A0A075B7H9_PIG Loading...

Ig-like domain-containing protein

AlphaFold DB (A0A4X1T0J0), UniProt , Accession A0A075B7H9, Species PIG (Sus scrofa, Pig), Gene n/a, Length 101 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
1Q72.3Confident89.7Confident102 Ų10288.7 Ų88.748%0.47752%0.518SS..  0129.30-166.7167.54.800106.5F23 S25 K93 V100Q1-F23 HydrophobicContact CG-CB 4.05Å; Q1-F23 HydrophobicContact CG-CD1 3.69Å; Q1-F23 HydrophobicContact CG-CE1 4.47Å; Q1-F23 HydrophobicContact CG-CG 4.16Å; Q1-F23 VanDerWaalsContact NE2-CB 3.35Å; Q1-S25 PolarHBondContact NE2-O 3.35Å; Q1-K93 VanDerWaalsContact OE1-CE 3.23Å; Q1-V100 WeakPolarHBondContact O-CG1 3.06Å
2T84.8Confident90.2Very high83 Ų8388.8 Ų88.851%0.50953%0.528SS..  trans-124.7159.8-174.6500000109.2F23 S24T2-F23 CarbonylContact O-C 3.55Å; T2-F23 WeakPolarHBondContact O-CA 3.1Å; T2-S24 PolarHBondContact N-OG 3.21Å; T2-S24 PolarHBondContact O-N 3.25Å; T2-S24 PolarHBondContact O-OG 3.42Å; T2-S24 VanDerWaalsContact OG1-CB 3.29Å; T2-S24 WeakPolarHBondContact OG1-CB 3.38Å; T2-S24 PolarHBondContact OG1-OG 2.93Å
3V88.1Confident90.7Very high26 Ų2691.7 Ų91.716%0.15855%0.55CS..EExtended strand (participates in β ladder)trans-88.3139170.7-176.30000108.9Q5 C21 A22 L91 V100V3-Q5 HydrophobicContact CG1-CG 4.18Å; V3-C21 HydrophobicContact CG1-CB 3.92Å; V3-A22 CarbonylContact C-O 3.53Å; V3-A22 WeakPolarHBondContact CA-O 3.37Å; V3-L91 HydrophobicContact CG1-CD1 4.45Å; V3-L91 HydrophobicContact CG2-CD1 4.16Å; V3-L91 HydrophobicContact CG2-CG 4.27Å; V3-V100 HydrophobicContact CG2-CB 4.27Å; V3-V100 HydrophobicContact CG2-CG1 3.94Å; V3-V100 WeakPolarHBondContact CG2-O 3.29Å
4I92.3Very high91.2Very high97 Ų9789 Ų8950%0.49755%0.55SS.*EExtended strand (participates in β ladder)trans-117.6130.6173.5-56.2179.4000107.5C21 A22I4-C21 CarbonylContact O-C 3.56Å; I4-C21 VanDerWaalsContact O-CA 3.24Å; I4-C21 WeakPolarHBondContact O-CA 3.34Å; I4-A22 PolarHBondContact N-O 3.42Å; I4-A22 PolarHBondContact O-N 2.95Å
5Q93.1Very high91.7Very high65 Ų6584.5 Ų84.530%0.30453%0.529SS..EExtended strand (participates in β ladder)trans-128162.9174.6-52.4-165.1122.500110.1V3 C21 Y87V3-Q5 HydrophobicContact CG1-CG 4.18Å; Q5-C21 HydrophobicContact CG-CB 3.88Å; Q5-Y87 PolarHBondContact NE2-O 2.71Å; Q5-Y87 VanDerWaalsContact NE2-O 3.1Å
6E90.9Very high92.1Very high101 Ų10184.6 Ų84.647%0.47253%0.529SS..  trans-63.6139.7168.3-59.3-57.1153.400110.2M9E6-M9 HydrophobicContact CB-CG 4.36Å
7P88.2Confident92.4Very high129 Ų12980.6 Ų80.684%0.83850%0.503SS*.SBendtrans-70.3-37.7-173.125.6-33.5000113.2
8A92.3Very high92.7Very high87 Ų8779.4 Ų79.472%0.71950%0.496SS*.  trans-162.7150.3176.100000109.7
9M93.7Very high92.9Very high103 Ų10376.5 Ų76.551%0.50748%0.476SS..  trans-138.5147.8173.1-66.8-165.37500110E6 V17 L19E6-M9 HydrophobicContact CB-CG 4.36Å; M9-V17 HydrophobicContact CB-CG2 4.18Å; M9-V17 HydrophobicContact CE-CG2 3.88Å; M9-V17 HydrophobicContact SD-CG2 3.96Å; M9-L19 HydrophobicContact CB-CD2 4.18Å; M9-L19 HydrophobicContact CG-CD2 4.11Å; M9-L19 HydrophobicContact SD-CD2 3.63Å
10S94.6Very high93.1Very high120 Ų12074.3 Ų74.384%0.83946%0.462SS*.  trans-122.3148.6173.158.50000110.2
11V96Very high93.1Very high63 Ų6370.7 Ų70.738%0.38244%0.44SS..  trans-147143.3179.364.90000108.8V17 A79V11-V17 HydrophobicContact CB-CB 4.09Å; V11-V17 HydrophobicContact CG1-CB 4.2Å; V11-V17 HydrophobicContact CG1-CG1 4.13Å; V11-V17 HydrophobicContact CG2-CB 4.27Å; V11-A79 HydrophobicContact CG1-CB 3.66Å
12S96.6Very high94.1Very high90 Ų9066.6 Ų66.663%0.62942%0.424SS*.  trans-69.5151173.9-54.80000110.8G14 G15S12-G14 PolarHBondContact O-N 3.43Å; S12-G15 WeakPolarHBondContact O-CA 3.13Å; S12-G15 PolarHBondContact O-N 2.72Å
13P96.6Very high94.4Very high126 Ų12663.2 Ų63.282%0.81840%0.402SS*.THydrogen-bonded Turntrans-51.3133.8172.7-2735.2000111.9G15P13-G15 PolarHBondContact O-N 3.27Å
14G97.5Very high94.5Very high54 Ų5464.6 Ų64.656%0.55741%0.413SS*.THydrogen-bonded Turntrans77.4-6.7-174.700000115.1S12 G78 A79S12-G14 PolarHBondContact O-N 3.43Å; G14-G78 WeakPolarHBondContact O-CA 3.44Å; G14-A79 PolarHBondContact N-O 2.83Å
15G98.2Very high94.3Very high22 Ų2263.6 Ų63.623%0.22741%0.414CS..  trans-71.2176.4176.900000113.4S12 P13 G78 A79S12-G15 WeakPolarHBondContact O-CA 3.13Å; S12-G15 PolarHBondContact O-N 2.72Å; P13-G15 PolarHBondContact O-N 3.27Å; G15-G78 PolarHBondContact O-N 3.19Å; G15-A79 PolarHBondContact O-N 3.32Å
16T98.3Very high94Very high86 Ų8663.1 Ų63.153%0.52843%0.427SS..  trans-115.6132174.8-61.90000109.7T75 I76 T77T16-T75 HydrophobicContact CG2-CG2 3.79Å; T16-I76 VanDerWaalsContact CA-O 3.28Å; T16-I76 WeakPolarHBondContact CA-O 3.33Å; T16-T77 HydrophobicContact CG2-CG2 3.96Å
17V97.2Very high94Very high16 Ų1661 Ų6110%0.09742%0.423CS..EExtended strand (participates in β ladder)trans-124.1145.5173.862.80000109.7M9 V11 L19 T75 I76M9-V17 HydrophobicContact CB-CG2 4.18Å; M9-V17 HydrophobicContact CE-CG2 3.88Å; M9-V17 HydrophobicContact SD-CG2 3.96Å; V11-V17 HydrophobicContact CB-CB 4.09Å; V11-V17 HydrophobicContact CG1-CB 4.2Å; V11-V17 HydrophobicContact CG1-CG1 4.13Å; V11-V17 HydrophobicContact CG2-CB 4.27Å; V17-L19 HydrophobicContact CG2-CD2 4.08Å; V17-T75 WeakPolarHBondContact O-CA 3.47Å; V17-I76 HydrophobicContact CG1-CB 3.89Å; V17-I76 HydrophobicContact CG1-CD1 4.14Å; V17-I76 HydrophobicContact CG1-CG1 4.25Å; V17-I76 PolarHBondContact N-O 2.86Å; V17-I76 PolarHBondContact O-N 2.99Å
18T97.6Very high94.1Very high59 Ų5955 Ų5536%0.36238%0.384SS..EExtended strand (participates in β ladder)trans-124.8112.4172.3-63.60000109.4T20 A73 L74 T75T18-T20 HydrophobicContact CG2-CG2 4.4Å; T18-A73 HydrophobicContact CG2-CB 3.9Å; T18-L74 CarbonylContact C-O 3.58Å; T18-L74 VanDerWaalsContact CA-O 3.29Å; T18-L74 WeakPolarHBondContact CA-O 3.2Å; T18-T75 PolarHBondContact OG1-OG1 3.49Å
