.8Very high142 Ų14247.7 Ų47.762%0.61725%0.249SC*.THydrogen-bonded Turntrans-77.7-37.2-179.5-169-174.3178.1-168.60113.1C21 C74C21-K76 HydrophobicContact CB-CD 4.37Å; C21-K76 PolarHBondContact O-NZ 3.44Å; C21-K76 VanDerWaalsContact O-NZ 3.07Å; C74-K76 PolarHBondContact O-N 2.99Å; C74-K76 VanDerWaalsContact O-N 3.16Å
77C98.4Very high97.9Very high47 Ų4743 Ų4332%0.31824%0.237SC..THydrogen-bonded Turntrans-128.4-7-171.376.80000115.3C21 C74 N79C21-C77 HydrophobicContact CB-CB 3.77Å; C21-C77 VanDerWaalsContact SG-SG 3.63Å; C74-C77 PolarHBondContact O-N 2.76Å; C77-N79 VanDerWaalsContact C-N 3.26Å; C77-N79 PolarHBondContact O-N 3.12Å; C77-N79 PolarHBondContact SG-ND2 2.99Å; C77-N79 VanDerWaalsContact SG-ND2 3.42Å
78G98.1Very high97.9Very high54 Ų5444.7 Ų44.756%0.55725%0.248SC*.  trans76-1.4176.900000116.1C74C74-G78 WeakPolarHBondContact O-CA 3.19Å; C74-G78 PolarHBondContact O-N 3.24Å
79N98.6Very high97.7Very high66 Ų6641.1 Ų41.135%0.35324%0.235SC..  trans-74.6141.6176.7-70.8-56.6000111F20 A73 C74 C77 V81F20-N79 HydrophobicContact CB-CB 4.4Å; F20-N79 VanDerWaalsContact CB-ND2 3.31Å; F20-N79 WeakPolarHBondContact CB-ND2 3.4Å; F20-N79 HydrophobicContact CD2-CB 3.41Å; F20-N79 VanDerWaalsContact CD2-CB 3.41Å; F20-N79 HydrophobicContact CE2-CB 3.71Å; F20-N79 HydrophobicContact CG-CB 3.88Å; F20-N79 WeakPolarHBondContact CG-ND2 3.22Å; F20-N79 HydrophobicContact CZ-CB 4.39Å; A73-N79 CarbonylContact C-O 3.22Å; A73-N79 VanDerWaalsContact CA-O 3.24Å; A73-N79 WeakPolarHBondContact CA-O 3.31Å; C74-N79 PolarHBondContact N-O 3.21Å; C77-N79 VanDerWaalsContact C-N 3.26Å; C77-N79 PolarHBondContact O-N 3.12Å; C77-N79 PolarHBondContact SG-ND2 2.99Å; C77-N79 VanDerWaalsContact SG-ND2 3.42Å; N79-V81 PolarHBondContact O-N 3.22Å
80V98.4Very high97.6Very high64 Ų6448.1 Ų48.139%0.38827%0.265SS..EExtended strand (participates in β ladder)trans-64.4129.7172.4179.50000109.1V56 D71 I72V56-V80 HydrophobicContact CG2-CG2 4.02Å; D71-V80 HydrophobicContact CB-CG1 4.24Å; I72-V80 WeakPolarHBondContact O-CA 3.4Å
81V98.5Very high97.3Very high0 Ų048.3 Ų48.30%028%0.276CS..EExtended strand (participates in β ladder)trans-120.7-6.4-177.6-68.50000113.2C18 L25 V53 I72 C74 N79 F104 N105 V109C18-V81 HydrophobicContact CB-CG1 4.41Å; L25-V81 HydrophobicContact CD1-CB 4.02Å; L25-V81 HydrophobicContact CD1-CG1 4.11Å; L25-V81 HydrophobicContact CD1-CG2 4.07Å; V53-V81 HydrophobicContact CG1-CG2 3.85Å; I72-V81 HydrophobicContact CD1-CG2 4.38Å; I72-V81 HydrophobicContact CG1-CG2 4.41Å; I72-V81 PolarHBondContact O-N 3.1Å; C74-V81 HydrophobicContact CB-CG1 3.98Å; N79-V81 PolarHBondContact O-N 3.22Å; V81-F104 HydrophobicContact CG2-CD1 4.28Å; V81-F104 HydrophobicContact CG2-CE1 4.48Å; V81-F104 CarbonylContact O-C 3.54Å; V81-F104 WeakPolarHBondContact O-CA 3.37Å; V81-N105 PolarHBondContact O-N 3.32Å; V81-V109 HydrophobicContact CB-CG1 4.43Å
82G97.9Very high97Very high0 Ų047.4 Ų47.40%027%0.273CS..EExtended strand (participates in β ladder)trans164.5-152.8-178.800000112.4I72 M103I72-G82 WeakPolarHBondContact CG1-O 3.42Å; I72-G82 PolarHBondContact N-O 3.32Å; G82-M103 CarbonylContact C-O 3.54Å; G82-M103 VanDerWaalsContact CA-O 3.27Å; G82-M103 WeakPolarHBondContact CA-O 3.43Å
83Y97.9Very high96.6Very high29 Ų2951.9 Ų51.911%0.11430%0.297CS..EExtended strand (participates in β ladder)trans-149.3158.7-178.758.9-91.2000112.3L34 L69 R70 V85 M103L34-Y83 WeakPolarHBondContact CD2-OH 3.48Å; L69-Y83 HydrophobicContact CB-CD2 4.48Å; L69-Y83 HydrophobicContact CD1-CD2 3.84Å; L69-Y83 HydrophobicContact CD1-CE2 4.03Å; L69-Y83 HydrophobicContact CD1-CG 4.26Å; L69-Y83 HydrophobicContact CD2-CD2 3.96Å; L69-Y83 HydrophobicContact CD2-CE2 4.17Å; L69-Y83 HydrophobicContact CG-CD2 4.32Å; R70-Y83 CarbonylContact O-C 3.56Å; R70-Y83 VanDerWaalsContact O-CA 3.31Å; R70-Y83 WeakPolarHBondContact O-CA 3.29Å; Y83-V85 HydrophobicContact CD2-CG2 4.39Å; Y83-V85 HydrophobicContact CE2-CG2 4.14Å; Y83-M103 HydrophobicContact CD1-CB 4.35Å; Y83-M103 HydrophobicContact CD2-CB 4.06Å; Y83-M103 HydrophobicContact CD2-CG 3.95Å; Y83-M103 HydrophobicContact CE1-CB 3.9Å; Y83-M103 HydrophobicContact CE1-CG 4.48Å; Y83-M103 HydrophobicContact CE2-CB 3.6Å; Y83-M103 HydrophobicContact CE2-CG 3.29Å; Y83-M103 HydrophobicContact CG-CB 4.41Å; Y83-M103 VanDerWaalsContact CZ-CB 3.49Å; Y83-M103 PolarHBondContact N-O 3.42Å; Y83-M103 PolarHBondContact O-N 3.31Å
