A0A096MVN5_PAPAN Loading...

Defensin beta 136

AlphaFold DB , UniProt , Accession A0A096MVN5, Species PAPAN (Papio anubis, Olive baboon), Gene DEFB136, Length 78 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.6Low79Confident228 Ų228118.7 Ų118.7100%1.12364%0.635SS**  0770-68.1151.663.700109.4
2N61.9Low79.4Confident130 Ų130116.7 Ų116.770%0.69562%0.623SS**  trans-131.8-4.9177.8-78.7-31.2000112.7H4 L5 S6N2-H4 PolarHBondContact O-N 3.21Å; N2-L5 PolarHBondContact O-N 3.29Å; N2-S6 PolarHBondContact O-N 3.43Å
3L67.4Low79.4Confident150 Ų150115.3 Ų115.379%0.78562%0.621SS**Hα-helixtrans-65.4-37.3-178.6-111.379.9000112.4L5 S6 A7L3-L5 VanDerWaalsContact C-N 3.34Å; L3-L5 PolarHBondContact O-N 2.76Å; L3-S6 PolarHBondContact O-N 2.91Å; L3-A7 WeakPolarHBondContact O-CB 3.29Å; L3-A7 PolarHBondContact O-N 3.3Å
4H79.4Confident79.4Confident166 Ų166116.5 Ų116.577%0.76963%0.625SS**Hα-helixtrans-64.1-38.5-179.8-70.2-67.1000112.6N2 L8N2-H4 PolarHBondContact O-N 3.21Å; H4-L8 VanDerWaalsContact O-CB 3.25Å; H4-L8 WeakPolarHBondContact O-CB 3.19Å; H4-L8 PolarHBondContact O-N 3.02Å
5L84.1Confident79.2Confident104 Ų104117.2 Ų117.255%0.54563%0.628SS.*Hα-helixtrans-69.3-41.5177.8-17164.6000110.9N2 L3 L8 L9N2-L5 PolarHBondContact O-N 3.29Å; L3-L5 VanDerWaalsContact C-N 3.34Å; L3-L5 PolarHBondContact O-N 2.76Å; L5-L8 PolarHBondContact O-N 3.3Å; L5-L9 HydrophobicContact CG-CD1 4.2Å; L5-L9 WeakPolarHBondContact O-CB 3.31Å; L5-L9 VanDerWaalsContact O-CG 3.22Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 3.14Å
6S85.8Confident78.3Confident70 Ų70117.1 Ų117.149%0.4963%0.626SS.*Hα-helixtrans-65-41.9177.2-166.20000112.2N2 L3 L9 L10N2-S6 PolarHBondContact O-N 3.43Å; L3-S6 PolarHBondContact O-N 2.91Å; S6-L9 PolarHBondContact O-N 3.49Å; S6-L10 WeakPolarHBondContact O-CG 3.41Å; S6-L10 PolarHBondContact O-N 3.49Å
7A86.8Confident77Confident59 Ų59115.5 Ų115.549%0.48862%0.624SS.*Hα-helixtrans-65-40.7174.700000112.5L3 L10 L11L3-A7 WeakPolarHBondContact O-CB 3.29Å; L3-A7 PolarHBondContact O-N 3.3Å; A7-L10 PolarHBondContact O-N 3.23Å; A7-L11 WeakPolarHBondContact O-CB 3.29Å; A7-L11 PolarHBondContact O-N 3.01Å
8L90.8Very high75.9Confident92 Ų92115.6 Ų115.648%0.48264%0.635SS.*Hα-helixtrans-64.1-42.5176.5-176.866.1000111.8H4 L5 L11 L12H4-L8 VanDerWaalsContact O-CB 3.25Å; H4-L8 WeakPolarHBondContact O-CB 3.19Å; H4-L8 PolarHBondContact O-N 3.02Å; L5-L8 PolarHBondContact O-N 3.3Å; L8-L11 PolarHBondContact O-N 3.26Å; L8-L12 HydrophobicContact CG-CD1 4.15Å; L8-L12 WeakPolarHBondContact O-CB 3.36Å; L8-L12 WeakPolarHBondContact O-CG 3.35Å; L8-L12 PolarHBondContact O-N 2.78Å
9L86.8Confident74.7Confident98 Ų98111.8 Ų111.851%0.51363%0.625SS.*Hα-helixtrans-63.5-41.9176.7-72.6167.3000111.6L5 S6 L12 V13L5-L9 HydrophobicContact CG-CD1 4.2Å; L5-L9 WeakPolarHBondContact O-CB 3.31Å; L5-L9 VanDerWaalsContact O-CG 3.22Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 3.14Å; S6-L9 PolarHBondContact O-N 3.49Å; L9-L12 PolarHBondContact O-N 3.03Å; L9-V13 WeakPolarHBondContact O-CG2 3.42Å; L9-V13 PolarHBondContact O-N 2.92Å
10L85.6Confident73.6Confident108 Ų108115 Ų11557%0.56563%0.632SS**Hα-helixtrans-62.9-44.2174.3-74.9165.6000111.7S6 A7 L12 V13 I14S6-L10 WeakPolarHBondContact O-CG 3.41Å; S6-L10 PolarHBondContact O-N 3.49Å; A7-L10 PolarHBondContact O-N 3.23Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-L12 PolarHBondContact O-N 3.45Å; L10-V13 PolarHBondContact O-N 3.11Å; L10-I14 WeakPolarHBondContact O-CD1 3.5Å; L10-I14 VanDerWaalsContact O-CG1 3.23Å; L10-I14 WeakPolarHBondContact O-CG1 3.33Å; L10-I14 PolarHBondContact O-N 2.97Å; L10-I14 VanDerWaalsContact O-N 3.08Å