19L97Very high94Very high24 Ų2453.5 Ų53.513%0.12637%0.366CS..EExtended strand (participates in β ladder)trans-84.6145.9172.8-53.2-177.5000108.9M9 V17 W36 A73 L74 Y87M9-L19 HydrophobicContact CB-CD2 4.18Å; M9-L19 HydrophobicContact CG-CD2 4.11Å; M9-L19 HydrophobicContact SD-CD2 3.63Å; V17-L19 HydrophobicContact CG2-CD2 4.08Å; L19-W36 HydrophobicContact CB-CH2 3.96Å; L19-W36 HydrophobicContact CB-CZ3 3.98Å; L19-A73 CarbonylContact O-C 3.57Å; L19-A73 VanDerWaalsContact O-CA 3.31Å; L19-A73 WeakPolarHBondContact O-CA 2.9Å; L19-L74 HydrophobicContact CB-CB 4.44Å; L19-L74 HydrophobicContact CD1-CD2 4.31Å; L19-L74 PolarHBondContact N-O 3.1Å; L19-L74 PolarHBondContact O-N 3.28Å; L19-Y87 VanDerWaalsContact CD1-CB 3.44Å; L19-Y87 HydrophobicContact CD1-CD1 3.86Å; L19-Y87 HydrophobicContact CD1-CD2 3.74Å; L19-Y87 HydrophobicContact CD1-CE2 4.45Å; L19-Y87 HydrophobicContact CD1-CG 3.4Å
20T96.4Very high93.6Very high32 Ų3254.2 Ų54.220%0.19638%0.377CS..EExtended strand (participates in β ladder)trans-128.3146.5177.372.90000112T18 A72T18-T20 HydrophobicContact CG2-CG2 4.4Å; T20-A72 VanDerWaalsContact CA-O 3.24Å; T20-A72 WeakPolarHBondContact CA-O 3.29Å; T20-A72 WeakPolarHBondContact CB-O 3.46Å
21C93.9Very high93Very high0 Ų052 Ų520%036%0.361CS..EExtended strand (participates in β ladder)trans-133146.9167.968.80000110.3V3 I4 Q5 W36 A72 C89V3-C21 HydrophobicContact CG1-CB 3.92Å; I4-C21 CarbonylContact O-C 3.56Å; I4-C21 VanDerWaalsContact O-CA 3.24Å; I4-C21 WeakPolarHBondContact O-CA 3.34Å; Q5-C21 HydrophobicContact CG-CB 3.88Å; C21-W36 HydrophobicContact CB-CH2 4.07Å; C21-W36 HydrophobicContact CB-CZ2 4.36Å; C21-A72 PolarHBondContact N-O 2.99Å; C21-A72 VanDerWaalsContact N-O 3.09Å; C21-A72 PolarHBondContact O-N 2.83Å; C21-A72 WeakPolarHBondContact SG-CB 3.35Å; C21-C89 HydrophobicContact CB-CB 3.27Å; C21-C89 WeakPolarHBondContact CB-SG 3.48Å; C21-C89 WeakPolarHBondContact SG-CB 3.36Å; C21-C89 CovalentContact SG-SG 2.01Å; C21-C89 PolarHBondContact SG-SG 3.36Å
22A93.6Very high92.5Very high16 Ų1650 Ų5013%0.13235%0.348CS..EExtended strand (participates in β ladder)trans-143.3160.6178.700000110.6V3 I4 K71V3-A22 CarbonylContact C-O 3.53Å; V3-A22 WeakPolarHBondContact CA-O 3.37Å; I4-A22 PolarHBondContact N-O 3.42Å; I4-A22 PolarHBondContact O-N 2.95Å; A22-K71 HydrophobicContact CB-CB 4.4Å; A22-K71 HydrophobicContact CB-CD 4.24Å; A22-K71 HydrophobicContact CB-CG 3.9Å
23F90.9Very high91.9Very high11 Ų1149.6 Ų49.65%0.04833%0.334CS..EExtended strand (participates in β ladder)trans-71.7146.7163.4-66.1-69.7000110.3Q1 T2 S25 V28 N32 L91 V100Q1-F23 HydrophobicContact CG-CB 4.05Å; Q1-F23 HydrophobicContact CG-CD1 3.69Å; Q1-F23 HydrophobicContact CG-CE1 4.47Å; Q1-F23 HydrophobicContact CG-CG 4.16Å; Q1-F23 VanDerWaalsContact NE2-CB 3.35Å; T2-F23 CarbonylContact O-C 3.55Å; T2-F23 WeakPolarHBondContact O-CA 3.1Å; F23-S25 WeakPolarHBondContact CB-O 3.46Å; F23-S25 PolarHBondContact O-N 3.28Å; F23-S25 VanDerWaalsContact O-N 3.17Å; F23-V28 HydrophobicContact CD2-CG2 4.11Å; F23-V28 HydrophobicContact CE2-CG2 4.25Å; F23-N32 HydrophobicContact CE2-CB 4.3Å; F23-N32 WeakPolarHBondContact CE2-ND2 3.25Å; F23-N32 HydrophobicContact CZ-CB 4.46Å; F23-L91 HydrophobicContact CD1-CB 4.4Å; F23-L91 HydrophobicContact CD1-CD1 3.68Å; F23-L91 HydrophobicContact CD2-CD1 3.77Å; F23-L91 HydrophobicContact CE1-CB 3.54Å; F23-L91 HydrophobicContact CE1-CD1 3.66Å; F23-L91 HydrophobicContact CE1-CG 4.24Å; F23-L91 HydrophobicContact CE2-CB 4.04Å; F23-L91 HydrophobicContact CE2-CD1 3.68Å; F23-L91 HydrophobicContact CE2-CG 4.39Å; F23-L91 HydrophobicContact CG-CD1 3.77Å; F23-L91 HydrophobicContact CZ-CB 3.33Å; F23-L91 HydrophobicContact CZ-CD1 3.68Å; F23-L91 HydrophobicContact CZ-CG 4.1Å; F23-V100 HydrophobicContact CE1-CB 4.41Å; F23-V100 HydrophobicContact CE1-CG2 4.4Å
24S90.4Very high91.7Very high56 Ų5643.6 Ų43.639%0.39230%0.295SS..SBendtrans-60.2-22.3171.249.10000113.7T2T2-S24 PolarHBondContact N-OG 3.21Å; T2-S24 PolarHBondContact O-N 3.25Å; T2-S24 PolarHBondContact O-OG 3.42Å; T2-S24 VanDerWaalsContact OG1-CB 3.29Å; T2-S24 WeakPolarHBondContact OG1-CB 3.38Å; T2-S24 PolarHBondContact OG1-OG 2.93Å
25S87.7Confident91.6Very high75 Ų7541.4 Ų41.452%0.52427%0.27SS..SBendtrans-146.1148.2166.461.90000110.5Q1 F23Q1-S25 PolarHBondContact NE2-O 3.35Å; F23-S25 WeakPolarHBondContact CB-O 3.46Å; F23-S25 PolarHBondContact O-N 3.28Å; F23-S25 VanDerWaalsContact O-N 3.17Å
26G86.8Confident91.6Very high55 Ų5540.4 Ų40.457%0.56726%0.26SS*.SBendtrans94.4-160.9-178.200000113.9
27S89.9Confident91.6Very high57 Ų5738.1 Ų38.140%0.39924%0.243SC..  trans-136.6141.8-175.5-60.10000111.3N32S27-N32 PolarHBondContact O-ND2 3.24Å; S27-N32 PolarHBondContact O-OD1 2.78Å
28V91.3Very high91.6Very high3 Ų338 Ų382%0.01824%0.241CC..  trans-76.4128.5166.1-175.10000108.1F23 N32 P34 I67 N70 A72 L91F23-V28 HydrophobicContact CD2-CG2 4.11Å; F23-V28 HydrophobicContact CE2-CG2 4.25Å; V28-N32 WeakPolarHBondContact CG1-O 3.45Å; V28-P34 HydrophobicContact CG1-CG 4.43Å; V28-I67 HydrophobicContact CG1-CD1 4.11Å; V28-I67 HydrophobicContact CG1-CG1 3.95Å; V28-I67 WeakPolarHBondContact O-CG2 3.49Å; V28-N70 WeakPolarHBondContact CB-O 3.32Å; V28-N70 WeakPolarHBondContact CG2-O 3.25Å; V28-N70 PolarHBondContact N-O 3.21Å; V28-A72 HydrophobicContact CG1-CB 4.31Å; V28-L91 HydrophobicContact CG1-CD2 4.08Å; V28-L91 HydrophobicContact CG2-CD1 3.83Å; V28-L91 HydrophobicContact CG2-CD2 3.89Å
29T89.9Confident91.5Very high55 Ų5538 Ų3834%0.33724%0.237SC..BIsolated β-bridgetrans-142.1175.3-176.577.10000109.4S31 N32 Y33 I67T29-S31 PolarHBondContact O-N 3.25Å; T29-S31 PolarHBondContact OG1-N 3.3Å; T29-S31 VanDerWaalsContact OG1-N 3.12Å; T29-N32 VanDerWaalsContact CA-OD1 3.3Å; T29-N32 WeakPolarHBondContact CA-OD1 3.31Å; T29-N32 VanDerWaalsContact CB-OD1 3.27Å; T29-N32 WeakPolarHBondContact CB-OD1 3.33Å; T29-N32 PolarHBondContact N-OD1 3.25Å; T29-N32 CarbonylContact O-C 3.52Å; T29-N32 PolarHBondContact O-N 3.17Å; T29-N32 VanDerWaalsContact O-O 3.04Å; T29-N32 PolarHBondContact O-OD1 3.38Å; T29-N32 PolarHBondContact OG1-OD1 3.03Å; T29-Y33 PolarHBondContact O-N 3.29Å; T29-I67 WeakPolarHBondContact O-CD1 3.47Å
30T84.4Confident91.5Very high119 Ų11939.1 Ų39.173%0.7325%0.245SC*.THydrogen-bonded Turntrans-62-22.1173.853.80000113.3