84H97.8Very high96.2Very high35 Ų3558 Ų5816%0.16233%0.328CS..EExtended strand (participates in β ladder)trans-106.4136.4169.3178.861.7000110.4F55 L69 R70 I72 V86 F101 W102F55-H84 HydrophobicContact CD1-CB 4.49Å; F55-H84 HydrophobicContact CE1-CB 3.6Å; F55-H84 AromaticContact CE1-CD2 3.78Å; F55-H84 AromaticContact CE1-CG 3.88Å; F55-H84 HydrophobicContact CZ-CB 4.43Å; F55-H84 AromaticContact CZ-CD2 3.89Å; L69-H84 CarbonylContact C-O 3.6Å; L69-H84 VanDerWaalsContact CA-O 3.29Å; L69-H84 WeakPolarHBondContact CA-O 3.32Å; R70-H84 PolarHBondContact N-O 2.85Å; R70-H84 PolarHBondContact O-N 3.13Å; I72-H84 HydrophobicContact CG2-CB 4.34Å; H84-V86 PolarHBondContact O-N 2.76Å; H84-F101 CarbonylContact C-O 3.55Å; H84-F101 WeakPolarHBondContact CA-O 3.41Å; H84-F101 PolarHBondContact ND1-O 2.94Å; H84-F101 VanDerWaalsContact ND1-O 3.08Å; H84-W102 HydrophobicContact CB-CD2 4.37Å; H84-W102 HydrophobicContact CB-CE3 3.96Å; H84-W102 HydrophobicContact CB-CH2 4.48Å; H84-W102 HydrophobicContact CB-CZ3 4.04Å; H84-W102 AromaticContact CE1-CE2 3.69Å; H84-W102 AromaticContact CE1-CZ2 3.91Å; H84-W102 AromaticContact CE1-NE1 3.74Å; H84-W102 AromaticContact ND1-CD1 3.99Å; H84-W102 AromaticContact ND1-CD2 3.43Å; H84-W102 AromaticContact ND1-CE2 3.31Å; H84-W102 VanDerWaalsContact ND1-CE2 3.31Å; H84-W102 AromaticContact ND1-CE3 3.91Å; H84-W102 AromaticContact ND1-CG 3.88Å; H84-W102 AromaticContact ND1-CZ2 3.7Å; H84-W102 AromaticContact ND1-NE1 3.63Å
85V97Very high95.7Very high20 Ų2060.9 Ų60.912%0.12135%0.348CS..EExtended strand (participates in β ladder)trans-82.191.1173-177.10000108.7K68 L69 Y83 A87 P88 F101 M103K68-V85 CarbonylContact O-C 3.59Å; L69-V85 HydrophobicContact CD2-CB 4.11Å; L69-V85 HydrophobicContact CD2-CG1 4.19Å; L69-V85 HydrophobicContact CD2-CG2 3.73Å; Y83-V85 HydrophobicContact CD2-CG2 4.39Å; Y83-V85 HydrophobicContact CE2-CG2 4.14Å; V85-A87 VanDerWaalsContact C-N 3.34Å; V85-A87 PolarHBondContact O-N 2.73Å; V85-P88 HydrophobicContact CG1-CB 4.03Å; V85-F101 HydrophobicContact CB-CD1 3.92Å; V85-F101 HydrophobicContact CG1-CD1 4.13Å; V85-F101 PolarHBondContact N-O 3.44Å; V85-F101 WeakPolarHBondContact O-CD1 3.31Å; V85-M103 HydrophobicContact CG2-CG 4.45Å
86V97.1Very high95.2Very high62 Ų6260.2 Ų60.238%0.37635%0.35SS..EExtended strand (participates in β ladder)trans-62.5-41.4179.3179.20000111.7K68 R70 H84K68-V86 HydrophobicContact CB-CB 4.49Å; K68-V86 HydrophobicContact CD-CG1 4.3Å; K68-V86 HydrophobicContact CG-CB 4.29Å; K68-V86 PolarHBondContact O-N 2.96Å; R70-V86 HydrophobicContact CB-CG2 3.72Å; H84-V86 PolarHBondContact O-N 2.76Å
87A96.6Very high94.8Very high43 Ų4355.8 Ų55.836%0.35533%0.333SS..EExtended strand (participates in β ladder)trans-145.6113.8175.200000110.4C67 K68 V85C67-A87 WeakPolarHBondContact CA-O 3.28Å; K68-A87 HydrophobicContact CB-CB 3.95Å; K68-A87 PolarHBondContact N-O 3.21Å; K68-A87 PolarHBondContact O-N 2.88Å; K68-A87 VanDerWaalsContact O-N 3.09Å; V85-A87 VanDerWaalsContact C-N 3.34Å; V85-A87 PolarHBondContact O-N 2.73Å
88P95.2Very high94.4Very high43 Ų4355 Ų5528%0.27933%0.326SS..  trans-75.4146.1176.335-38.1000110.2V85 L93 F101V85-P88 HydrophobicContact CG1-CB 4.03Å; P88-L93 HydrophobicContact CB-CD2 3.98Å; P88-L93 HydrophobicContact CB-CG 3.93Å; P88-L93 HydrophobicContact CG-CD1 3.96Å; P88-L93 HydrophobicContact CG-CD2 3.63Å; P88-L93 HydrophobicContact CG-CG 3.79Å; P88-F101 HydrophobicContact CB-CE1 4.27Å; P88-F101 HydrophobicContact CG-CE1 3.76Å; P88-F101 HydrophobicContact CG-CZ 4.39Å
89C94.8Very high94.1Very high18 Ų1854.3 Ų54.312%0.12232%0.319CS..  trans-78157.6171.1750000111.1C65 C67 P91 C92 L93C65-C89 WeakPolarHBondContact O-CB 3.45Å; C65-C89 PolarHBondContact O-SG 3.04Å; C67-C89 PolarHBondContact SG-N 2.95Å; C89-P91 VanDerWaalsContact SG-CD 3.6Å; C89-C92 PolarHBondContact O-N 2.89Å; C89-C92 PolarHBondContact SG-N 2.93Å; C89-C92 VanDerWaalsContact SG-N 3.37Å; C89-C92 PolarHBondContact SG-SG 3.08Å; C89-L93 PolarHBondContact O-N 3.01Å