11L86.6Confident72.8Confident101 Ų101111.9 Ų111.953%0.52963%0.626SS.*Hα-helixtrans-59.2-44.5176.9-166.284000111.4A7 L8 V13 I14 L15A7-L11 WeakPolarHBondContact O-CB 3.29Å; A7-L11 PolarHBondContact O-N 3.01Å; L8-L11 PolarHBondContact O-N 3.26Å; L11-V13 PolarHBondContact O-N 2.82Å; L11-I14 PolarHBondContact O-N 3.07Å; L11-L15 HydrophobicContact CG-CD1 4.37Å; L11-L15 WeakPolarHBondContact O-CG 3.46Å; L11-L15 PolarHBondContact O-N 3.36Å; L11-L15 VanDerWaalsContact O-N 3.12Å
12L83.8Confident73Confident94 Ų94105.2 Ų105.249%0.49259%0.593SS.*Hα-helixtrans-60.3-44.9176.8-79.1159.8000111.6L8 L9 L10 I14 L15 L16L8-L12 HydrophobicContact CG-CD1 4.15Å; L8-L12 WeakPolarHBondContact O-CB 3.36Å; L8-L12 WeakPolarHBondContact O-CG 3.35Å; L8-L12 PolarHBondContact O-N 2.78Å; L9-L12 PolarHBondContact O-N 3.03Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-L12 PolarHBondContact O-N 3.45Å; L12-I14 VanDerWaalsContact C-N 3.33Å; L12-I14 PolarHBondContact O-N 3.31Å; L12-L15 PolarHBondContact O-N 2.92Å; L12-L16 WeakPolarHBondContact O-CD1 3.03Å; L12-L16 PolarHBondContact O-N 2.89Å
13V80.3Confident73Confident99 Ų99102.4 Ų102.460%0.658%0.575SS**Hα-helixtrans-60.5-40.2177.9171.90000112L9 L10 L11 L15 L16L9-V13 WeakPolarHBondContact O-CG2 3.42Å; L9-V13 PolarHBondContact O-N 2.92Å; L10-V13 PolarHBondContact O-N 3.11Å; L11-V13 PolarHBondContact O-N 2.82Å; V13-L15 VanDerWaalsContact C-N 3.33Å; V13-L16 PolarHBondContact O-N 2.95Å
14I78.4Confident72.8Confident132 Ų13298.7 Ų98.768%0.67757%0.573SS**Hα-helixtrans-70.7-31179.9-59.8158.6000111.6L10 L11 L12 L16L10-I14 WeakPolarHBondContact O-CD1 3.5Å; L10-I14 VanDerWaalsContact O-CG1 3.23Å; L10-I14 WeakPolarHBondContact O-CG1 3.33Å; L10-I14 PolarHBondContact O-N 2.97Å; L10-I14 VanDerWaalsContact O-N 3.08Å; L11-I14 PolarHBondContact O-N 3.07Å; L12-I14 VanDerWaalsContact C-N 3.33Å; L12-I14 PolarHBondContact O-N 3.31Å; I14-L16 VanDerWaalsContact C-N 3.28Å; I14-L16 PolarHBondContact O-N 3.17Å
15L77.1Confident72.6Confident127 Ų12794.4 Ų94.467%0.66556%0.556SS**Hα-helixtrans-76.1-12.4177.2-71.9170.1000113.5L11 L12 V13 P17L11-L15 HydrophobicContact CG-CD1 4.37Å; L11-L15 WeakPolarHBondContact O-CG 3.46Å; L11-L15 PolarHBondContact O-N 3.36Å; L11-L15 VanDerWaalsContact O-N 3.12Å; L12-L15 PolarHBondContact O-N 2.92Å; V13-L15 VanDerWaalsContact C-N 3.33Å; L15-P17 WeakPolarHBondContact O-CD 3.23Å
16L64.6Low72.4Confident115 Ų11596.6 Ų96.660%0.60257%0.568SS**SBendtrans-64.9126.3172.6-82.8114.5000109.1L12 V13 I14 S18L12-L16 WeakPolarHBondContact O-CD1 3.03Å; L12-L16 PolarHBondContact O-N 2.89Å; V13-L16 PolarHBondContact O-N 2.95Å; I14-L16 VanDerWaalsContact C-N 3.28Å; I14-L16 PolarHBondContact O-N 3.17Å; L16-S18 PolarHBondContact O-N 2.03Å
17P56.8Low72.5Confident91 Ų9194.3 Ų94.359%0.59156%0.556SS**  trans-63.9101.4178.525.3-32.3000108.9L15 G19 K20L15-P17 WeakPolarHBondContact O-CD 3.23Å; P17-G19 PolarHBondContact O-N 3.41Å; P17-K20 HydrophobicContact CB-CG 4.17Å; P17-K20 HydrophobicContact CG-CG 4.14Å; P17-K20 PolarHBondContact O-N 3.46Å
18S57.1Low72.6Confident117 Ų11795.1 Ų95.182%0.81855%0.554SS**THydrogen-bonded Turntrans-61.7-14.3176.913.70000112.2L16L16-S18 PolarHBondContact O-N 2.03Å
19G52.6Low72.7Confident43 Ų4399.1 Ų99.144%0.44357%0.568SS.*THydrogen-bonded Turntrans-86.6-21.2-178.100000116.4P17 G21 M22P17-G19 PolarHBondContact O-N 3.41Å; G19-G21 VanDerWaalsContact C-N 3.29Å; G19-G21 PolarHBondContact O-N 2.82Å; G19-M22 PolarHBondContact O-N 3.44Å
20K52.8Low73Confident175 Ų17595.2 Ų95.276%0.76155%0.548SS*.THydrogen-bonded Turntrans-74.7-15.9-174.3-71.7-121.5-177.5-175.80114.1P17P17-K20 HydrophobicContact CB-CG 4.17Å; P17-K20 HydrophobicContact CG-CG 4.14Å; P17-K20 PolarHBondContact O-N 3.46Å
21G56.1Low73.4Confident50 Ų50101.1 Ų101.152%0.51556%0.563SS.*THydrogen-bonded Turntrans-88.8-19.8177.500000114.4G19 N25G19-G21 VanDerWaalsContact C-N 3.29Å; G19-G21 PolarHBondContact O-N 2.82Å; G21-N25 WeakPolarHBondContact O-CB 3.03Å; G21-N25 PolarHBondContact O-ND2 2.97Å