31S83.6Confident91.4Very high73 Ų7343.2 Ų43.251%0.5127%0.272SS..THydrogen-bonded Turntrans-84.6-10.5174.9-62.90000113.3T29 S94T29-S31 PolarHBondContact O-N 3.25Å; T29-S31 PolarHBondContact OG1-N 3.3Å; T29-S31 VanDerWaalsContact OG1-N 3.12Å; S31-S94 WeakPolarHBondContact O-CB 3.4Å; S31-S94 PolarHBondContact O-N 2.95Å
32N84.1Confident91.3Very high22 Ų2247.2 Ų47.212%0.11831%0.313CS..BIsolated β-bridgetrans-1437817554.9-17.8000110.2F23 S27 V28 T29 Y92 K93F23-N32 HydrophobicContact CE2-CB 4.3Å; F23-N32 WeakPolarHBondContact CE2-ND2 3.25Å; F23-N32 HydrophobicContact CZ-CB 4.46Å; S27-N32 PolarHBondContact O-ND2 3.24Å; S27-N32 PolarHBondContact O-OD1 2.78Å; V28-N32 WeakPolarHBondContact CG1-O 3.45Å; T29-N32 VanDerWaalsContact CA-OD1 3.3Å; T29-N32 WeakPolarHBondContact CA-OD1 3.31Å; T29-N32 VanDerWaalsContact CB-OD1 3.27Å; T29-N32 WeakPolarHBondContact CB-OD1 3.33Å; T29-N32 PolarHBondContact N-OD1 3.25Å; T29-N32 CarbonylContact O-C 3.52Å; T29-N32 PolarHBondContact O-N 3.17Å; T29-N32 VanDerWaalsContact O-O 3.04Å; T29-N32 PolarHBondContact O-OD1 3.38Å; T29-N32 PolarHBondContact OG1-OD1 3.03Å; N32-Y92 CarbonylContact C-O 3.19Å; N32-Y92 WeakPolarHBondContact CA-O 3.3Å; N32-Y92 WeakPolarHBondContact CB-O 3.17Å; N32-K93 HydrophobicContact CB-CG 4.34Å
33Y84.7Confident91.4Very high81 Ų8151.9 Ų51.932%0.31833%0.332SS..  trans-85.7149.2-16451.6-94.7000112.7T29 T52 Y92T29-Y33 PolarHBondContact O-N 3.29Å; Y33-T52 WeakPolarHBondContact CB-OG1 3.28Å; Y33-Y92 HydrophobicContact CD2-CD2 4.13Å; Y33-Y92 AromaticContact CE2-CD2 3.85Å; Y33-Y92 HydrophobicContact CE2-CD2 3.85Å; Y33-Y92 AromaticContact CE2-CG 3.99Å; Y33-Y92 HydrophobicContact CE2-CG 3.99Å; Y33-Y92 PolarHBondContact N-O 3.1Å; Y33-Y92 PolarHBondContact O-N 2.82Å; Y33-Y92 VanDerWaalsContact O-N 3.1Å
34P93.1Very high91.5Very high0 Ų055.9 Ų55.90%036%0.359CS..EExtended strand (participates in β ladder)trans-85.1153.5176.633.6-33.9000112.6V28 T52 A72 A90 L91V28-P34 HydrophobicContact CG1-CG 4.43Å; P34-T52 HydrophobicContact CG-CG2 4.39Å; P34-T52 PolarHBondContact O-N 2.83Å; P34-A72 HydrophobicContact CB-CB 3.37Å; P34-A72 HydrophobicContact CG-CB 3.47Å; P34-A72 VanDerWaalsContact CG-CB 3.47Å; P34-A90 CarbonylContact C-O 3.58Å; P34-A90 WeakPolarHBondContact CA-O 3.27Å; P34-L91 HydrophobicContact CB-CD2 3.7Å
35S95.6Very high91.8Very high7 Ų756.8 Ų56.85%0.04936%0.364CS..EExtended strand (participates in β ladder)trans-127.2151.4156.5-56.90000109.4I49 C89 A90 Y92S35-I49 CarbonylContact C-O 3.5Å; S35-I49 VanDerWaalsContact CA-O 3.23Å; S35-I49 WeakPolarHBondContact CA-O 3.42Å; S35-I49 WeakPolarHBondContact CB-O 3.41Å; S35-C89 WeakPolarHBondContact O-CA 3.2Å; S35-A90 PolarHBondContact N-O 2.93Å; S35-A90 PolarHBondContact O-N 2.75Å; S35-Y92 WeakPolarHBondContact OG-CE2 3.41Å
36W97.3Very high92.2Very high1 Ų158.7 Ų58.70%0.00436%0.359CS..EExtended strand (participates in β ladder)trans-123.1139.1-176.5-70.795.4000111L19 C21 L48 I49 A72 L74 F88 C89L19-W36 HydrophobicContact CB-CH2 3.96Å; L19-W36 HydrophobicContact CB-CZ3 3.98Å; C21-W36 HydrophobicContact CB-CH2 4.07Å; C21-W36 HydrophobicContact CB-CZ2 4.36Å; W36-L48 PolarHBondContact O-N 2.92Å; W36-I49 HydrophobicContact CB-CB 4.18Å; W36-I49 PolarHBondContact N-O 2.86Å; W36-I49 PolarHBondContact O-N 3.3Å; W36-A72 HydrophobicContact CZ2-CB 4.09Å; W36-L74 HydrophobicContact CB-CD1 4.17Å; W36-L74 HydrophobicContact CB-CD2 4.16Å; W36-L74 HydrophobicContact CD2-CB 3.47Å; W36-L74 VanDerWaalsContact CD2-CB 3.47Å; W36-L74 HydrophobicContact CD2-CD2 4.05Å; W36-L74 HydrophobicContact CD2-CG 4.24Å; W36-L74 VanDerWaalsContact CE2-CB 3.47Å; W36-L74 HydrophobicContact CE3-CB 3.81Å; W36-L74 HydrophobicContact CE3-CD2 3.88Å; W36-L74 HydrophobicContact CE3-CG 4.46Å; W36-L74 HydrophobicContact CG-CB 3.85Å; W36-L74 HydrophobicContact CG-CD1 4.11Å; W36-L74 HydrophobicContact CG-CD2 4.19Å; W36-L74 HydrophobicContact CG-CG 4.28Å; W36-L74 HydrophobicContact CH2-CB 4.13Å; W36-L74 HydrophobicContact CZ2-CB 3.82Å; W36-L74 HydrophobicContact CZ3-CB 4.13Å; W36-F88 CarbonylContact C-O 3.09Å; W36-F88 WeakPolarHBondContact CA-O 3.24Å; W36-C89 HydrophobicContact CD2-CB 4.25Å; W36-C89 HydrophobicContact CE3-CB 3.98Å; W36-C89 HydrophobicContact CH2-CB 4.06Å; W36-C89 HydrophobicContact CZ2-CB 4.32Å; W36-C89 HydrophobicContact CZ3-CB 3.88Å
37F97.3Very high92.7Very high38 Ų3859.9 Ų59.917%0.16735%0.35CS..EExtended strand (participates in β ladder)trans-129.7145.9-179-55-94.1000109.9P45 R46 Q47 Y87 F88 A90F37-P45 HydrophobicContact CB-CB 4.39Å; F37-R46 CarbonylContact C-O 3.52Å; F37-R46 VanDerWaalsContact CA-O 3.24Å; F37-R46 WeakPolarHBondContact CA-O 3.35Å; F37-Q47 HydrophobicContact CD1-CB 3.88Å; F37-Q47 HydrophobicContact CD1-CG 4.23Å; F37-Q47 HydrophobicContact CE1-CB 3.79Å; F37-Q47 HydrophobicContact CE1-CG 3.81Å; F37-Q47 HydrophobicContact CZ-CG 4.39Å; F37-Y87 WeakPolarHBondContact O-CA 3.3Å; F37-F88 HydrophobicContact CB-CB 4.39Å; F37-F88 PolarHBondContact N-O 3.09Å; F37-F88 PolarHBondContact O-N 2.64Å; F37-A90 HydrophobicContact CE2-CB 3.94Å
38Q97.6Very high93.1Very high14 Ų1457.1 Ų57.17%0.06533%0.331CS..EExtended strand (participates in β ladder)trans-115.2134.3173.2-175.5-170.926.800108.6R46 L48 E82 A85 D86 Y87Q38-R46 PolarHBondContact N-O 2.86Å; Q38-R46 PolarHBondContact O-N 2.96Å; Q38-L48 HydrophobicContact CB-CD1 3.69Å; Q38-L48 HydrophobicContact CB-CD2 4.15Å; Q38-L48 HydrophobicContact CB-CG 3.85Å; Q38-E82 PolarHBondContact NE2-O 3.15Å; Q38-E82 VanDerWaalsContact NE2-O 3.17Å; Q38-A85 HydrophobicContact CG-CB 3.43Å; Q38-A85 VanDerWaalsContact CG-CB 3.43Å; Q38-D86 CarbonylContact C-O 3.58Å; Q38-D86 WeakPolarHBondContact CA-O 3.24Å; Q38-Y87 HydrophobicContact CB-CD1 4.3Å; Q38-Y87 HydrophobicContact CB-CE1 4.06Å; Q38-Y87 HydrophobicContact CG-CD1 4.44Å; Q38-Y87 HydrophobicContact CG-CE1 3.91Å; Q38-Y87 PolarHBondContact NE2-OH 2.98Å
39Q97.1Very high93.5Very high60 Ų6057 Ų5728%0.2833%0.331SS..EExtended strand (participates in β ladder)trans-125.3111.2172.6-170.2174.812.200109.6Q43 P45 A85 D86 F88Q39-Q43 WeakPolarHBondContact CG-O 3.47Å; Q39-Q43 PolarHBondContact NE2-O 3Å; Q39-P45 HydrophobicContact CG-CG 4.39Å; Q39-A85 WeakPolarHBondContact O-CB 3.47Å; Q39-D86 HydrophobicContact CB-CB 4.45Å; Q39-D86 PolarHBondContact N-O 2.6Å; Q39-D86 PolarHBondContact O-N 3.12Å; Q39-F88 HydrophobicContact CB-CD2 4.36Å; Q39-F88 HydrophobicContact CB-CE2 3.74Å