90K93.9Very high93.9Very high158 Ų15852.3 Ų52.369%0.68731%0.308SS*.Hα-helixtrans-56.7-43.1178.5-171.8179-174.9176.40113.3C92 L93 L94K90-C92 PolarHBondContact O-N 2.92Å; K90-L93 PolarHBondContact O-N 3.42Å; K90-L94 HydrophobicContact CG-CD1 3.9Å; K90-L94 HydrophobicContact CG-CG 4.36Å; K90-L94 WeakPolarHBondContact O-CG 3.31Å; K90-L94 PolarHBondContact O-N 2.94Å
91P92.5Very high93.8Very high87 Ų8753.2 Ų53.257%0.56531%0.307SS*.Hα-helixtrans-57-44.5174.5-27.534.9000114.1C89 L94 S95C89-P91 VanDerWaalsContact SG-CD 3.6Å; P91-L94 PolarHBondContact O-N 3.45Å; P91-S95 WeakPolarHBondContact O-CB 3.44Å; P91-S95 PolarHBondContact O-N 3.45Å; P91-S95 PolarHBondContact O-OG 3.47Å
92C91.4Very high93.8Very high23 Ų2354.6 Ų54.616%0.15531%0.312CS..Hα-helixtrans-66.7-38.6178.7-74.20000112L35 C89 K90 L94 S95 N97L35-C92 HydrophobicContact CD1-CB 4.24Å; C89-C92 PolarHBondContact O-N 2.89Å; C89-C92 PolarHBondContact SG-N 2.93Å; C89-C92 VanDerWaalsContact SG-N 3.37Å; C89-C92 PolarHBondContact SG-SG 3.08Å; K90-C92 PolarHBondContact O-N 2.92Å; C92-L94 VanDerWaalsContact C-N 3.31Å; C92-L94 PolarHBondContact O-N 2.68Å; C92-S95 PolarHBondContact O-N 3.2Å; C92-N97 PolarHBondContact O-ND2 2.9Å
93L90.8Very high93.7Very high94 Ų9455.4 Ų55.449%0.49232%0.316SS..Hα-helixtrans-62.5-36.4174.9-75.6175.6000113.1P88 C89 K90 N97P88-L93 HydrophobicContact CB-CD2 3.98Å; P88-L93 HydrophobicContact CB-CG 3.93Å; P88-L93 HydrophobicContact CG-CD1 3.96Å; P88-L93 HydrophobicContact CG-CD2 3.63Å; P88-L93 HydrophobicContact CG-CG 3.79Å; C89-L93 PolarHBondContact O-N 3.01Å; K90-L93 PolarHBondContact O-N 3.42Å; L93-N97 PolarHBondContact O-ND2 3.2Å
94L90.1Very high93.8Very high137 Ų13754 Ų5472%0.71731%0.31SS*.Hα-helixtrans-86.1-9.5180-64.8176.4000113.5K90 P91 C92K90-L94 HydrophobicContact CG-CD1 3.9Å; K90-L94 HydrophobicContact CG-CG 4.36Å; K90-L94 WeakPolarHBondContact O-CG 3.31Å; K90-L94 PolarHBondContact O-N 2.94Å; P91-L94 PolarHBondContact O-N 3.45Å; C92-L94 VanDerWaalsContact C-N 3.31Å; C92-L94 PolarHBondContact O-N 2.68Å
95S88.3Confident93.8Very high60 Ų6054.8 Ų54.842%0.4232%0.316SS..SBendtrans-81.8173.2176.5-64.10000111.6P91 C92 N97P91-S95 WeakPolarHBondContact O-CB 3.44Å; P91-S95 PolarHBondContact O-N 3.45Å; P91-S95 PolarHBondContact O-OG 3.47Å; C92-S95 PolarHBondContact O-N 3.2Å; S95-N97 PolarHBondContact O-N 3.07Å; S95-N97 PolarHBondContact O-ND2 3.06Å
96C87.1Confident93.8Very high83 Ų8355.8 Ų55.856%0.56132%0.324SS*.SBendtrans-7493.1173.8-168.50000110.4L35L35-C96 VanDerWaalsContact CD2-O 3.31Å; L35-C96 WeakPolarHBondContact CD2-O 3.24Å
97N89.8Confident93.8Very high48 Ų4859 Ų5926%0.25734%0.339SS..  trans-116.3163.517566.171.7000110.8F8 L35 C92 L93 S95 G99F8-N97 WeakPolarHBondContact CE2-O 3.4Å; L35-N97 HydrophobicContact CD1-CB 4.37Å; C92-N97 PolarHBondContact O-ND2 2.9Å; L93-N97 PolarHBondContact O-ND2 3.2Å; S95-N97 PolarHBondContact O-N 3.07Å; S95-N97 PolarHBondContact O-ND2 3.06Å; N97-G99 WeakPolarHBondContact OD1-CA 3.37Å; N97-G99 PolarHBondContact OD1-N 3.37Å
98N90.3Very high93.8Very high30 Ų3057.1 Ų57.116%0.1632%0.323CS..  trans-92.65.6176.364.80.5000113.2F8 M30 S44 H100F8-N98 HydrophobicContact CD1-CB 4.08Å; F8-N98 HydrophobicContact CD2-CB 4.16Å; F8-N98 HydrophobicContact CE1-CB 4.04Å; F8-N98 HydrophobicContact CE2-CB 4.12Å; F8-N98 HydrophobicContact CG-CB 4.15Å; F8-N98 HydrophobicContact CZ-CB 4.06Å; M30-N98 HydrophobicContact SD-CB 4.08Å; M30-N98 PolarHBondContact SD-ND2 3.11Å; S44-N98 PolarHBondContact OG-ND2 3.23Å; N98-H100 PolarHBondContact ND2-ND1 2.98Å; N98-H100 PolarHBondContact O-CD2 3.45Å; N98-H100 VanDerWaalsContact O-CD2 3.22Å; N98-H100 PolarHBondContact O-N 3.12Å; N98-H100 WeakPolarHBondContact OD1-CB 3.21Å; N98-H100 PolarHBondContact OD1-N 3.48Å; N98-H100 VanDerWaalsContact OD1-N 3.1Å
99G91.4Very high94Very high41 Ų4155.5 Ų55.542%0.42331%0.313SS..  trans743.8-178.900000115.6N97 F101N97-G99 WeakPolarHBondContact OD1-CA 3.37Å; N97-G99 PolarHBondContact OD1-N 3.37Å; G99-F101 WeakPolarHBondContact O-CD2 3.27Å; G99-F101 WeakPolarHBondContact O-CE2 3.46Å