22M59.2Low73.6Confident89 Ų89100.9 Ų100.944%0.43857%0.566SS.*THydrogen-bonded Turntrans-89.6-34.4-172.6-171.4163.274.700112.9G19 P46G19-M22 PolarHBondContact O-N 3.44Å; M22-P46 HydrophobicContact SD-CG 4.22Å
23F61.8Low74.1Confident70 Ų7096.5 Ų96.531%0.30754%0.543SS..SBendtrans-120.8138.4-178.6-65.8-64.2000109.8N25 E74F23-N25 VanDerWaalsContact C-N 3.3Å; F23-N25 PolarHBondContact O-N 3.33Å; F23-E74 WeakPolarHBondContact CB-OE1 3.25Å; F23-E74 HydrophobicContact CD1-CG 3.55Å; F23-E74 HydrophobicContact CE1-CG 3.94Å; F23-E74 HydrophobicContact CG-CG 4.27Å
24G63.4Low74.8Confident73 Ų7394.9 Ų94.975%0.75353%0.533SS*.SBendtrans74.99.4-173.800000115.9
25N73.6Confident75.6Confident76 Ų7693 Ų9341%0.40653%0.532SS..  trans-94.5115171.1-179.6-0.5000109.4G21 F23 G27 F41G21-N25 WeakPolarHBondContact O-CB 3.03Å; G21-N25 PolarHBondContact O-ND2 2.97Å; F23-N25 VanDerWaalsContact C-N 3.3Å; F23-N25 PolarHBondContact O-N 3.33Å; N25-G27 PolarHBondContact O-N 2.83Å; N25-G27 WeakPolarHBondContact OD1-CA 3.44Å; N25-G27 PolarHBondContact OD1-N 3.49Å; N25-F41 WeakPolarHBondContact O-CE1 3.09Å
26D81.6Confident76.5Confident149 Ų14994.1 Ų94.180%0.79753%0.527SS*.  trans-76.1-4.2178.7-69.1-37.5000113.8
27G86.9Confident77.9Confident22 Ų2297.5 Ų97.523%0.22754%0.537CS..  trans68.8-171.2-177.100000113.2N25 C40N25-G27 PolarHBondContact O-N 2.83Å; N25-G27 WeakPolarHBondContact OD1-CA 3.44Å; N25-G27 PolarHBondContact OD1-N 3.49Å; G27-C40 CarbonylContact C-O 3.51Å; G27-C40 WeakPolarHBondContact CA-O 3.32Å
28V89.6Confident79.8Confident76 Ų7693.3 Ų93.346%0.46151%0.51SS..BIsolated β-bridgetrans-113.9129.1-178.2-175.80000110V30 C40 L58V28-V30 HydrophobicContact CG1-CG2 4.26Å; V28-V30 PolarHBondContact O-N 2.88Å; V28-C40 HydrophobicContact CB-CB 4.36Å; V28-C40 PolarHBondContact N-O 3.26Å; V28-C40 VanDerWaalsContact O-CB 3.32Å; V28-C40 WeakPolarHBondContact O-CB 3.42Å; V28-C40 PolarHBondContact O-N 3.01Å; V28-L58 HydrophobicContact CG2-CD1 4.45Å
29K92.8Very high81.5Confident177 Ų17789.7 Ų89.777%0.7748%0.483SS*.  trans-83.8112176.9-66.5178.3-176172.70110.1
30V92.9Very high83.5Confident16 Ų1687.6 Ų87.610%0.09746%0.462CS..  trans-116.1125.6175178.90000108.6V28 T32 C33 T34 C40 C54V28-V30 HydrophobicContact CG1-CG2 4.26Å; V28-V30 PolarHBondContact O-N 2.88Å; V30-T32 PolarHBondContact O-N 3.07Å; V30-C33 HydrophobicContact CB-CB 4.35Å; V30-C33 WeakPolarHBondContact O-CA 3.42Å; V30-C33 PolarHBondContact O-N 2.03Å; V30-T34 PolarHBondContact O-N 2.75Å; V30-T34 PolarHBondContact O-OG1 3.03Å; V30-T34 VanDerWaalsContact O-OG1 3.07Å; V30-C40 HydrophobicContact CG2-CB 4.31Å; V30-C40 WeakPolarHBondContact CG2-SG 3.23Å; V30-C54 HydrophobicContact CG2-CB 4.36Å
31R92.9Very high85.3Confident231 Ų23180.2 Ų80.287%0.87243%0.43SS*.Hα-helixtrans-46.9-43.7-170.1-174.9178.4179.6-177.40.5113.9S35R31-S35 PolarHBondContact O-N 3.45Å; R31-S35 VanDerWaalsContact O-N 3.07Å
32T91.6Very high86.8Confident96 Ų9685.5 Ų85.559%0.58944%0.439SS*.Hα-helixtrans-71.9-31.4-179.252.10000113.8V30 S35V30-T32 PolarHBondContact O-N 3.07Å; T32-S35 PolarHBondContact O-OG 3.02Å
33C94.2Very high88.2Confident3 Ų383 Ų832%0.0244%0.436CS..Hα-helixtrans-79.9-44.4174.8-175.20000110.6V30 S35 R36 A38 C60V30-C33 HydrophobicContact CB-CB 4.35Å; V30-C33 WeakPolarHBondContact O-CA 3.42Å; V30-C33 PolarHBondContact O-N 2.03Å; C33-S35 VanDerWaalsContact C-N 3.29Å; C33-S35 PolarHBondContact O-N 2.03Å; C33-R36 WeakPolarHBondContact O-CB 3.46Å; C33-R36 PolarHBondContact O-N 2.87Å; C33-A38 CarbonylContact C-O 3.52Å; C33-A38 PolarHBondContact O-N 3.29Å; C33-A38 VanDerWaalsContact SG-C 3.53Å; C33-A38 VanDerWaalsContact SG-CB 3.58Å; C33-C60 VanDerWaalsContact CA-SG 3.52Å; C33-C60 HydrophobicContact CB-CB 3.97Å; C33-C60 WeakPolarHBondContact CB-SG 3.32Å; C33-C60 WeakPolarHBondContact SG-CA 3.49Å; C33-C60 WeakPolarHBondContact SG-CB 3.05Å; C33-C60 CovalentContact SG-SG 2.03Å; C33-C60 PolarHBondContact SG-SG 3.31Å