40T95.3Very high93.7Very high47 Ų4758.5 Ų58.529%0.28833%0.331SS..  trans-82.6151.916848.30000110G42 Q43 A85T40-G42 PolarHBondContact O-N 3.28Å; T40-Q43 PolarHBondContact O-N 3.29Å; T40-Q43 WeakPolarHBondContact OG1-CB 3.33Å; T40-Q43 WeakPolarHBondContact OG1-CG 3.26Å; T40-A85 HydrophobicContact CG2-CB 3.92Å
41P94.1Very high94.1Very high118 Ų11855 Ų5577%0.76631%0.311SS*.THydrogen-bonded Turntrans-53.3127.9-179.9-28.535.8000112.6Q43P41-Q43 VanDerWaalsContact C-N 3.27Å; P41-Q43 PolarHBondContact O-N 3.31Å
42G93.8Very high94.6Very high83 Ų8352.5 Ų52.586%0.85629%0.293SS*.THydrogen-bonded Turntrans76.94.5179.600000115.5T40T40-G42 PolarHBondContact O-N 3.28Å
43Q94.6Very high95.2Very high114 Ų11456.4 Ų56.453%0.53331%0.313SS..SBendtrans-112153.2175.9-63.6-62.6-39.900111.5Q39 T40 P41Q39-Q43 WeakPolarHBondContact CG-O 3.47Å; Q39-Q43 PolarHBondContact NE2-O 3Å; T40-Q43 PolarHBondContact O-N 3.29Å; T40-Q43 WeakPolarHBondContact OG1-CB 3.33Å; T40-Q43 WeakPolarHBondContact OG1-CG 3.26Å; P41-Q43 VanDerWaalsContact C-N 3.27Å; P41-Q43 PolarHBondContact O-N 3.31Å
44P94.1Very high95.8Very high96 Ų9655.9 Ų55.962%0.62332%0.316SS*.PPolyproline II helixtrans-68.1154.4170.529.6-34.5000111R46P44-R46 PolarHBondContact O-N 3.48Å
45P95.9Very high96Very high75 Ų7560.7 Ų60.749%0.48733%0.334SS..PPolyproline II helixtrans-56.1127.8173.7-25.134.2000112F37 Q39F37-P45 HydrophobicContact CB-CB 4.39Å; Q39-P45 HydrophobicContact CG-CG 4.39Å
46R96.6Very high96.1Very high114 Ų11462 Ų6243%0.4334%0.342SS..EExtended strand (participates in β ladder)trans-103.6129176.3177.6-174.6169.7-176.81.8109.8F37 Q38 P44 L48 G58F37-R46 CarbonylContact C-O 3.52Å; F37-R46 VanDerWaalsContact CA-O 3.24Å; F37-R46 WeakPolarHBondContact CA-O 3.35Å; Q38-R46 PolarHBondContact N-O 2.86Å; Q38-R46 PolarHBondContact O-N 2.96Å; P44-R46 PolarHBondContact O-N 3.48Å; R46-L48 PolarHBondContact O-N 2.83Å; R46-G58 PolarHBondContact NH2-O 2.82Å
47Q97.4Very high96Very high80 Ų8069.1 Ų69.137%0.37439%0.386SS..EExtended strand (participates in β ladder)trans-71.8125.6176-169.4172.4-34.600111.4F37 P56F37-Q47 HydrophobicContact CD1-CB 3.88Å; F37-Q47 HydrophobicContact CD1-CG 4.23Å; F37-Q47 HydrophobicContact CE1-CB 3.79Å; F37-Q47 HydrophobicContact CE1-CG 3.81Å; F37-Q47 HydrophobicContact CZ-CG 4.39Å; Q47-P56 HydrophobicContact CB-CG 4.48Å; Q47-P56 HydrophobicContact CG-CG 4.2Å
48L98.1Very high96Very high0 Ų070.3 Ų70.30%041%0.409CS..EExtended strand (participates in β ladder)trans-100.3-46.9177.8-66.8-177.6000112.2W36 Q38 R46 P56 V59 F63 L74 Y87W36-L48 PolarHBondContact O-N 2.92Å; Q38-L48 HydrophobicContact CB-CD1 3.69Å; Q38-L48 HydrophobicContact CB-CD2 4.15Å; Q38-L48 HydrophobicContact CB-CG 3.85Å; R46-L48 PolarHBondContact O-N 2.83Å; L48-P56 WeakPolarHBondContact O-CD 3.42Å; L48-V59 HydrophobicContact CD2-CG1 3.84Å; L48-V59 HydrophobicContact CD2-CG2 4.5Å; L48-F63 HydrophobicContact CD1-CD1 3.66Å; L48-F63 HydrophobicContact CD1-CE1 3.6Å; L48-F63 HydrophobicContact CD1-CZ 4.41Å; L48-F63 HydrophobicContact CD2-CD1 4.35Å; L48-F63 HydrophobicContact CD2-CE1 4.27Å; L48-F63 HydrophobicContact CD2-CZ 4.37Å; L48-F63 HydrophobicContact CG-CD1 4.49Å; L48-L74 HydrophobicContact CD1-CD2 4.05Å; L48-Y87 HydrophobicContact CD1-CD1 4Å; L48-Y87 HydrophobicContact CD1-CE1 3.62Å
49I98.1Very high96Very high1 Ų170.2 Ų70.21%0.00541%0.41CS..EExtended strand (participates in β ladder)trans-137.6142.7-178.1-56.5-67.5000109.1S35 W36 T52 N54 R55 L74S35-I49 CarbonylContact C-O 3.5Å; S35-I49 VanDerWaalsContact CA-O 3.23Å; S35-I49 WeakPolarHBondContact CA-O 3.42Å; S35-I49 WeakPolarHBondContact CB-O 3.41Å; W36-I49 HydrophobicContact CB-CB 4.18Å; W36-I49 PolarHBondContact N-O 2.86Å; W36-I49 PolarHBondContact O-N 3.3Å; I49-T52 VanDerWaalsContact CG2-O 3.26Å; I49-T52 WeakPolarHBondContact CG2-O 3.48Å; I49-N54 CarbonylContact C-O 3.5Å; I49-N54 VanDerWaalsContact CA-O 3.3Å; I49-N54 WeakPolarHBondContact CA-O 3.43Å; I49-R55 HydrophobicContact CD1-CB 4.05Å; I49-R55 HydrophobicContact CD1-CG 4.3Å; I49-L74 HydrophobicContact CG1-CD1 3.67Å
50Y95.1Very high96Very high86 Ų8669.3 Ų69.334%0.33741%0.409SS..BIsolated β-bridgetrans-136.9163.4172.267.8-79.4000111.9T52 N53 N54 P56Y50-T52 PolarHBondContact O-N 3.36Å; Y50-T52 VanDerWaalsContact O-N 3.14Å; Y50-N53 PolarHBondContact O-N 3.45Å; Y50-N54 HydrophobicContact CD1-CB 3.87Å; Y50-N54 WeakPolarHBondContact CD1-O 3.41Å; Y50-N54 HydrophobicContact CD2-CB 3.93Å; Y50-N54 HydrophobicContact CE1-CB 3.52Å; Y50-N54 HydrophobicContact CE2-CB 3.58Å; Y50-N54 HydrophobicContact CG-CB 4.06Å; Y50-N54 PolarHBondContact N-O 2.89Å; Y50-N54 WeakPolarHBondContact O-CA 3.39Å; Y50-N54 WeakPolarHBondContact O-CB 3.29Å; Y50-N54 PolarHBondContact O-N 2.8Å; Y50-P56 HydrophobicContact CD1-CG 3.91Å; Y50-P56 HydrophobicContact CE1-CG 4.06Å
51S92.9Very high96.1Very high46 Ų4671.9 Ų71.932%0.32243%0.429SS..THydrogen-bonded Turntrans47.345.9-179.8-61.70000111.8N53S51-N53 VanDerWaalsContact C-N 3.31Å; S51-N53 PolarHBondContact O-N 2.78Å; S51-N53 VanDerWaalsContact O-N 3.09Å; S51-N53 PolarHBondContact O-OD1 3.46Å
52T94.6Very high96.3Very high20 Ų2068.3 Ų68.312%0.12340%0.4CS..THydrogen-bonded Turntrans77.8-54.9-176.9-45.60000116.4Y33 P34 I49 Y50 G65 I67Y33-T52 WeakPolarHBondContact CB-OG1 3.28Å; P34-T52 HydrophobicContact CG-CG2 4.39Å; P34-T52 PolarHBondContact O-N 2.83Å; I49-T52 VanDerWaalsContact CG2-O 3.26Å; I49-T52 WeakPolarHBondContact CG2-O 3.48Å; Y50-T52 PolarHBondContact O-N 3.36Å; Y50-T52 VanDerWaalsContact O-N 3.14Å; T52-G65 CarbonylContact O-C 3.55Å; T52-G65 WeakPolarHBondContact O-CA 3.23Å; T52-I67 HydrophobicContact CG2-CD1 3.94Å; T52-I67 HydrophobicContact CG2-CG1 3.72Å
53N96.2Very high96.5Very high104 Ų10464.4 Ų64.456%0.55636%0.36SS*.THydrogen-bonded Turntrans-141.50.6-167.566.3-22.5000114.3Y50 S51 G65Y50-N53 PolarHBondContact O-N 3.45Å; S51-N53 VanDerWaalsContact C-N 3.31Å; S51-N53 PolarHBondContact O-N 2.78Å; S51-N53 VanDerWaalsContact O-N 3.09Å; S51-N53 PolarHBondContact O-OD1 3.46Å; N53-G65 VanDerWaalsContact CB-O 3.28Å; N53-G65 WeakPolarHBondContact CB-O 3.42Å