100H95Very high94.2Very high24 Ų2457 Ų5711%0.11132%0.324CS..  trans-82.2140.6-179.4-59.9177.7000111.3S44 T45 N98 W125S44-H100 WeakPolarHBondContact CB-ND1 3.34Å; S44-H100 PolarHBondContact OG-ND1 3.19Å; T45-H100 WeakPolarHBondContact O-CB 3.31Å; N98-H100 PolarHBondContact ND2-ND1 2.98Å; N98-H100 PolarHBondContact O-CD2 3.45Å; N98-H100 VanDerWaalsContact O-CD2 3.22Å; N98-H100 PolarHBondContact O-N 3.12Å; N98-H100 WeakPolarHBondContact OD1-CB 3.21Å; N98-H100 PolarHBondContact OD1-N 3.48Å; N98-H100 VanDerWaalsContact OD1-N 3.1Å; H100-W125 AromaticContact CE1-CH2 3.9Å; H100-W125 AromaticContact CE1-CZ2 3.43Å; H100-W125 VanDerWaalsContact CE1-CZ2 3.43Å; H100-W125 WeakPolarHBondContact CE1-CZ2 3.49Å; H100-W125 AromaticContact NE2-CZ2 3.69Å
101F96.3Very high94.3Very high83 Ų8352.3 Ų52.336%0.36431%0.308SS..  trans-109-6.6179.3-69.9-88.7000113.4H84 V85 P88 G99H84-F101 CarbonylContact C-O 3.55Å; H84-F101 WeakPolarHBondContact CA-O 3.41Å; H84-F101 PolarHBondContact ND1-O 2.94Å; H84-F101 VanDerWaalsContact ND1-O 3.08Å; V85-F101 HydrophobicContact CB-CD1 3.92Å; V85-F101 HydrophobicContact CG1-CD1 4.13Å; V85-F101 PolarHBondContact N-O 3.44Å; V85-F101 WeakPolarHBondContact O-CD1 3.31Å; P88-F101 HydrophobicContact CB-CE1 4.27Å; P88-F101 HydrophobicContact CG-CE1 3.76Å; P88-F101 HydrophobicContact CG-CZ 4.39Å; G99-F101 WeakPolarHBondContact O-CD2 3.27Å; G99-F101 WeakPolarHBondContact O-CE2 3.46Å
102W97.8Very high94.6Very high28 Ų2853.7 Ų53.711%0.10631%0.31CS..EExtended strand (participates in β ladder)trans-114.7118.9-177.3-64.192000109.2S44 T45 P48 P49 V53 F55 I72 H84S44-W102 WeakPolarHBondContact CA-O 3.29Å; T45-W102 HydrophobicContact CG2-CB 3.5Å; T45-W102 HydrophobicContact CG2-CG 4.3Å; T45-W102 PolarHBondContact N-O 3.29Å; T45-W102 VanDerWaalsContact N-O 3.08Å; P48-W102 HydrophobicContact CB-CZ2 3.93Å; P49-W102 VanDerWaalsContact CD-CE3 3.49Å; P49-W102 HydrophobicContact CG-CD2 4.08Å; P49-W102 HydrophobicContact CG-CE3 3.71Å; P49-W102 HydrophobicContact CG-CG 4.5Å; P49-W102 HydrophobicContact CG-CZ3 4.11Å; V53-W102 HydrophobicContact CG2-CZ3 4.34Å; F55-W102 AromaticContact CE1-CH2 3.96Å; F55-W102 HydrophobicContact CE1-CH2 3.96Å; F55-W102 HydrophobicContact CE1-CZ3 4.1Å; F55-W102 HydrophobicContact CE2-CH2 4.49Å; F55-W102 AromaticContact CZ-CH2 3.66Å; F55-W102 HydrophobicContact CZ-CH2 3.66Å; F55-W102 HydrophobicContact CZ-CZ2 4.41Å; F55-W102 HydrophobicContact CZ-CZ3 4.27Å; I72-W102 HydrophobicContact CD1-CE3 4.32Å; I72-W102 HydrophobicContact CG2-CE3 4.33Å; I72-W102 HydrophobicContact CG2-CZ3 3.86Å; H84-W102 HydrophobicContact CB-CD2 4.37Å; H84-W102 HydrophobicContact CB-CE3 3.96Å; H84-W102 HydrophobicContact CB-CH2 4.48Å; H84-W102 HydrophobicContact CB-CZ3 4.04Å; H84-W102 AromaticContact CE1-CE2 3.69Å; H84-W102 AromaticContact CE1-CZ2 3.91Å; H84-W102 AromaticContact CE1-NE1 3.74Å; H84-W102 AromaticContact ND1-CD1 3.99Å; H84-W102 AromaticContact ND1-CD2 3.43Å; H84-W102 AromaticContact ND1-CE2 3.31Å; H84-W102 VanDerWaalsContact ND1-CE2 3.31Å; H84-W102 AromaticContact ND1-CE3 3.91Å; H84-W102 AromaticContact ND1-CG 3.88Å; H84-W102 AromaticContact ND1-CZ2 3.7Å; H84-W102 AromaticContact ND1-NE1 3.63Å
103M97.7Very high94.9Very high17 Ų1756.4 Ų56.48%0.08432%0.323CS..EExtended strand (participates in β ladder)trans-121.9140.1-173.2-41.4-50.7-66.500109.6L42 F43 S44 G82 Y83 V85L42-M103 HydrophobicContact CD1-CB 4.29Å; L42-M103 HydrophobicContact CD1-CE 2.97Å; L42-M103 HydrophobicContact CG-CE 4.42Å; F43-M103 CarbonylContact O-C 3.45Å; F43-M103 VanDerWaalsContact O-CA 3.31Å; F43-M103 WeakPolarHBondContact O-CA 3.47Å; S44-M103 VanDerWaalsContact CB-CE 3.42Å; G82-M103 CarbonylContact C-O 3.54Å; G82-M103 VanDerWaalsContact CA-O 3.27Å; G82-M103 WeakPolarHBondContact CA-O 3.43Å; Y83-M103 HydrophobicContact CD1-CB 4.35Å; Y83-M103 HydrophobicContact CD2-CB 4.06Å; Y83-M103 HydrophobicContact CD2-CG 3.95Å; Y83-M103 HydrophobicContact CE1-CB 3.9Å; Y83-M103 HydrophobicContact CE1-CG 4.48Å; Y83-M103 HydrophobicContact CE2-CB 3.6Å; Y83-M103 HydrophobicContact CE2-CG 3.29Å; Y83-M103 HydrophobicContact CG-CB 4.41Å; Y83-M103 VanDerWaalsContact CZ-CB 3.49Å; Y83-M103 PolarHBondContact N-O 3.42Å; Y83-M103 PolarHBondContact O-N 3.31Å; V85-M103 HydrophobicContact CG2-CG 4.45Å