34T95.2Very high89.5Confident64 Ų6481.7 Ų81.739%0.39344%0.435SS..Hα-helixtrans-61.3-35.1178.9-52.20000112.4V30 R36 K37 A38V30-T34 PolarHBondContact O-N 2.75Å; V30-T34 PolarHBondContact O-OG1 3.03Å; V30-T34 VanDerWaalsContact O-OG1 3.07Å; T34-R36 PolarHBondContact O-N 2.84Å; T34-R36 VanDerWaalsContact O-N 3.11Å; T34-K37 PolarHBondContact O-N 2.88Å; T34-A38 WeakPolarHBondContact CA-O 3.06Å; T34-A38 PolarHBondContact N-O 3.34Å
35S95.7Very high90.7Very high93 Ų9379.3 Ų79.365%0.6541%0.406SS*.THydrogen-bonded Turntrans-61-20.217568.50000113.5R31 T32 C33R31-S35 PolarHBondContact O-N 3.45Å; R31-S35 VanDerWaalsContact O-N 3.07Å; T32-S35 PolarHBondContact O-OG 3.02Å; C33-S35 VanDerWaalsContact C-N 3.29Å; C33-S35 PolarHBondContact O-N 2.03Å
36R94.3Very high91.5Very high150 Ų15077.9 Ų77.957%0.56640%0.401SS*.THydrogen-bonded Turntrans-9410.6174.7-58.9-169.5177-160.8-0.7113.8C33 T34 A38C33-R36 WeakPolarHBondContact O-CB 3.46Å; C33-R36 PolarHBondContact O-N 2.87Å; T34-R36 PolarHBondContact O-N 2.84Å; T34-R36 VanDerWaalsContact O-N 3.11Å; R36-A38 VanDerWaalsContact C-N 3.31Å
37K95.6Very high91.9Very high186 Ų18670.9 Ų70.981%0.80936%0.364SS*.THydrogen-bonded Turntrans57.843.1-172.4-52.6-178.7-179.9-177.70111.7T34T34-K37 PolarHBondContact O-N 2.88Å
38A95.3Very high92.1Very high3 Ų373.6 Ų73.63%0.02537%0.368CS..  trans-130.3164.6-178.800000110.5C33 T34 R36 I51 C60 C61 K62C33-A38 CarbonylContact C-O 3.52Å; C33-A38 PolarHBondContact O-N 3.29Å; C33-A38 VanDerWaalsContact SG-C 3.53Å; C33-A38 VanDerWaalsContact SG-CB 3.58Å; T34-A38 WeakPolarHBondContact CA-O 3.06Å; T34-A38 PolarHBondContact N-O 3.34Å; R36-A38 VanDerWaalsContact C-N 3.31Å; A38-I51 HydrophobicContact CB-CD1 4.28Å; A38-C60 VanDerWaalsContact CB-SG 3.59Å; A38-C61 WeakPolarHBondContact CA-O 3.31Å; A38-C61 WeakPolarHBondContact CB-O 3.08Å; A38-K62 HydrophobicContact CB-CB 4Å
39V94.1Very high92.3Very high41 Ų4175.8 Ų75.825%0.24837%0.373CS..EExtended strand (participates in β ladder)trans-133.1149.8-178.2-177.70000109.5F41 C61V39-F41 HydrophobicContact CB-CE2 3.8Å; V39-F41 HydrophobicContact CB-CZ 4.22Å; V39-F41 HydrophobicContact CG1-CE2 3.97Å; V39-F41 HydrophobicContact CG1-CZ 4.04Å; V39-C61 PolarHBondContact N-O 3.04Å; V39-C61 PolarHBondContact O-N 3.49Å
40C93Very high92.4Very high0 Ų073.1 Ų73.10%036%0.359CS..EExtended strand (participates in β ladder)trans-89.7133.6-179.1-55.20000111.8G27 V28 V30 C54 L58 S59G27-C40 CarbonylContact C-O 3.51Å; G27-C40 WeakPolarHBondContact CA-O 3.32Å; V28-C40 HydrophobicContact CB-CB 4.36Å; V28-C40 PolarHBondContact N-O 3.26Å; V28-C40 VanDerWaalsContact O-CB 3.32Å; V28-C40 WeakPolarHBondContact O-CB 3.42Å; V28-C40 PolarHBondContact O-N 3.01Å; V30-C40 HydrophobicContact CG2-CB 4.31Å; V30-C40 WeakPolarHBondContact CG2-SG 3.23Å; C40-C54 HydrophobicContact CB-CB 3.73Å; C40-C54 WeakPolarHBondContact CB-SG 3.38Å; C40-C54 WeakPolarHBondContact SG-CB 3.37Å; C40-C54 CovalentContact SG-SG 2.03Å; C40-C54 PolarHBondContact SG-SG 3.23Å; C40-L58 HydrophobicContact CB-CB 4.31Å; C40-L58 HydrophobicContact CB-CD1 4.47Å; C40-S59 CarbonylContact C-O 3.59Å; C40-S59 VanDerWaalsContact CA-O 3.23Å; C40-S59 WeakPolarHBondContact CA-O 3.02Å
41F91.3Very high92.5Very high19 Ų1974.9 Ų74.98%0.08337%0.367CS..EExtended strand (participates in β ladder)trans-132.9162.9177-65-85.1000111.5N25 V39 G43 P45 Y48 L58 S59 C61N25-F41 WeakPolarHBondContact O-CE1 3.09Å; V39-F41 HydrophobicContact CB-CE2 3.8Å; V39-F41 HydrophobicContact CB-CZ 4.22Å; V39-F41 HydrophobicContact CG1-CE2 3.97Å; V39-F41 HydrophobicContact CG1-CZ 4.04Å; F41-G43 VanDerWaalsContact C-N 3.28Å; F41-G43 WeakPolarHBondContact CB-O 3.44Å; F41-G43 PolarHBondContact O-N 3.38Å; F41-P45 HydrophobicContact CD1-CG 4.48Å; F41-P45 HydrophobicContact CD2-CG 4.33Å; F41-P45 HydrophobicContact CE2-CG 4.41Å; F41-P45 HydrophobicContact CG-CG 4.35Å; F41-Y48 HydrophobicContact CE2-CD1 4.21Å; F41-Y48 HydrophobicContact CE2-CE1 4.06Å; F41-Y48 HydrophobicContact CZ-CE1 4.46Å; F41-L58 CarbonylContact O-C 3.55Å; F41-L58 WeakPolarHBondContact O-CA 3.23Å; F41-S59 PolarHBondContact N-O 3.08Å; F41-S59 PolarHBondContact O-N 3.43Å; F41-C61 HydrophobicContact CD2-CB 3.83Å; F41-C61 HydrophobicContact CE2-CB 4.35Å