54N96.5Very high96.6Very high69 Ų6961.6 Ų61.637%0.36935%0.352SS..BIsolated β-bridgetrans-78.7134.3177-66.1-22.6000110I49 Y50I49-N54 CarbonylContact C-O 3.5Å; I49-N54 VanDerWaalsContact CA-O 3.3Å; I49-N54 WeakPolarHBondContact CA-O 3.43Å; Y50-N54 HydrophobicContact CD1-CB 3.87Å; Y50-N54 WeakPolarHBondContact CD1-O 3.41Å; Y50-N54 HydrophobicContact CD2-CB 3.93Å; Y50-N54 HydrophobicContact CE1-CB 3.52Å; Y50-N54 HydrophobicContact CE2-CB 3.58Å; Y50-N54 HydrophobicContact CG-CB 4.06Å; Y50-N54 PolarHBondContact N-O 2.89Å; Y50-N54 WeakPolarHBondContact O-CA 3.39Å; Y50-N54 WeakPolarHBondContact O-CB 3.29Å; Y50-N54 PolarHBondContact O-N 2.8Å
55R97.4Very high96.8Very high101 Ų10157.5 Ų57.538%0.38133%0.328SS..  trans-110.5126.2-179.1-176.5167.662.2-125.9-7.9109.8I49 V59 P60 S61 F63I49-R55 HydrophobicContact CD1-CB 4.05Å; I49-R55 HydrophobicContact CD1-CG 4.3Å; R55-V59 WeakPolarHBondContact CD-O 3.37Å; R55-V59 HydrophobicContact CG-CB 3.51Å; R55-V59 HydrophobicContact CG-CG1 3.74Å; R55-V59 HydrophobicContact CG-CG2 4.42Å; R55-V59 PolarHBondContact NE-O 2.81Å; R55-P60 WeakPolarHBondContact CD-O 3.23Å; R55-S61 PolarHBondContact NH1-O 3.35Å; R55-F63 PolarHBondContact NH1-O 3.09Å
56P97.6Very high96.8Very high34 Ų3456.1 Ų56.122%0.22132%0.323CS..  trans-59.9152.4174.1-22.334000112.1Q47 L48 Y50 G58 V59Q47-P56 HydrophobicContact CB-CG 4.48Å; Q47-P56 HydrophobicContact CG-CG 4.2Å; L48-P56 WeakPolarHBondContact O-CD 3.42Å; Y50-P56 HydrophobicContact CD1-CG 3.91Å; Y50-P56 HydrophobicContact CE1-CG 4.06Å; P56-G58 PolarHBondContact O-N 3.14Å; P56-V59 HydrophobicContact CB-CG2 4.19Å; P56-V59 HydrophobicContact CG-CG2 4.36Å; P56-V59 PolarHBondContact O-N 3.3Å
57T96.6Very high96.8Very high152 Ų15253.1 Ų53.193%0.93332%0.315SS*.THydrogen-bonded Turntrans-55.9135.8173.7-53.60000110.6V59T57-V59 VanDerWaalsContact C-N 3.34Å
58G95.8Very high96.6Very high63 Ų6353.1 Ų53.165%0.64932%0.323SS*.THydrogen-bonded Turntrans85.1-4.5-179.700000115.3R46 P56R46-G58 PolarHBondContact NH2-O 2.82Å; P56-G58 PolarHBondContact O-N 3.14Å
59V97.6Very high96.4Very high12 Ų1256.6 Ų56.67%0.07336%0.36CS..SBendtrans-82.1129167.4-179.10000109.4L48 R55 P56 T57 F63L48-V59 HydrophobicContact CD2-CG1 3.84Å; L48-V59 HydrophobicContact CD2-CG2 4.5Å; R55-V59 WeakPolarHBondContact CD-O 3.37Å; R55-V59 HydrophobicContact CG-CB 3.51Å; R55-V59 HydrophobicContact CG-CG1 3.74Å; R55-V59 HydrophobicContact CG-CG2 4.42Å; R55-V59 PolarHBondContact NE-O 2.81Å; P56-V59 HydrophobicContact CB-CG2 4.19Å; P56-V59 HydrophobicContact CG-CG2 4.36Å; P56-V59 PolarHBondContact O-N 3.3Å; T57-V59 VanDerWaalsContact C-N 3.34Å; V59-F63 HydrophobicContact CG1-CB 4.18Å; V59-F63 HydrophobicContact CG1-CD2 3.92Å; V59-F63 HydrophobicContact CG1-CG 4.22Å
60P97.4Very high96.1Very high41 Ų4160.4 Ų60.427%0.26638%0.38SS..  trans-58.2150-177-27.236000114R55 R62 F63R55-P60 WeakPolarHBondContact CD-O 3.23Å; P60-R62 HydrophobicContact CB-CG 4.12Å; P60-R62 PolarHBondContact O-N 2.91Å; P60-R62 VanDerWaalsContact O-N 3.09Å; P60-F63 HydrophobicContact CB-CD2 4.11Å; P60-F63 HydrophobicContact CB-CE2 4.28Å; P60-F63 HydrophobicContact CG-CD2 4.36Å; P60-F63 HydrophobicContact CG-CE2 4.15Å; P60-F63 PolarHBondContact O-N 2.93Å
61S97.1Very high96.1Very high100 Ų10060.1 Ų60.170%0.69938%0.381SS*.THydrogen-bonded Turntrans-62.2-19.5-179.554.10000114.5R55 F63R55-S61 PolarHBondContact NH1-O 3.35Å; S61-F63 PolarHBondContact O-N 3Å
62R97.9Very high96.2Very high43 Ų4358 Ų5816%0.16237%0.365CS..THydrogen-bonded Turntrans-66.9-16.6179.786.4178.1165.5-100.33.1114.6P60 I76 T77 D83P60-R62 HydrophobicContact CB-CG 4.12Å; P60-R62 PolarHBondContact O-N 2.91Å; P60-R62 VanDerWaalsContact O-N 3.09Å; R62-I76 HydrophobicContact CG-CG2 4.41Å; R62-I76 WeakPolarHBondContact O-CA 3.28Å; R62-T77 VanDerWaalsContact CB-O 3.25Å; R62-T77 WeakPolarHBondContact CB-O 3.4Å; R62-T77 PolarHBondContact O-N 2.82Å; R62-T77 PolarHBondContact O-OG1 2.9Å; R62-D83 IonicContact CZ-OD1 3.4Å; R62-D83 IonicContact CZ-OD2 3.67Å; R62-D83 IonicContact NE-OD1 3.27Å; R62-D83 PolarHBondContact NE-OD1 2.78Å; R62-D83 IonicContact NE-OD2 2.95Å; R62-D83 PolarHBondContact NE-OD2 2.95Å; R62-D83 IonicContact NH2-OD1 2.72Å; R62-D83 PolarHBondContact NH2-OD1 2.81Å; R62-D83 IonicContact NH2-OD2 3.64Å
63F98.3Very high96.3Very high2 Ų257.2 Ų57.21%0.00936%0.361CS..EExtended strand (participates in β ladder)trans-93.6128.4173.7-65.1-88.3000110.5L48 R55 V59 P60 S61 L74 T75 I76 D83 Y87L48-F63 HydrophobicContact CD1-CD1 3.66Å; L48-F63 HydrophobicContact CD1-CE1 3.6Å; L48-F63 HydrophobicContact CD1-CZ 4.41Å; L48-F63 HydrophobicContact CD2-CD1 4.35Å; L48-F63 HydrophobicContact CD2-CE1 4.27Å; L48-F63 HydrophobicContact CD2-CZ 4.37Å; L48-F63 HydrophobicContact CG-CD1 4.49Å; R55-F63 PolarHBondContact NH1-O 3.09Å; V59-F63 HydrophobicContact CG1-CB 4.18Å; V59-F63 HydrophobicContact CG1-CD2 3.92Å; V59-F63 HydrophobicContact CG1-CG 4.22Å; P60-F63 HydrophobicContact CB-CD2 4.11Å; P60-F63 HydrophobicContact CB-CE2 4.28Å; P60-F63 HydrophobicContact CG-CD2 4.36Å; P60-F63 HydrophobicContact CG-CE2 4.15Å; P60-F63 PolarHBondContact O-N 2.93Å; S61-F63 PolarHBondContact O-N 3Å; F63-L74 HydrophobicContact CD1-CD1 4.49Å; F63-T75 WeakPolarHBondContact CA-O 3.3Å; F63-I76 HydrophobicContact CD1-CD1 4.2Å; F63-I76 HydrophobicContact CD1-CG1 3.76Å; F63-I76 HydrophobicContact CD1-CG2 4.29Å; F63-I76 HydrophobicContact CE1-CB 4.49Å; F63-I76 HydrophobicContact CE1-CD1 3.74Å; F63-I76 HydrophobicContact CE1-CG1 3.78Å; F63-I76 HydrophobicContact CE1-CG2 3.98Å; F63-I76 HydrophobicContact CZ-CG2 4.35Å; F63-D83 VanDerWaalsContact CZ-OD1 3.25Å; F63-D83 WeakPolarHBondContact CZ-OD1 3.41Å; F63-Y87 HydrophobicContact CE1-CE1 4.27Å
64S98.2Very high96.4Very high54 Ų5452.3 Ų52.338%0.37834%0.335SS..EExtended strand (participates in β ladder)trans-138.5144.817460.50000111.3L74 T75S64-L74 CarbonylContact O-C 3.57Å; S64-L74 WeakPolarHBondContact O-CA 3.35Å; S64-T75 PolarHBondContact N-O 2.96Å; S64-T75 PolarHBondContact O-N 2.88Å