104F98.3Very high95.2Very high0 Ų056 Ų560%032%0.315CS..EExtended strand (participates in β ladder)trans-116.6130.4175.3-58.9-78.3000109.4V16 L25 C26 L42 F43 T45 P49 V53 I72 V81 V109V16-F104 HydrophobicContact CG1-CB 4.39Å; V16-F104 HydrophobicContact CG1-CD2 4.24Å; V16-F104 HydrophobicContact CG1-CG 4.19Å; L25-F104 HydrophobicContact CB-CE1 4.01Å; L25-F104 HydrophobicContact CB-CZ 4.26Å; L25-F104 HydrophobicContact CD1-CD1 4.01Å; L25-F104 HydrophobicContact CD1-CE1 4.04Å; C26-F104 HydrophobicContact CB-CE2 4.45Å; C26-F104 HydrophobicContact CB-CZ 4.49Å; L42-F104 WeakPolarHBondContact CB-O 3.49Å; F43-F104 HydrophobicContact CB-CB 4.28Å; F43-F104 PolarHBondContact N-O 3.32Å; F43-F104 PolarHBondContact O-N 3.04Å; T45-F104 HydrophobicContact CG2-CE2 3.71Å; T45-F104 HydrophobicContact CG2-CZ 4.2Å; P49-F104 HydrophobicContact CB-CZ 4.39Å; P49-F104 HydrophobicContact CG-CZ 4.15Å; V53-F104 HydrophobicContact CG1-CE1 4.3Å; I72-F104 HydrophobicContact CD1-CD1 4.24Å; I72-F104 HydrophobicContact CD1-CE1 3.94Å; V81-F104 HydrophobicContact CG2-CD1 4.28Å; V81-F104 HydrophobicContact CG2-CE1 4.48Å; V81-F104 CarbonylContact O-C 3.54Å; V81-F104 WeakPolarHBondContact O-CA 3.37Å; F104-V109 HydrophobicContact CB-CG1 3.79Å; F104-V109 HydrophobicContact CB-CG2 4.14Å; F104-V109 HydrophobicContact CD1-CG1 4.29Å; F104-V109 HydrophobicContact CG-CG1 4.32Å
105N97.8Very high95.6Very high51 Ų5154 Ų5427%0.27330%0.304SS..EExtended strand (participates in β ladder)trans-74131.2-179.6-61.3-24.5000109.6V81 D107 A108 V109V81-N105 PolarHBondContact O-N 3.32Å; N105-D107 WeakPolarHBondContact CB-OD1 3.36Å; N105-D107 PolarHBondContact O-N 3.31Å; N105-D107 VanDerWaalsContact O-N 3.16Å; N105-A108 HydrophobicContact CB-CB 4.28Å; N105-A108 PolarHBondContact O-N 3.16Å; N105-V109 WeakPolarHBondContact O-CG2 3.32Å; N105-V109 PolarHBondContact O-N 3.33Å
106S96.9Very high95.9Very high42 Ų4252.9 Ų52.929%0.29429%0.294SS..THydrogen-bonded Turntrans-62.5-23.5-175.7-64.20000114E41 L42 A108E41-S106 WeakPolarHBondContact O-CB 3.35Å; E41-S106 PolarHBondContact O-OG 3.27Å; L42-S106 VanDerWaalsContact CA-OG 3.25Å; L42-S106 WeakPolarHBondContact CA-OG 3.34Å; L42-S106 PolarHBondContact N-OG 2.78Å; S106-A108 VanDerWaalsContact C-N 3.3Å
107D97.1Very high96.2Very high128 Ų12854.5 Ų54.568%0.68431%0.313SS*.THydrogen-bonded Turntrans-82.7-5.4176.265.2-16000113.5I19 N105I19-D107 WeakPolarHBondContact CD1-O 3.46Å; N105-D107 WeakPolarHBondContact CB-OD1 3.36Å; N105-D107 PolarHBondContact O-N 3.31Å; N105-D107 VanDerWaalsContact O-N 3.16Å
108A98.1Very high96.4Very high4 Ų456.4 Ų56.43%0.03333%0.327CS..THydrogen-bonded Turntrans-117.5-3.9-179.700000113.2I19 F20 N105 S106I19-A108 PolarHBondContact N-O 3Å; F20-A108 HydrophobicContact CE2-CB 3.99Å; F20-A108 HydrophobicContact CZ-CB 4.43Å; N105-A108 HydrophobicContact CB-CB 4.28Å; N105-A108 PolarHBondContact O-N 3.16Å; S106-A108 VanDerWaalsContact C-N 3.3Å
109V98.4Very high96.6Very high10 Ų1056.9 Ų56.96%0.06134%0.338CS..EExtended strand (participates in β ladder)trans-132.1147.9179.5-56.60000113.6V16 N17 L25 F43 V81 F104 N105 T111V16-V109 HydrophobicContact CG1-CB 3.54Å; V16-V109 HydrophobicContact CG1-CG1 3.72Å; V16-V109 HydrophobicContact CG1-CG2 3.74Å; N17-V109 CarbonylContact O-C 3.55Å; N17-V109 WeakPolarHBondContact O-CA 3.31Å; N17-V109 WeakPolarHBondContact O-CB 3.06Å; L25-V109 HydrophobicContact CD1-CG1 3.68Å; F43-V109 HydrophobicContact CD2-CG2 3.94Å; V81-V109 HydrophobicContact CB-CG1 4.43Å; F104-V109 HydrophobicContact CB-CG1 3.79Å; F104-V109 HydrophobicContact CB-CG2 4.14Å; F104-V109 HydrophobicContact CD1-CG1 4.29Å; F104-V109 HydrophobicContact CG-CG1 4.32Å; N105-V109 WeakPolarHBondContact O-CG2 3.32Å; N105-V109 PolarHBondContact O-N 3.33Å; V109-T111 HydrophobicContact CG2-CG2 4.39Å
110S98.3Very high96.7Very high50 Ų5061.9 Ų61.935%0.3536%0.355SS..EExtended strand (participates in β ladder)trans-106.4152.6165.659.70000109.2N17 I19N17-S110 PolarHBondContact N-O 2.94Å; N17-S110 PolarHBondContact O-N 2.84Å; I19-S110 VanDerWaalsContact CG2-N 3.33Å