42F88.6Confident92.6Very high161 Ų16165.6 Ų65.671%0.70634%0.339SS*.SBendtrans-79.179.8170.7-167.1-100.1000109.7I57 L58F42-I57 HydrophobicContact CD2-CD1 4.31Å; F42-I57 HydrophobicContact CD2-CG1 4.27Å; F42-I57 HydrophobicContact CE2-CB 4.45Å; F42-I57 HydrophobicContact CE2-CD1 3.73Å; F42-I57 HydrophobicContact CE2-CG1 3.99Å; F42-L58 HydrophobicContact CB-CD2 4.1Å; F42-L58 HydrophobicContact CD2-CD2 4.17Å
43G87.4Confident92.7Very high36 Ų3667.8 Ų67.837%0.37134%0.341SS..SBendtrans79.5150.5-162.800000111.8F41F41-G43 VanDerWaalsContact C-N 3.28Å; F41-G43 WeakPolarHBondContact CB-O 3.44Å; F41-G43 PolarHBondContact O-N 3.38Å
44C90.1Very high92.5Very high43 Ų4367.9 Ų67.929%0.29134%0.341SS..PPolyproline II helixtrans-78.9128.9-178.8-65.30000111.9W50 C61C44-W50 WeakPolarHBondContact SG-CA 3.4Å; C44-C61 WeakPolarHBondContact CA-SG 3.49Å; C44-C61 HydrophobicContact CB-CB 3.82Å; C44-C61 WeakPolarHBondContact CB-SG 3.45Å; C44-C61 WeakPolarHBondContact SG-CB 3.4Å; C44-C61 CovalentContact SG-SG 2.03Å; C44-C61 PolarHBondContact SG-SG 3.24Å
45P89.1Confident91.6Very high23 Ų2372.8 Ų72.815%0.14936%0.36CS..PPolyproline II helixtrans-67.4158.5174.725.4-30.1000111.4F41 G47 Y48F41-P45 HydrophobicContact CD1-CG 4.48Å; F41-P45 HydrophobicContact CD2-CG 4.33Å; F41-P45 HydrophobicContact CE2-CG 4.41Å; F41-P45 HydrophobicContact CG-CG 4.35Å; P45-G47 PolarHBondContact O-N 3.05Å; P45-Y48 HydrophobicContact CB-CD2 4.38Å; P45-Y48 HydrophobicContact CG-CD2 3.6Å; P45-Y48 HydrophobicContact CG-CE2 4.03Å; P45-Y48 HydrophobicContact CG-CG 3.94Å; P45-Y48 WeakPolarHBondContact O-CB 3.48Å; P45-Y48 PolarHBondContact O-N 2.82Å
46P89.2Confident90.5Very high46 Ų4674.8 Ų74.830%0.29936%0.363SS..THydrogen-bonded Turntrans-52.5138.5172.6-24.434000111.4M22 Y48 P69 Q71M22-P46 HydrophobicContact SD-CG 4.22Å; P46-Y48 VanDerWaalsContact C-N 3.3Å; P46-P69 HydrophobicContact CB-CG 4.21Å; P46-Q71 HydrophobicContact CB-CB 4Å; P46-Q71 HydrophobicContact CG-CB 4.32Å
47G90.2Very high90Very high2 Ų273.1 Ų73.12%0.02136%0.364CS..THydrogen-bonded Turntrans87.1-5-17400000114.6P45 N63 M64 A72P45-G47 PolarHBondContact O-N 3.05Å; G47-N63 PolarHBondContact O-OD1 3.43Å; G47-M64 VanDerWaalsContact CA-CE 3.48Å; G47-M64 VanDerWaalsContact O-CB 3.29Å; G47-M64 WeakPolarHBondContact O-CB 3.22Å; G47-M64 WeakPolarHBondContact O-CG 3.32Å; G47-M64 PolarHBondContact O-N 2.94Å; G47-A72 VanDerWaalsContact CA-CB 3.46Å
48Y92.3Very high89.7Confident80 Ų8066.4 Ų66.431%0.31434%0.337SS..EExtended strand (participates in β ladder)trans-114.1140.8173.6-68.5-114.5000111.5F41 P45 P46 C61 K62 N63F41-Y48 HydrophobicContact CE2-CD1 4.21Å; F41-Y48 HydrophobicContact CE2-CE1 4.06Å; F41-Y48 HydrophobicContact CZ-CE1 4.46Å; P45-Y48 HydrophobicContact CB-CD2 4.38Å; P45-Y48 HydrophobicContact CG-CD2 3.6Å; P45-Y48 HydrophobicContact CG-CE2 4.03Å; P45-Y48 HydrophobicContact CG-CG 3.94Å; P45-Y48 WeakPolarHBondContact O-CB 3.48Å; P45-Y48 PolarHBondContact O-N 2.82Å; P46-Y48 VanDerWaalsContact C-N 3.3Å; Y48-C61 HydrophobicContact CD1-CB 4.07Å; Y48-C61 HydrophobicContact CG-CB 4.38Å; Y48-K62 CarbonylContact C-O 3.52Å; Y48-K62 VanDerWaalsContact CA-O 3.31Å; Y48-K62 WeakPolarHBondContact CA-O 3.39Å; Y48-N63 HydrophobicContact CD1-CB 4.19Å; Y48-N63 HydrophobicContact CE1-CB 3.88Å