65G97.6Very high96.5Very high11 Ų1150.6 Ų50.611%0.11333%0.327CS..EExtended strand (participates in β ladder)trans-117.2148.2174.800000112T52 N53 A73T52-G65 CarbonylContact O-C 3.55Å; T52-G65 WeakPolarHBondContact O-CA 3.23Å; N53-G65 VanDerWaalsContact CB-O 3.28Å; N53-G65 WeakPolarHBondContact CB-O 3.42Å; G65-A73 VanDerWaalsContact CA-O 3.29Å; G65-A73 WeakPolarHBondContact CA-O 3.35Å
66A96.6Very high96.5Very high46 Ų4646 Ų4638%0.3831%0.31SS..EExtended strand (participates in β ladder)trans-151.8168.8178.200000111.3A72 A73A66-A72 WeakPolarHBondContact O-CA 3.37Å; A66-A73 PolarHBondContact N-O 3Å; A66-A73 PolarHBondContact O-N 3.1Å
67I95.6Very high96.6Very high50 Ų5047.4 Ų47.426%0.25632%0.318SS..EExtended strand (participates in β ladder)trans-101.6120.9160.4-66.1166.6000106.7V28 T29 T52 K71V28-I67 HydrophobicContact CG1-CD1 4.11Å; V28-I67 HydrophobicContact CG1-CG1 3.95Å; V28-I67 WeakPolarHBondContact O-CG2 3.49Å; T29-I67 WeakPolarHBondContact O-CD1 3.47Å; T52-I67 HydrophobicContact CG2-CD1 3.94Å; T52-I67 HydrophobicContact CG2-CG1 3.72Å; I67-K71 CarbonylContact C-O 3.15Å; I67-K71 WeakPolarHBondContact CA-O 3.31Å
68S93.8Very high96.6Very high80 Ų8041.7 Ų41.756%0.55929%0.289SS*.EExtended strand (participates in β ladder)trans-113.8107.7178.1-171.60000109N70 K71S68-N70 PolarHBondContact O-N 2.81Å; S68-N70 VanDerWaalsContact O-N 3.14Å; S68-K71 PolarHBondContact N-O 2.9Å; S68-K71 PolarHBondContact O-N 2.96Å; S68-K71 VanDerWaalsContact O-N 3.1Å
69G92.4Very high96.7Very high74 Ų7439.1 Ų39.176%0.76326%0.262SS*.THydrogen-bonded Turntrans61.8-112.9-169.800000111.1
70N92.3Very high96.7Very high80 Ų8043.1 Ų43.143%0.42828%0.28SS..THydrogen-bonded Turntrans-108.510178.966.5-12.4000113.7V28 S68V28-N70 WeakPolarHBondContact CB-O 3.32Å; V28-N70 WeakPolarHBondContact CG2-O 3.25Å; V28-N70 PolarHBondContact N-O 3.21Å; S68-N70 PolarHBondContact O-N 2.81Å; S68-N70 VanDerWaalsContact O-N 3.14Å
71K95.3Very high96.6Very high81 Ų8145 Ų4535%0.35230%0.299SS..EExtended strand (participates in β ladder)trans-116.6153.2-178.3-53.3-166.4177.9-179.10110.8A22 I67 S68A22-K71 HydrophobicContact CB-CB 4.4Å; A22-K71 HydrophobicContact CB-CD 4.24Å; A22-K71 HydrophobicContact CB-CG 3.9Å; I67-K71 CarbonylContact C-O 3.15Å; I67-K71 WeakPolarHBondContact CA-O 3.31Å; S68-K71 PolarHBondContact N-O 2.9Å; S68-K71 PolarHBondContact O-N 2.96Å; S68-K71 VanDerWaalsContact O-N 3.1Å
72A95.6Very high96.5Very high0 Ų046 Ų460%029%0.293CS..EExtended strand (participates in β ladder)trans-78.2149.7161.400000109.9T20 C21 V28 P34 W36 A66 L91T20-A72 VanDerWaalsContact CA-O 3.24Å; T20-A72 WeakPolarHBondContact CA-O 3.29Å; T20-A72 WeakPolarHBondContact CB-O 3.46Å; C21-A72 PolarHBondContact N-O 2.99Å; C21-A72 VanDerWaalsContact N-O 3.09Å; C21-A72 PolarHBondContact O-N 2.83Å; C21-A72 WeakPolarHBondContact SG-CB 3.35Å; V28-A72 HydrophobicContact CG1-CB 4.31Å; P34-A72 HydrophobicContact CB-CB 3.37Å; P34-A72 HydrophobicContact CG-CB 3.47Å; P34-A72 VanDerWaalsContact CG-CB 3.47Å; W36-A72 HydrophobicContact CZ2-CB 4.09Å; A66-A72 WeakPolarHBondContact O-CA 3.37Å; A72-L91 HydrophobicContact CB-CD2 4.44Å
73A97.1Very high96.4Very high5 Ų544.6 Ų44.64%0.04129%0.288CS..EExtended strand (participates in β ladder)trans-128.7137174.700000109.8T18 L19 G65 A66T18-A73 HydrophobicContact CG2-CB 3.9Å; L19-A73 CarbonylContact O-C 3.57Å; L19-A73 VanDerWaalsContact O-CA 3.31Å; L19-A73 WeakPolarHBondContact O-CA 2.9Å; G65-A73 VanDerWaalsContact CA-O 3.29Å; G65-A73 WeakPolarHBondContact CA-O 3.35Å; A66-A73 PolarHBondContact N-O 3Å; A66-A73 PolarHBondContact O-N 3.1Å
74L98Very high96.3Very high0 Ų052.5 Ų52.50%033%0.325CS..EExtended strand (participates in β ladder)trans-114.6117.8163.1175.373.1000107.8T18 L19 W36 L48 I49 F63 S64 I76 Y87T18-L74 CarbonylContact C-O 3.58Å; T18-L74 VanDerWaalsContact CA-O 3.29Å; T18-L74 WeakPolarHBondContact CA-O 3.2Å; L19-L74 HydrophobicContact CB-CB 4.44Å; L19-L74 HydrophobicContact CD1-CD2 4.31Å; L19-L74 PolarHBondContact N-O 3.1Å; L19-L74 PolarHBondContact O-N 3.28Å; W36-L74 HydrophobicContact CB-CD1 4.17Å; W36-L74 HydrophobicContact CB-CD2 4.16Å; W36-L74 HydrophobicContact CD2-CB 3.47Å; W36-L74 VanDerWaalsContact CD2-CB 3.47Å; W36-L74 HydrophobicContact CD2-CD2 4.05Å; W36-L74 HydrophobicContact CD2-CG 4.24Å; W36-L74 VanDerWaalsContact CE2-CB 3.47Å; W36-L74 HydrophobicContact CE3-CB 3.81Å; W36-L74 HydrophobicContact CE3-CD2 3.88Å; W36-L74 HydrophobicContact CE3-CG 4.46Å; W36-L74 HydrophobicContact CG-CB 3.85Å; W36-L74 HydrophobicContact CG-CD1 4.11Å; W36-L74 HydrophobicContact CG-CD2 4.19Å; W36-L74 HydrophobicContact CG-CG 4.28Å; W36-L74 HydrophobicContact CH2-CB 4.13Å; W36-L74 HydrophobicContact CZ2-CB 3.82Å; W36-L74 HydrophobicContact CZ3-CB 4.13Å; L48-L74 HydrophobicContact CD1-CD2 4.05Å; I49-L74 HydrophobicContact CG1-CD1 3.67Å; F63-L74 HydrophobicContact CD1-CD1 4.49Å; S64-L74 CarbonylContact O-C 3.57Å; S64-L74 WeakPolarHBondContact O-CA 3.35Å; L74-I76 HydrophobicContact CG-CG1 4.4Å; L74-Y87 HydrophobicContact CD2-CD1 3.7Å; L74-Y87 HydrophobicContact CD2-CE1 4.05Å
75T98.3Very high96.2Very high34 Ų3451.2 Ų51.221%0.20932%0.318CS..EExtended strand (participates in β ladder)trans-102.9131.3175.5-59.30000109.6T16 V17 T18 F63 S64 T77T16-T75 HydrophobicContact CG2-CG2 3.79Å; V17-T75 WeakPolarHBondContact O-CA 3.47Å; T18-T75 PolarHBondContact OG1-OG1 3.49Å; F63-T75 WeakPolarHBondContact CA-O 3.3Å; S64-T75 PolarHBondContact N-O 2.96Å; S64-T75 PolarHBondContact O-N 2.88Å; T75-T77 HydrophobicContact CG2-CG2 4.12Å