111T97.9Very high96.8Very high59 Ų5965.3 Ų65.336%0.36237%0.374SS..EExtended strand (participates in β ladder)trans-136.3147.6-175.1650000113.5Q15 V16 F43 V109Q15-T111 WeakPolarHBondContact O-CA 3.13Å; Q15-T111 WeakPolarHBondContact O-CB 3.26Å; V16-T111 HydrophobicContact CG1-CG2 4.38Å; V16-T111 HydrophobicContact CG2-CG2 4.11Å; F43-T111 HydrophobicContact CD1-CG2 3.81Å; F43-T111 HydrophobicContact CD2-CG2 3.81Å; F43-T111 HydrophobicContact CE1-CG2 3.54Å; F43-T111 HydrophobicContact CE2-CG2 3.55Å; F43-T111 HydrophobicContact CG-CG2 3.93Å; F43-T111 HydrophobicContact CZ-CG2 3.4Å; F43-T111 WeakPolarHBondContact CZ-OG1 3.28Å; V109-T111 HydrophobicContact CG2-CG2 4.39Å
112L97.4Very high96.9Very high115 Ų11565 Ų6560%0.60238%0.376SS*.EExtended strand (participates in β ladder)trans-131.1121.9173.5-179.167000109.4A14 Q15 R114A14-L112 CarbonylContact C-O 3.5Å; A14-L112 WeakPolarHBondContact CA-O 3.44Å; Q15-L112 PolarHBondContact N-O 2.88Å; Q15-L112 PolarHBondContact O-N 2.62Å; L112-R114 PolarHBondContact O-N 3.17Å
113N97.9Very high96.8Very high81 Ų8164.6 Ų64.643%0.43338%0.375SS..EExtended strand (participates in β ladder)trans-62.1133.1173.9-71.8-26.1000110L122N113-L122 HydrophobicContact CB-CD2 3.9Å
114R97.6Very high96.8Very high84 Ų8466.3 Ų66.332%0.31738%0.384SS..PPolyproline II helixtrans-80.7147.4178.3-68.6-179.460.2-164.8-4.7110.2V13 Q15 T27 L112 L122 L123V13-R114 PolarHBondContact O-N 3Å; Q15-R114 HydrophobicContact CB-CG 4.47Å; T27-R114 WeakPolarHBondContact O-CD 3.29Å; T27-R114 PolarHBondContact O-NH1 2.94Å; L112-R114 PolarHBondContact O-N 3.17Å; R114-L122 WeakPolarHBondContact O-CA 3.32Å; R114-L123 HydrophobicContact CB-CB 4.17Å; R114-L123 HydrophobicContact CB-CD2 4.24Å; R114-L123 PolarHBondContact O-N 2.95Å
115L97.3Very high96.7Very high95 Ų9568 Ų6850%0.49739%0.391SS..BIsolated β-bridgetrans-89.7153.5169.8-60171.1000110.1N121 L122L115-N121 CarbonylContact C-O 3.53Å; L115-N121 WeakPolarHBondContact CA-O 3.33Å; L115-N121 WeakPolarHBondContact CD2-O 3.31Å; L115-L122 HydrophobicContact CD2-CD2 4.08Å
116D95.4Very high96.5Very high38 Ų3867.4 Ų67.420%0.20340%0.397CS..  trans-67.4177.6170.271.214.7000111.5T118 G119 N121 L123D116-T118 VanDerWaalsContact CG-OG1 3.32Å; D116-T118 PolarHBondContact O-N 2.96Å; D116-T118 VanDerWaalsContact O-N 3.12Å; D116-T118 WeakPolarHBondContact OD1-CA 3.3Å; D116-T118 VanDerWaalsContact OD1-CB 3.3Å; D116-T118 WeakPolarHBondContact OD1-CB 3.24Å; D116-T118 PolarHBondContact OD1-N 3.18Å; D116-T118 PolarHBondContact OD1-OG1 2.91Å; D116-T118 PolarHBondContact OD2-OG1 3.05Å; D116-G119 PolarHBondContact O-N 2.8Å; D116-G119 PolarHBondContact OD1-N 2.8Å; D116-N121 PolarHBondContact N-O 3.09Å; D116-N121 WeakPolarHBondContact OD2-CB 3.37Å; D116-N121 PolarHBondContact OD2-ND2 2.87Å; D116-L123 HydrophobicContact CB-CD1 4.5Å
117A92.9Very high96.3Very high116 Ų11670.7 Ų70.796%0.95941%0.411SS*.THydrogen-bonded Turntrans-63.1-17.5-18000000114
118T95Very high96.1Very high89 Ų8965.7 Ų65.755%0.54639%0.385SS..THydrogen-bonded Turntrans-81.4-21.5175.678.90000111.9D116 L120D116-T118 VanDerWaalsContact CG-OG1 3.32Å; D116-T118 PolarHBondContact O-N 2.96Å; D116-T118 VanDerWaalsContact O-N 3.12Å; D116-T118 WeakPolarHBondContact OD1-CA 3.3Å; D116-T118 VanDerWaalsContact OD1-CB 3.3Å; D116-T118 WeakPolarHBondContact OD1-CB 3.24Å; D116-T118 PolarHBondContact OD1-N 3.18Å; D116-T118 PolarHBondContact OD1-OG1 2.91Å; D116-T118 PolarHBondContact OD2-OG1 3.05Å; T118-L120 PolarHBondContact O-N 3.15Å; T118-L120 WeakPolarHBondContact OG1-CB 3.49Å; T118-L120 PolarHBondContact OG1-N 2.87Å
119G94.1Very high95.7Very high39 Ų3970 Ų7040%0.40241%0.412SS..SBendtrans73.67.6-174.400000113.9D116D116-G119 PolarHBondContact O-N 2.8Å; D116-G119 PolarHBondContact OD1-N 2.8Å
120L94Very high95.1Very high146 Ų14678.3 Ų78.376%0.76445%0.451SS*.SBendtrans-104.7-29.7-175.6-60.9176.4000113T118T118-L120 PolarHBondContact O-N 3.15Å; T118-L120 WeakPolarHBondContact OG1-CB 3.49Å; T118-L120 PolarHBondContact OG1-N 2.87Å
121N96.7Very high94.3Very high97 Ų9779.8 Ų79.852%0.51945%0.454SS..SBendtrans-118.3161.5179.9-46.5-73.4000111.6L115 D116L115-N121 CarbonylContact C-O 3.53Å; L115-N121 WeakPolarHBondContact CA-O 3.33Å; L115-N121 WeakPolarHBondContact CD2-O 3.31Å; D116-N121 PolarHBondContact N-O 3.09Å; D116-N121 WeakPolarHBondContact OD2-CB 3.37Å; D116-N121 PolarHBondContact OD2-ND2 2.87Å