49Q93.6Very high89.6Confident121 Ų12166.8 Ų66.857%0.56534%0.34SS*.EExtended strand (participates in β ladder)trans-95.2132.9174.4-176.2177.46.600110.2C61 K62 M64Q49-C61 CarbonylContact O-C 3.59Å; Q49-C61 WeakPolarHBondContact O-CA 3.45Å; Q49-K62 PolarHBondContact N-O 2.94Å; Q49-K62 PolarHBondContact O-N 2.77Å; Q49-M64 HydrophobicContact CB-CG 3.8Å; Q49-M64 HydrophobicContact CB-SD 4.2Å
50W94.8Very high89.7Confident122 Ų12265 Ų6546%0.46233%0.329SS..EExtended strand (participates in β ladder)trans-70.3135.3171.5-175.195.6000111.4C44 F53 S59C44-W50 WeakPolarHBondContact SG-CA 3.4Å; W50-F53 HydrophobicContact CH2-CE2 4.44Å; W50-F53 AromaticContact CZ2-CD2 3.89Å; W50-F53 HydrophobicContact CZ2-CD2 3.89Å; W50-F53 HydrophobicContact CZ2-CE1 4.48Å; W50-F53 AromaticContact CZ2-CE2 3.77Å; W50-F53 HydrophobicContact CZ2-CE2 3.77Å; W50-F53 HydrophobicContact CZ2-CG 4.3Å; W50-F53 HydrophobicContact CZ2-CZ 4.08Å; W50-S59 VanDerWaalsContact CD1-CB 3.49Å; W50-S59 PolarHBondContact NE1-OG 2.76Å
51I95Very high89.7Confident52 Ų5265 Ų6527%0.26733%0.329SS..EExtended strand (participates in β ladder)trans-121-42179.9-59.6174.8000112.4A38 C60 K62A38-I51 HydrophobicContact CB-CD1 4.28Å; I51-C60 PolarHBondContact N-O 3.47Å; I51-K62 HydrophobicContact CD1-CB 3.36Å; I51-K62 HydrophobicContact CD1-CD 3.8Å; I51-K62 HydrophobicContact CD1-CG 4.24Å; I51-K62 HydrophobicContact CG1-CB 4.28Å
52A94.6Very high89.9Confident36 Ų3668.4 Ų68.430%0.29834%0.343SS..EExtended strand (participates in β ladder)trans-164.7173-174.500000110.7C60A52-C60 HydrophobicContact CB-CB 4.32Å; A52-C60 VanDerWaalsContact O-CB 3.31Å; A52-C60 WeakPolarHBondContact O-CB 3.37Å; A52-C60 PolarHBondContact O-N 3.33Å
53F93.2Very high90.1Very high143 Ų14364.5 Ų64.563%0.62733%0.33SS*.EExtended strand (participates in β ladder)trans-83.4143.1167.4-70.3-72.8000111.9W50 N56 L58W50-F53 HydrophobicContact CH2-CE2 4.44Å; W50-F53 AromaticContact CZ2-CD2 3.89Å; W50-F53 HydrophobicContact CZ2-CD2 3.89Å; W50-F53 HydrophobicContact CZ2-CE1 4.48Å; W50-F53 AromaticContact CZ2-CE2 3.77Å; W50-F53 HydrophobicContact CZ2-CE2 3.77Å; W50-F53 HydrophobicContact CZ2-CG 4.3Å; W50-F53 HydrophobicContact CZ2-CZ 4.08Å; F53-N56 WeakPolarHBondContact CD1-O 3.36Å; F53-L58 CarbonylContact C-O 3.58Å; F53-L58 WeakPolarHBondContact CA-O 3.4Å
54C90.3Very high90.3Very high4 Ų465 Ų653%0.02732%0.323CS..EExtended strand (participates in β ladder)trans-101.2116.7164.9-55.80000108.5V30 C40 N56 L58 C60V30-C54 HydrophobicContact CG2-CB 4.36Å; C40-C54 HydrophobicContact CB-CB 3.73Å; C40-C54 WeakPolarHBondContact CB-SG 3.38Å; C40-C54 WeakPolarHBondContact SG-CB 3.37Å; C40-C54 CovalentContact SG-SG 2.03Å; C40-C54 PolarHBondContact SG-SG 3.23Å; C54-N56 VanDerWaalsContact C-N 3.26Å; C54-N56 PolarHBondContact O-N 3.12Å; C54-L58 HydrophobicContact CB-CB 3.86Å; C54-L58 PolarHBondContact N-O 3.34Å; C54-C60 VanDerWaalsContact SG-CA 3.57Å; C54-C60 VanDerWaalsContact SG-CB 3.5Å
55H76.5Confident90.3Very high168 Ų16869.4 Ų69.478%0.77835%0.349SS*.THydrogen-bonded Turntrans3351.7171.2-60.9-41000115.2
56N73.1Confident90.3Very high135 Ų13577.5 Ų77.572%0.72238%0.377SS*.THydrogen-bonded Turntrans106.4-100.6177-146.6-23.6000114.9F53 C54F53-N56 WeakPolarHBondContact CD1-O 3.36Å; C54-N56 VanDerWaalsContact C-N 3.26Å; C54-N56 PolarHBondContact O-N 3.12Å
57I82.2Confident90.2Very high114 Ų11484.8 Ų84.859%0.58540%0.404SS*.THydrogen-bonded Turntrans-91.7-11.7-167.169.8-171.4000114.8F42F42-I57 HydrophobicContact CD2-CD1 4.31Å; F42-I57 HydrophobicContact CD2-CG1 4.27Å; F42-I57 HydrophobicContact CE2-CB 4.45Å; F42-I57 HydrophobicContact CE2-CD1 3.73Å; F42-I57 HydrophobicContact CE2-CG1 3.99Å