76I98.4Very high96.2Very high4 Ų455.5 Ų55.52%0.02134%0.338CS..EExtended strand (participates in β ladder)trans-117.9109.1173.8-47.2174.9000106.4T16 V17 R62 F63 L74 Y87T16-I76 VanDerWaalsContact CA-O 3.28Å; T16-I76 WeakPolarHBondContact CA-O 3.33Å; V17-I76 HydrophobicContact CG1-CB 3.89Å; V17-I76 HydrophobicContact CG1-CD1 4.14Å; V17-I76 HydrophobicContact CG1-CG1 4.25Å; V17-I76 PolarHBondContact N-O 2.86Å; V17-I76 PolarHBondContact O-N 2.99Å; R62-I76 HydrophobicContact CG-CG2 4.41Å; R62-I76 WeakPolarHBondContact O-CA 3.28Å; F63-I76 HydrophobicContact CD1-CD1 4.2Å; F63-I76 HydrophobicContact CD1-CG1 3.76Å; F63-I76 HydrophobicContact CD1-CG2 4.29Å; F63-I76 HydrophobicContact CE1-CB 4.49Å; F63-I76 HydrophobicContact CE1-CD1 3.74Å; F63-I76 HydrophobicContact CE1-CG1 3.78Å; F63-I76 HydrophobicContact CE1-CG2 3.98Å; F63-I76 HydrophobicContact CZ-CG2 4.35Å; L74-I76 HydrophobicContact CG-CG1 4.4Å; I76-Y87 HydrophobicContact CD1-CE1 3.69Å; I76-Y87 HydrophobicContact CD1-CE2 4.4Å; I76-Y87 WeakPolarHBondContact CD1-OH 3.5Å
77T98.4Very high96.2Very high63 Ų6354.8 Ų54.839%0.38733%0.326SS..SBendtrans-92.7147.3174.357.90000110T16 R62 T75 A79T16-T77 HydrophobicContact CG2-CG2 3.96Å; R62-T77 VanDerWaalsContact CB-O 3.25Å; R62-T77 WeakPolarHBondContact CB-O 3.4Å; R62-T77 PolarHBondContact O-N 2.82Å; R62-T77 PolarHBondContact O-OG1 2.9Å; T75-T77 HydrophobicContact CG2-CG2 4.12Å; T77-A79 PolarHBondContact O-N 2.01Å
78G98Very high96.2Very high32 Ų3256.5 Ų56.533%0.3333%0.331SS..SBendtrans62.146.2175.700000112.4G14 G15 Q80G14-G78 WeakPolarHBondContact O-CA 3.44Å; G15-G78 PolarHBondContact O-N 3.19Å; G78-Q80 WeakPolarHBondContact O-CG 3.09Å; G78-Q80 PolarHBondContact O-N 3.12Å
79A97.7Very high96.2Very high10 Ų1052.8 Ų52.88%0.08331%0.305CS..  trans-52132.4-175.200000112V11 G14 G15 T77V11-A79 HydrophobicContact CG1-CB 3.66Å; G14-A79 PolarHBondContact N-O 2.83Å; G15-A79 PolarHBondContact O-N 3.32Å; T77-A79 PolarHBondContact O-N 2.01Å
80Q97.3Very high96.3Very high95 Ų9549.3 Ų49.344%0.44427%0.27SS..  trans-112.3166.5-178.3-52.9-171.9-43.900110.8G78 E82 D83G78-Q80 WeakPolarHBondContact O-CG 3.09Å; G78-Q80 PolarHBondContact O-N 3.12Å; Q80-E82 WeakPolarHBondContact CB-OE2 3.37Å; Q80-E82 PolarHBondContact O-N 3.09Å; Q80-E82 PolarHBondContact OE1-OE2 2.86Å; Q80-D83 PolarHBondContact N-OD2 2.97Å; Q80-D83 WeakPolarHBondContact O-CB 2.97Å; Q80-D83 PolarHBondContact O-N 3.14Å
81A94.9Very high96.2Very high80 Ų8045.5 Ų45.566%0.66125%0.249SC*.G310 helixtrans-60.4-31.8178.400000112D83 E84A81-D83 PolarHBondContact O-N 3.12Å; A81-E84 WeakPolarHBondContact O-CB 3.48Å; A81-E84 PolarHBondContact O-N 3.14Å
82E94.2Very high95.7Very high122 Ų12244.4 Ų44.457%0.5724%0.244SC*.G310 helixtrans-73.9-9177.6-46.877.7-151.500113.2Q38 Q80 E84Q38-E82 PolarHBondContact NE2-O 3.15Å; Q38-E82 VanDerWaalsContact NE2-O 3.17Å; Q80-E82 WeakPolarHBondContact CB-OE2 3.37Å; Q80-E82 PolarHBondContact O-N 3.09Å; Q80-E82 PolarHBondContact OE1-OE2 2.86Å; E82-E84 VanDerWaalsContact C-N 3.31Å
83D96.1Very high95Very high13 Ų1347.8 Ų47.87%0.0726%0.258CS..G310 helixtrans-85.4-6.3176.1-58.2-29.2000111.7R62 F63 Q80 A81 A85 Y87R62-D83 IonicContact CZ-OD1 3.4Å; R62-D83 IonicContact CZ-OD2 3.67Å; R62-D83 IonicContact NE-OD1 3.27Å; R62-D83 PolarHBondContact NE-OD1 2.78Å; R62-D83 IonicContact NE-OD2 2.95Å; R62-D83 PolarHBondContact NE-OD2 2.95Å; R62-D83 IonicContact NH2-OD1 2.72Å; R62-D83 PolarHBondContact NH2-OD1 2.81Å; R62-D83 IonicContact NH2-OD2 3.64Å; F63-D83 VanDerWaalsContact CZ-OD1 3.25Å; F63-D83 WeakPolarHBondContact CZ-OD1 3.41Å; Q80-D83 PolarHBondContact N-OD2 2.97Å; Q80-D83 WeakPolarHBondContact O-CB 2.97Å; Q80-D83 PolarHBondContact O-N 3.14Å; A81-D83 PolarHBondContact O-N 3.12Å; D83-A85 PolarHBondContact O-N 3.39Å; D83-A85 VanDerWaalsContact O-N 3.15Å; D83-Y87 VanDerWaalsContact O-CE2 3.31Å; D83-Y87 WeakPolarHBondContact O-CE2 3.38Å; D83-Y87 PolarHBondContact O-OH 3.19Å
84E96.4Very high93.7Very high169 Ų16952 Ų5279%0.7929%0.287SS*.  trans-71.9102.8171.9-170.5173.8173.400110.3A81 E82A81-E84 WeakPolarHBondContact O-CB 3.48Å; A81-E84 PolarHBondContact O-N 3.14Å; E82-E84 VanDerWaalsContact C-N 3.31Å
85A96.8Very high92Very high26 Ų2656 Ų5622%0.21532%0.315CS..SBendtrans-162.9167.9-170.100000111Q38 Q39 T40 D83 Y87Q38-A85 HydrophobicContact CG-CB 3.43Å; Q38-A85 VanDerWaalsContact CG-CB 3.43Å; Q39-A85 WeakPolarHBondContact O-CB 3.47Å; T40-A85 HydrophobicContact CG2-CB 3.92Å; D83-A85 PolarHBondContact O-N 3.39Å; D83-A85 VanDerWaalsContact O-N 3.15Å; A85-Y87 HydrophobicContact CB-CE2 3.98Å; A85-Y87 VanDerWaalsContact O-CD2 3.23Å; A85-Y87 WeakPolarHBondContact O-CD2 3.24Å; A85-Y87 WeakPolarHBondContact O-CE2 2.96Å
86D97.2Very high89.9Confident101 Ų10158.8 Ų58.854%0.5434%0.342SS..EExtended strand (participates in β ladder)trans-79.6137.7164.4-66.7-48.4000109.8Q38 Q39 F88Q38-D86 CarbonylContact C-O 3.58Å; Q38-D86 WeakPolarHBondContact CA-O 3.24Å; Q39-D86 HydrophobicContact CB-CB 4.45Å; Q39-D86 PolarHBondContact N-O 2.6Å; Q39-D86 PolarHBondContact O-N 3.12Å; D86-F88 HydrophobicContact CB-CE2 3.75Å; D86-F88 HydrophobicContact CB-CZ 3.8Å
87Y96.9Very high87.8Confident32 Ų3266.7 Ų66.713%0.12538%0.384CS..EExtended strand (participates in β ladder)trans-119.3130.1179.9-70-96.4000111Q5 L19 F37 Q38 L48 F63 L74 I76 D83 A85Q5-Y87 PolarHBondContact NE2-O 2.71Å; Q5-Y87 VanDerWaalsContact NE2-O 3.1Å; L19-Y87 VanDerWaalsContact CD1-CB 3.44Å; L19-Y87 HydrophobicContact CD1-CD1 3.86Å; L19-Y87 HydrophobicContact CD1-CD2 3.74Å; L19-Y87 HydrophobicContact CD1-CE2 4.45Å; L19-Y87 HydrophobicContact CD1-CG 3.4Å; F37-Y87 WeakPolarHBondContact O-CA 3.3Å; Q38-Y87 HydrophobicContact CB-CD1 4.3Å; Q38-Y87 HydrophobicContact CB-CE1 4.06Å; Q38-Y87 HydrophobicContact CG-CD1 4.44Å; Q38-Y87 HydrophobicContact CG-CE1 3.91Å; Q38-Y87 PolarHBondContact NE2-OH 2.98Å; L48-Y87 HydrophobicContact CD1-CD1 4Å; L48-Y87 HydrophobicContact CD1-CE1 3.62Å; F63-Y87 HydrophobicContact CE1-CE1 4.27Å; L74-Y87 HydrophobicContact CD2-CD1 3.7Å; L74-Y87 HydrophobicContact CD2-CE1 4.05Å; I76-Y87 HydrophobicContact CD1-CE1 3.69Å; I76-Y87 HydrophobicContact CD1-CE2 4.4Å; I76-Y87 WeakPolarHBondContact CD1-OH 3.5Å; D83-Y87 VanDerWaalsContact O-CE2 3.31Å; D83-Y87 WeakPolarHBondContact O-CE2 3.38Å; D83-Y87 PolarHBondContact O-OH 3.19Å; A85-Y87 HydrophobicContact CB-CE2 3.98Å; A85-Y87 VanDerWaalsContact O-CD2 3.23Å; A85-Y87 WeakPolarHBondContact O-CD2 3.24Å; A85-Y87 WeakPolarHBondContact O-CE2 2.96Å