122L97.4Very high93Very high77 Ų7783.5 Ų83.540%0.40347%0.472SS..BIsolated β-bridgetrans-69133.6169.4-58.8-177.3000109.7N113 R114 L115 L124N113-L122 HydrophobicContact CB-CD2 3.9Å; R114-L122 WeakPolarHBondContact O-CA 3.32Å; L115-L122 HydrophobicContact CD2-CD2 4.08Å; L122-L124 PolarHBondContact O-N 3.32Å
123L97.4Very high91Very high19 Ų1985.7 Ų85.710%0.09948%0.484CS..PPolyproline II helixtrans-66126.5172.8-179.562.5000109.2C12 V13 R114 D116 D127 L128C12-L123 WeakPolarHBondContact CA-O 3.46Å; V13-L123 HydrophobicContact CB-CB 4.33Å; V13-L123 HydrophobicContact CB-CD2 4.03Å; V13-L123 HydrophobicContact CB-CG 4.09Å; V13-L123 HydrophobicContact CG1-CD2 4.3Å; V13-L123 HydrophobicContact CG2-CB 4.35Å; V13-L123 HydrophobicContact CG2-CD2 4.03Å; V13-L123 HydrophobicContact CG2-CG 3.76Å; V13-L123 PolarHBondContact N-O 2.82Å; R114-L123 HydrophobicContact CB-CB 4.17Å; R114-L123 HydrophobicContact CB-CD2 4.24Å; R114-L123 PolarHBondContact O-N 2.95Å; D116-L123 HydrophobicContact CB-CD1 4.5Å; L123-D127 HydrophobicContact CD1-CB 4.21Å; L123-L128 HydrophobicContact CD2-CD2 3.86Å; L123-L128 HydrophobicContact CG-CD2 4.43Å
124L96.8Very high88.8Confident52 Ų5286.4 Ų86.427%0.27250%0.495SS..BIsolated β-bridgetrans-99.1153.5176.9-53.6-178.8000111K11 L122 G126 D127K11-L124 CarbonylContact O-C 3.58Å; K11-L124 WeakPolarHBondContact O-CA 3.47Å; L122-L124 PolarHBondContact O-N 3.32Å; L124-G126 PolarHBondContact O-N 3.08Å; L124-D127 WeakPolarHBondContact CB-OD2 3.22Å; L124-D127 PolarHBondContact O-N 3.48Å; L124-D127 VanDerWaalsContact O-N 3.08Å
125W95.4Very high86.4Confident35 Ų3591 Ų9113%0.13352%0.52CS..G310 helixtrans-61.8-33.6-178.8-151.6-91.6000112.7F8 K9 K11 V13 R28 G29 M30 D46 H100 D127 L128F8-W125 WeakPolarHBondContact O-CB 3.08Å; K9-W125 PolarHBondContact O-N 3.31Å; K11-W125 PolarHBondContact O-N 2.82Å; V13-W125 HydrophobicContact CB-CE3 4.33Å; V13-W125 HydrophobicContact CB-CZ3 4.47Å; V13-W125 HydrophobicContact CG1-CE3 4.36Å; V13-W125 HydrophobicContact CG1-CZ3 4.07Å; V13-W125 HydrophobicContact CG2-CE3 3.74Å; V13-W125 HydrophobicContact CG2-CZ3 4.29Å; R28-W125 HydrophobicContact CB-CH2 4.03Å; R28-W125 VanDerWaalsContact O-CH2 3.29Å; R28-W125 WeakPolarHBondContact O-CH2 3.19Å; G29-W125 WeakPolarHBondContact O-CZ3 3.38Å; M30-W125 HydrophobicContact CB-CE3 4.01Å; M30-W125 HydrophobicContact CB-CH2 3.91Å; M30-W125 HydrophobicContact CB-CZ3 3.66Å; M30-W125 HydrophobicContact CE-CB 4.16Å; M30-W125 HydrophobicContact CE-CD2 3.21Å; M30-W125 HydrophobicContact CE-CE3 3.69Å; M30-W125 HydrophobicContact CE-CG 3.4Å; M30-W125 VanDerWaalsContact CE-CG 3.4Å; M30-W125 HydrophobicContact CE-CH2 4.38Å; M30-W125 HydrophobicContact CE-CZ2 3.98Å; M30-W125 HydrophobicContact CE-CZ3 4.27Å; M30-W125 HydrophobicContact CG-CE3 4.47Å; D46-W125 HydrophobicContact CB-CZ2 4.13Å; H100-W125 AromaticContact CE1-CH2 3.9Å; H100-W125 AromaticContact CE1-CZ2 3.43Å; H100-W125 VanDerWaalsContact CE1-CZ2 3.43Å; H100-W125 WeakPolarHBondContact CE1-CZ2 3.49Å; H100-W125 AromaticContact NE2-CZ2 3.69Å; W125-D127 PolarHBondContact O-N 3.06Å; W125-L128 HydrophobicContact CD2-CD1 3.6Å; W125-L128 HydrophobicContact CE3-CD1 3.78Å; W125-L128 HydrophobicContact CG-CD1 4.03Å; W125-L128 HydrophobicContact CH2-CD1 4.34Å; W125-L128 HydrophobicContact CZ2-CD1 4.22Å; W125-L128 HydrophobicContact CZ3-CD1 4.12Å; W125-L128 WeakPolarHBondContact O-CB 3.37Å; W125-L128 PolarHBondContact O-N 2.92Å
126G93.4Very high83.9Confident40 Ų4092.6 Ų92.641%0.41253%0.529SS..G310 helixtrans-66.2-16.2177.100000114.5K9 L124K9-G126 PolarHBondContact O-N 2.57Å; L124-G126 PolarHBondContact O-N 3.08Å
127D94.1Very high81.3Confident110 Ų11099.5 Ų99.559%0.58856%0.56SS**G310 helixtrans-102.21.2-178.7-54.3-42.7000112.5L123 L124 W125L123-D127 HydrophobicContact CD1-CB 4.21Å; L124-D127 WeakPolarHBondContact CB-OD2 3.22Å; L124-D127 PolarHBondContact O-N 3.48Å; L124-D127 VanDerWaalsContact O-N 3.08Å; W125-D127 PolarHBondContact O-N 3.06Å