58L90.4Very high90.1Very high46 Ų4688.8 Ų88.824%0.24142%0.422CS..EExtended strand (participates in β ladder)trans-83.6145.9179.6-65176.3000110.2V28 C40 F41 F42 F53 C54V28-L58 HydrophobicContact CG2-CD1 4.45Å; C40-L58 HydrophobicContact CB-CB 4.31Å; C40-L58 HydrophobicContact CB-CD1 4.47Å; F41-L58 CarbonylContact O-C 3.55Å; F41-L58 WeakPolarHBondContact O-CA 3.23Å; F42-L58 HydrophobicContact CB-CD2 4.1Å; F42-L58 HydrophobicContact CD2-CD2 4.17Å; F53-L58 CarbonylContact C-O 3.58Å; F53-L58 WeakPolarHBondContact CA-O 3.4Å; C54-L58 HydrophobicContact CB-CB 3.86Å; C54-L58 PolarHBondContact N-O 3.34Å
59S93.1Very high89.8Confident11 Ų1186.9 Ų86.98%0.07742%0.42CS..EExtended strand (participates in β ladder)trans-101.8128.4177.6-70.40000110.4C40 F41 W50 C61C40-S59 CarbonylContact C-O 3.59Å; C40-S59 VanDerWaalsContact CA-O 3.23Å; C40-S59 WeakPolarHBondContact CA-O 3.02Å; F41-S59 PolarHBondContact N-O 3.08Å; F41-S59 PolarHBondContact O-N 3.43Å; W50-S59 VanDerWaalsContact CD1-CB 3.49Å; W50-S59 PolarHBondContact NE1-OG 2.76Å; S59-C61 PolarHBondContact O-N 2.93Å; S59-C61 PolarHBondContact O-SG 3.39Å
60C95.4Very high89.4Confident4 Ų486.7 Ų86.73%0.02743%0.429CS..EExtended strand (participates in β ladder)trans-76.9112.7168.6-1760000108.9C33 A38 I51 A52 C54C33-C60 VanDerWaalsContact CA-SG 3.52Å; C33-C60 HydrophobicContact CB-CB 3.97Å; C33-C60 WeakPolarHBondContact CB-SG 3.32Å; C33-C60 WeakPolarHBondContact SG-CA 3.49Å; C33-C60 WeakPolarHBondContact SG-CB 3.05Å; C33-C60 CovalentContact SG-SG 2.03Å; C33-C60 PolarHBondContact SG-SG 3.31Å; A38-C60 VanDerWaalsContact CB-SG 3.59Å; I51-C60 PolarHBondContact N-O 3.47Å; A52-C60 HydrophobicContact CB-CB 4.32Å; A52-C60 VanDerWaalsContact O-CB 3.31Å; A52-C60 WeakPolarHBondContact O-CB 3.37Å; A52-C60 PolarHBondContact O-N 3.33Å; C54-C60 VanDerWaalsContact SG-CA 3.57Å; C54-C60 VanDerWaalsContact SG-CB 3.5Å
61C94.6Very high89Confident0 Ų086.6 Ų86.60%043%0.433CS..EExtended strand (participates in β ladder)trans-121.1133.7-170.3-51.90000110.5A38 V39 F41 C44 Y48 Q49 S59A38-C61 WeakPolarHBondContact CA-O 3.31Å; A38-C61 WeakPolarHBondContact CB-O 3.08Å; V39-C61 PolarHBondContact N-O 3.04Å; V39-C61 PolarHBondContact O-N 3.49Å; F41-C61 HydrophobicContact CD2-CB 3.83Å; F41-C61 HydrophobicContact CE2-CB 4.35Å; C44-C61 WeakPolarHBondContact CA-SG 3.49Å; C44-C61 HydrophobicContact CB-CB 3.82Å; C44-C61 WeakPolarHBondContact CB-SG 3.45Å; C44-C61 WeakPolarHBondContact SG-CB 3.4Å; C44-C61 CovalentContact SG-SG 2.03Å; C44-C61 PolarHBondContact SG-SG 3.24Å; Y48-C61 HydrophobicContact CD1-CB 4.07Å; Y48-C61 HydrophobicContact CG-CB 4.38Å; Q49-C61 CarbonylContact O-C 3.59Å; Q49-C61 WeakPolarHBondContact O-CA 3.45Å; S59-C61 PolarHBondContact O-N 2.93Å; S59-C61 PolarHBondContact O-SG 3.39Å
62K95.3Very high88.4Confident89 Ų8985.5 Ų85.539%0.38743%0.432SS..EExtended strand (participates in β ladder)trans-114.7133.7178.1-176.9170.3-176.3172.60110.5A38 Y48 Q49 I51 M64A38-K62 HydrophobicContact CB-CB 4Å; Y48-K62 CarbonylContact C-O 3.52Å; Y48-K62 VanDerWaalsContact CA-O 3.31Å; Y48-K62 WeakPolarHBondContact CA-O 3.39Å; Q49-K62 PolarHBondContact N-O 2.94Å; Q49-K62 PolarHBondContact O-N 2.77Å; I51-K62 HydrophobicContact CD1-CB 3.36Å; I51-K62 HydrophobicContact CD1-CD 3.8Å; I51-K62 HydrophobicContact CD1-CG 4.24Å; I51-K62 HydrophobicContact CG1-CB 4.28Å; K62-M64 PolarHBondContact O-N 3.32Å
63N92.6Very high87.5Confident80 Ų8090.6 Ų90.643%0.42845%0.448SS..EExtended strand (participates in β ladder)trans-58.8126.1177.5-169.1-13.6000110.1G47 Y48 Q68G47-N63 PolarHBondContact O-OD1 3.43Å; Y48-N63 HydrophobicContact CD1-CB 4.19Å; Y48-N63 HydrophobicContact CE1-CB 3.88Å; N63-Q68 PolarHBondContact OD1-NE2 3.04Å