88F95.4Very high85.8Confident85 Ų8565.6 Ų65.637%0.37338%0.382SS..EExtended strand (participates in β ladder)trans-121.7136.2-178.1-54.9-81.3000110.7W36 F37 Q39 D86W36-F88 CarbonylContact C-O 3.09Å; W36-F88 WeakPolarHBondContact CA-O 3.24Å; F37-F88 HydrophobicContact CB-CB 4.39Å; F37-F88 PolarHBondContact N-O 3.09Å; F37-F88 PolarHBondContact O-N 2.64Å; Q39-F88 HydrophobicContact CB-CD2 4.36Å; Q39-F88 HydrophobicContact CB-CE2 3.74Å; D86-F88 HydrophobicContact CB-CE2 3.75Å; D86-F88 HydrophobicContact CB-CZ 3.8Å
89C94.7Very high84Confident2 Ų267.7 Ų67.71%0.01439%0.388CS..EExtended strand (participates in β ladder)trans-106.9133.7171.1164.50000110.1C21 S35 W36C21-C89 HydrophobicContact CB-CB 3.27Å; C21-C89 WeakPolarHBondContact CB-SG 3.48Å; C21-C89 WeakPolarHBondContact SG-CB 3.36Å; C21-C89 CovalentContact SG-SG 2.01Å; C21-C89 PolarHBondContact SG-SG 3.36Å; S35-C89 WeakPolarHBondContact O-CA 3.2Å; W36-C89 HydrophobicContact CD2-CB 4.25Å; W36-C89 HydrophobicContact CE3-CB 3.98Å; W36-C89 HydrophobicContact CH2-CB 4.06Å; W36-C89 HydrophobicContact CZ2-CB 4.32Å; W36-C89 HydrophobicContact CZ3-CB 3.88Å
90A92.7Very high82.2Confident2 Ų268.5 Ų68.52%0.01739%0.392CS..EExtended strand (participates in β ladder)trans-111131.3166.200000109.4P34 S35 F37 Y92 M101P34-A90 CarbonylContact C-O 3.58Å; P34-A90 WeakPolarHBondContact CA-O 3.27Å; S35-A90 PolarHBondContact N-O 2.93Å; S35-A90 PolarHBondContact O-N 2.75Å; F37-A90 HydrophobicContact CE2-CB 3.94Å; A90-Y92 HydrophobicContact CB-CE2 3.8Å; A90-M101 HydrophobicContact CB-CG 4.34Å
91L90.9Very high80.5Confident0 Ų073 Ų730%042%0.415CS..EExtended strand (participates in β ladder)trans-107.7117.5174.8-60.9177.4000109.5V3 F23 V28 P34 A72 V100V3-L91 HydrophobicContact CG1-CD1 4.45Å; V3-L91 HydrophobicContact CG2-CD1 4.16Å; V3-L91 HydrophobicContact CG2-CG 4.27Å; F23-L91 HydrophobicContact CD1-CB 4.4Å; F23-L91 HydrophobicContact CD1-CD1 3.68Å; F23-L91 HydrophobicContact CD2-CD1 3.77Å; F23-L91 HydrophobicContact CE1-CB 3.54Å; F23-L91 HydrophobicContact CE1-CD1 3.66Å; F23-L91 HydrophobicContact CE1-CG 4.24Å; F23-L91 HydrophobicContact CE2-CB 4.04Å; F23-L91 HydrophobicContact CE2-CD1 3.68Å; F23-L91 HydrophobicContact CE2-CG 4.39Å; F23-L91 HydrophobicContact CG-CD1 3.77Å; F23-L91 HydrophobicContact CZ-CB 3.33Å; F23-L91 HydrophobicContact CZ-CD1 3.68Å; F23-L91 HydrophobicContact CZ-CG 4.1Å; V28-L91 HydrophobicContact CG1-CD2 4.08Å; V28-L91 HydrophobicContact CG2-CD1 3.83Å; V28-L91 HydrophobicContact CG2-CD2 3.89Å; P34-L91 HydrophobicContact CB-CD2 3.7Å; A72-L91 HydrophobicContact CB-CD2 4.44Å; L91-V100 PolarHBondContact N-O 2.84Å; L91-V100 PolarHBondContact O-N 3.32Å; L91-V100 VanDerWaalsContact O-N 3.12Å
92Y85.2Confident79.8Confident58 Ų5872.7 Ų72.723%0.22740%0.403CS..EExtended strand (participates in β ladder)trans-95.6140.8179.2-61.9-88.2000109.6N32 Y33 S35 A90 T99N32-Y92 CarbonylContact C-O 3.19Å; N32-Y92 WeakPolarHBondContact CA-O 3.3Å; N32-Y92 WeakPolarHBondContact CB-O 3.17Å; Y33-Y92 HydrophobicContact CD2-CD2 4.13Å; Y33-Y92 AromaticContact CE2-CD2 3.85Å; Y33-Y92 HydrophobicContact CE2-CD2 3.85Å; Y33-Y92 AromaticContact CE2-CG 3.99Å; Y33-Y92 HydrophobicContact CE2-CG 3.99Å; Y33-Y92 PolarHBondContact N-O 3.1Å; Y33-Y92 PolarHBondContact O-N 2.82Å; Y33-Y92 VanDerWaalsContact O-N 3.1Å; S35-Y92 WeakPolarHBondContact OG-CE2 3.41Å; A90-Y92 HydrophobicContact CB-CE2 3.8Å; Y92-T99 HydrophobicContact CD1-CG2 4.09Å; Y92-T99 WeakPolarHBondContact CD1-OG1 3.46Å; Y92-T99 HydrophobicContact CE1-CG2 3.6Å; Y92-T99 VanDerWaalsContact CE1-OG1 3.3Å; Y92-T99 WeakPolarHBondContact CE1-OG1 3.47Å
93K80.1Confident79Confident70 Ų7070.1 Ų70.130%0.30439%0.394SS..EExtended strand (participates in β ladder)trans-99.8136.2168.6-66.9-176.4178.5-177.90110.1Q1 N32 S95 A98Q1-K93 VanDerWaalsContact OE1-CE 3.23Å; N32-K93 HydrophobicContact CB-CG 4.34Å; K93-S95 PolarHBondContact O-N 2.74Å; K93-A98 HydrophobicContact CB-CB 4.47Å; K93-A98 PolarHBondContact N-O 3.17Å; K93-A98 VanDerWaalsContact N-O 3.14Å
94S70.3Confident78Confident93 Ų9373.2 Ų73.265%0.6541%0.412SS*.THydrogen-bonded Turntrans-59-23.2174.5166.50000113.7S31 A96S31-S94 WeakPolarHBondContact O-CB 3.4Å; S31-S94 PolarHBondContact O-N 2.95Å; S94-A96 PolarHBondContact O-N 2.82Å; S94-A96 VanDerWaalsContact O-N 3.12Å
95S61.5Low77Confident85 Ų8567.6 Ų67.659%0.59439%0.39SS*.THydrogen-bonded Turntrans-76.5101.8174.660.30000111.1K93 N97K93-S95 PolarHBondContact O-N 2.74Å; S95-N97 PolarHBondContact O-N 3.02Å
96A55.1Low75.7Confident93 Ų9370.2 Ų70.277%0.76940%0.401SS*.THydrogen-bonded Turntrans23.787.4165.800000115.8S94S94-A96 PolarHBondContact O-N 2.82Å; S94-A96 VanDerWaalsContact O-N 3.12Å
97N53.4Low74.3Confident170 Ų17068.1 Ų68.191%0.90939%0.392SS*.THydrogen-bonded Turntrans6839.6160.2-60.3-26.9000118.4S95S95-N97 PolarHBondContact O-N 3.02Å
98A56.6Low72.7Confident40 Ų4070.7 Ų70.733%0.33141%0.411SS..EExtended strand (participates in β ladder)trans-107.4103.416500000111.4K93K93-A98 HydrophobicContact CB-CB 4.47Å; K93-A98 PolarHBondContact N-O 3.17Å; K93-A98 VanDerWaalsContact N-O 3.14Å
99T61.4Low70.9Confident75 Ų7569.6 Ų69.646%0.4641%0.414SS..EExtended strand (participates in β ladder)trans-92125.2165.4-56.40000108.1Y92 M101Y92-T99 HydrophobicContact CD1-CG2 4.09Å; Y92-T99 WeakPolarHBondContact CD1-OG1 3.46Å; Y92-T99 HydrophobicContact CE1-CG2 3.6Å; Y92-T99 VanDerWaalsContact CE1-OG1 3.3Å; Y92-T99 WeakPolarHBondContact CE1-OG1 3.47Å; T99-M101 HydrophobicContact CG2-CG 4.01Å
100V60.2Low69Low28 Ų2875.3 Ų75.317%0.1745%0.447CS..EExtended strand (participates in β ladder)trans-113.2113.5169.1-166.60000106.7Q1 V3 F23 L91Q1-V100 WeakPolarHBondContact O-CG1 3.06Å; V3-V100 HydrophobicContact CG2-CB 4.27Å; V3-V100 HydrophobicContact CG2-CG1 3.94Å; V3-V100 WeakPolarHBondContact CG2-O 3.29Å; F23-V100 HydrophobicContact CE1-CB 4.41Å; F23-V100 HydrophobicContact CE1-CG2 4.4Å; L91-V100 PolarHBondContact N-O 2.84Å; L91-V100 PolarHBondContact O-N 3.32Å; L91-V100 VanDerWaalsContact O-N 3.12Å
101M60.4Low66.8Low189 Ų18981.9 Ų81.993%0.93149%0.486SS*.  trans-93.20171.9-63.6-171-71.600109.6A90 T99A90-M101 HydrophobicContact CB-CG 4.34Å; T99-M101 HydrophobicContact CG2-CG 4.01Å

Retrieved 101 of 101 residues in 60.9 ms (Link to these results)