128L92.7Very high79Confident24 Ų24103.3 Ų103.313%0.12656%0.558CS.*SBendtrans-71.5144.6176.1-75.5171.7000110.9V13 R28 L123 W125V13-L128 HydrophobicContact CG1-CD1 4.25Å; V13-L128 HydrophobicContact CG1-CD2 4.31Å; V13-L128 HydrophobicContact CG2-CD1 3.63Å; V13-L128 HydrophobicContact CG2-CD2 4.03Å; V13-L128 HydrophobicContact CG2-CG 3.81Å; R28-L128 HydrophobicContact CG-CD1 4.49Å; R28-L128 HydrophobicContact CG-CD2 4.47Å; L123-L128 HydrophobicContact CD2-CD2 3.86Å; L123-L128 HydrophobicContact CG-CD2 4.43Å; W125-L128 HydrophobicContact CD2-CD1 3.6Å; W125-L128 HydrophobicContact CE3-CD1 3.78Å; W125-L128 HydrophobicContact CG-CD1 4.03Å; W125-L128 HydrophobicContact CH2-CD1 4.34Å; W125-L128 HydrophobicContact CZ2-CD1 4.22Å; W125-L128 HydrophobicContact CZ3-CD1 4.12Å; W125-L128 WeakPolarHBondContact O-CB 3.37Å; W125-L128 PolarHBondContact O-N 2.92Å
129P90.3Very high76.6Confident94 Ų94104.1 Ų104.161%0.6157%0.568SS**PPolyproline II helixtrans-62.5146.3169.528.1-33.6000109.8R28R28-P129 PolarHBondContact NH1-O 3.38Å; R28-P129 VanDerWaalsContact NH1-O 3.13Å; R28-P129 PolarHBondContact NH2-O 3Å
130E84.4Confident73.9Confident185 Ų185111.2 Ų111.286%0.86459%0.591SS**PPolyproline II helixtrans-60.4148.8167.9-65-174.7175.700109.3
131L82.5Confident71Confident81 Ų81109.1 Ų109.142%0.42459%0.588SS.*PPolyproline II helixtrans-80.7127.8176.9-57.7176.3000107.7I47I47-L131 HydrophobicContact CD1-CD2 3.45Å; I47-L131 VanDerWaalsContact CD1-CD2 3.45Å; I47-L131 HydrophobicContact CG1-CD1 3.76Å; I47-L131 HydrophobicContact CG1-CD2 3.62Å; I47-L131 HydrophobicContact CG1-CG 4.36Å
132D70.4Confident68.3Low137 Ų137110.2 Ų110.273%0.73360%0.601SS**PPolyproline II helixtrans-70.9132.5170.8-69-31.2000108.8S134D132-S134 PolarHBondContact O-N 2.95Å
133D56.3Low65.6Low160 Ų160111.2 Ų111.286%0.85661%0.614SS**G310 helixtrans-65.93-178-71.5-42.7000114.4
134S51Low63.2Low96 Ų96120 Ų12067%0.67165%0.654SS**G310 helixtrans-85.5-7.9-165.152.10000115.9D132D132-S134 PolarHBondContact O-N 2.95Å
135E47.2Very low60.9Low180 Ų180125.7 Ų125.784%0.84168%0.68SS**G310 helixtrans-1019.1-177.4-62.5-167.2162.700114.5
136N43.8Very low58.5Low129 Ų129132.7 Ų132.769%0.6971%0.714SS**  trans-97.47.4-172.9-122.5-1.4000115.2E138N136-E138 PolarHBondContact O-N 3.46Å
137E41.6Very low56.3Low183 Ų183137.1 Ų137.186%0.85574%0.737SS**  trans-9165.7177.9-65.2-146.3177.100113
138E45.4Very low54.2Low196 Ų196139.3 Ų139.392%0.91675%0.747SS**  trans-133.866.2151.4-87.1-177.5-17900108.3N136 E140N136-E138 PolarHBondContact O-N 3.46Å; E138-E140 PolarHBondContact O-N 3.26Å
139S43.4Very low51.7Low106 Ų106153 Ų15374%0.74180%0.797SS**  trans-92.174.2166.152.70000109.6S141S139-S141 VanDerWaalsContact C-N 3.34Å; S139-S141 PolarHBondContact O-N 3.05Å
140E38.7Very low49.8Very low189 Ų189156 Ų15688%0.88381%0.806SS**  trans-68.3100155.4-77.1-169.116200107.5E138 P142E138-E140 PolarHBondContact O-N 3.26Å; E140-P142 WeakPolarHBondContact O-CD 3.35Å
141S32.6Very low48Very low102 Ų102154.4 Ų154.471%0.71380%0.803SS**  trans-66.7123.3166.347.40000109.3S139 S143S139-S141 VanDerWaalsContact C-N 3.34Å; S139-S141 PolarHBondContact O-N 3.05Å; S141-S143 PolarHBondContact O-N 2.83Å
142P39.4Very low46.1Very low120 Ų120158.5 Ų158.578%0.77982%0.824SS**  trans-70.9114.6156.6-7.925.3000106.4E140 E144E140-P142 WeakPolarHBondContact O-CD 3.35Å; P142-E144 PolarHBondContact O-N 3.45Å
143S40.1Very low44.6Very low97 Ų97159.8 Ų159.868%0.67883%0.83SS**  trans-41131.8170.347.80000112.1S141 E145S141-S143 PolarHBondContact O-N 2.83Å; S143-E145 PolarHBondContact O-N 3.23Å
144E47.2Very low43.9Very low203 Ų203159.8 Ų159.895%0.94983%0.828SS**SBendtrans-70.650.3178.6-60.2-176.6127.400113.4P142P142-E144 PolarHBondContact O-N 3.45Å
145E49.6Very low43.4Very low173 Ų173164 Ų16481%0.80884%0.838SS**  trans-142.669-174.4-118.5161.9152.100113.1S143S143-E145 PolarHBondContact O-N 3.23Å
146E45.4Very low43.2Very low182 Ų182162.9 Ų162.985%0.8584%0.838SS**  trans-162.474.8143.9-115.1-179.9159.400110.6
147C47Very low43.1Very low133 Ų133165.5 Ų165.590%0.89985%0.85SS**  trans-124.255.1165.6-107.30000110.8
148I49.8Very low43.3Very low155 Ų155164 Ų16480%0.79585%0.849SS**  trans-152.8106153.7-53.3-179.1000107.7
149R40.6Very low43.1Very low312 Ų312161.1 Ų161.1100%1.17784%0.843SS**  trans-163.30133.6-76.7-146.2177.8117.85.5110

Retrieved 149 of 149 residues in 25.3 ms (Link to these results)

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