64M91.4Very high86.4Confident46 Ų4687.8 Ų87.823%0.22744%0.436CS..  trans-76.4129.9177.2-63.2-169.2-67.500109.4G47 Q49 K62 Q68 P69G47-M64 VanDerWaalsContact CA-CE 3.48Å; G47-M64 VanDerWaalsContact O-CB 3.29Å; G47-M64 WeakPolarHBondContact O-CB 3.22Å; G47-M64 WeakPolarHBondContact O-CG 3.32Å; G47-M64 PolarHBondContact O-N 2.94Å; Q49-M64 HydrophobicContact CB-CG 3.8Å; Q49-M64 HydrophobicContact CB-SD 4.2Å; K62-M64 PolarHBondContact O-N 3.32Å; M64-Q68 HydrophobicContact CB-CG 4.35Å; M64-Q68 VanDerWaalsContact O-CG 3.29Å; M64-Q68 WeakPolarHBondContact O-CG 3.44Å; M64-Q68 PolarHBondContact O-NE2 3.43Å; M64-P69 HydrophobicContact CE-CG 4.46Å
65T89.3Confident85.1Confident135 Ų13592.2 Ų92.283%0.82847%0.465SS*.SBendtrans-94.7-9.6175.556.50000113
66R88.5Confident84.5Confident194 Ų19494.2 Ų94.273%0.73247%0.466SS*.SBendtrans-133.4150.2179.1-64-172.5-179.9-175.1-0109.6Q68R66-Q68 VanDerWaalsContact C-N 3.26Å; R66-Q68 PolarHBondContact O-N 3.4Å
67F87.8Confident84.1Confident198 Ų19891.5 Ų91.587%0.86846%0.458SS*.SBendtrans54.738.6177.5-48.1-68.3000113.9
68Q87.8Confident82.6Confident87 Ų8798.3 Ų98.341%0.40749%0.487SS..  trans-62.9128.7175-72.3-174.8-22.400109.7N63 M64 R66 A72N63-Q68 PolarHBondContact OD1-NE2 3.04Å; M64-Q68 HydrophobicContact CB-CG 4.35Å; M64-Q68 VanDerWaalsContact O-CG 3.29Å; M64-Q68 WeakPolarHBondContact O-CG 3.44Å; M64-Q68 PolarHBondContact O-NE2 3.43Å; R66-Q68 VanDerWaalsContact C-N 3.26Å; R66-Q68 PolarHBondContact O-N 3.4Å; Q68-A72 HydrophobicContact CB-CB 4.27Å
69P87.6Confident82.2Confident40 Ų40101 Ų10126%0.2650%0.499SS..  trans-66.4150.2174.830-35.1000109.5P46 M64 Q71 A72P46-P69 HydrophobicContact CB-CG 4.21Å; M64-P69 HydrophobicContact CE-CG 4.46Å; P69-Q71 PolarHBondContact O-N 2.94Å; P69-A72 HydrophobicContact CG-CB 4.19Å; P69-A72 WeakPolarHBondContact O-CB 3.39Å; P69-A72 PolarHBondContact O-N 3.3Å
70P84.6Confident81.7Confident116 Ų116105.7 Ų105.775%0.75352%0.521SS*.G310 helixtrans-50.6-31.9177.2-28.233.7000113.9A72 K73P70-A72 PolarHBondContact O-N 3.32Å; P70-K73 PolarHBondContact O-N 3.37Å
71Q85.2Confident80.9Confident120 Ų120111.3 Ų111.356%0.56155%0.549SS*.G310 helixtrans-72-9.5179.9-55.791-38.600114.1P46 P69 K73P46-Q71 HydrophobicContact CB-CB 4Å; P46-Q71 HydrophobicContact CG-CB 4.32Å; P69-Q71 PolarHBondContact O-N 2.94Å; Q71-K73 PolarHBondContact O-N 2.91Å
72A83.5Confident80.1Confident30 Ų30117.9 Ų117.925%0.24858%0.581CS.*G310 helixtrans-72.6-19.1176.900000113.1G47 Q68 P69 P70G47-A72 VanDerWaalsContact CA-CB 3.46Å; Q68-A72 HydrophobicContact CB-CB 4.27Å; P69-A72 HydrophobicContact CG-CB 4.19Å; P69-A72 WeakPolarHBondContact O-CB 3.39Å; P69-A72 PolarHBondContact O-N 3.3Å; P70-A72 PolarHBondContact O-N 3.32Å
73K75.8Confident79.1Confident143 Ų143119.7 Ų119.762%0.62259%0.593SS**SBendtrans-93.2138177.2-63.1-176.7179.6-176.10108.8P70 Q71P70-K73 PolarHBondContact O-N 3.37Å; Q71-K73 PolarHBondContact O-N 2.91Å
74E70.1Confident78.3Confident83 Ų83122.3 Ų122.339%0.38860%0.604SS.*  trans-64.3135169.6-75.8-149.6-17300109.2F23 W76 S77F23-E74 WeakPolarHBondContact CB-OE1 3.25Å; F23-E74 HydrophobicContact CD1-CG 3.55Å; F23-E74 HydrophobicContact CE1-CG 3.94Å; F23-E74 HydrophobicContact CG-CG 4.27Å; E74-W76 PolarHBondContact O-N 3.44Å; E74-S77 PolarHBondContact O-N 2.94Å; E74-S77 PolarHBondContact O-OG 3.46Å; E74-S77 VanDerWaalsContact O-OG 3.14Å
75P62.6Low77.3Confident98 Ų98127.8 Ų127.864%0.63663%0.631SS**THydrogen-bonded Turntrans-58.3-21178.5-22.432000113.4
76W65.1Low76.4Confident210 Ų210127.2 Ų127.280%0.79562%0.616SS**THydrogen-bonded Turntrans-113.92.3-172.8-41.3105.7000113.4E74 H78E74-W76 PolarHBondContact O-N 3.44Å; W76-H78 PolarHBondContact O-N 3.44Å
77S63.2Low75.4Confident78 Ų78121.7 Ų121.755%0.54561%0.606SS.*  trans-77.1105.117165.60000108.8E74E74-S77 PolarHBondContact O-N 2.94Å; E74-S77 PolarHBondContact O-OG 3.46Å; E74-S77 VanDerWaalsContact O-OG 3.14Å
78H51.7Low74.3Confident257 Ų257114.7 Ų114.7100%1.1958%0.582SS**  trans-73.60170.4-69.3-64.9000111.4W76W76-H78 PolarHBondContact O-N 3.44Å

Retrieved 78 of 78 residues in 532 ms (Link to these results)