A0A146MG63_SCHMA Loading...

Ubiquitin-ribosomal protein eS31 fusion protein

AlphaFold DB (A0A671ESN2), UniProt , Accession A0A146MG63, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 156 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
1M93Very high93.1Very high74 Ų7466.3 Ų66.337%0.36536%0.359SS..  0159.7071.2169.4107.900110.2I3 V17 P19 K63M1-I3 HydrophobicContact SD-CG2 4.39Å; M1-V17 HydrophobicContact CG-CG2 3.93Å; M1-V17 VanDerWaalsContact CG-O 3.31Å; M1-V17 WeakPolarHBondContact CG-O 3.39Å; M1-V17 PolarHBondContact N-O 2.79Å; M1-V17 PolarHBondContact O-N 2.77Å; M1-P19 HydrophobicContact CE-CB 3.37Å; M1-P19 HydrophobicContact CE-CG 3.82Å; M1-K63 HydrophobicContact CB-CB 4.29Å
2Q93.5Very high93.2Very high74 Ų7466.4 Ų66.435%0.34636%0.364SS..EExtended strand (participates in β ladder)trans-106.3133.3178.7-173.4174.7-0.400110.3L15 E64Q2-L15 WeakPolarHBondContact CA-O 3.23Å; Q2-E64 PolarHBondContact O-N 3.48Å
3I96.4Very high93.4Very high0 Ų062.3 Ų62.30%034%0.341CS..EExtended strand (participates in β ladder)trans-126.8162.317561.2169.5000110.4M1 L15 V17 V26 L56 I61 L67M1-I3 HydrophobicContact SD-CG2 4.39Å; I3-L15 HydrophobicContact CD1-CB 4.43Å; I3-L15 HydrophobicContact CG1-CB 3.95Å; I3-L15 PolarHBondContact N-O 2.93Å; I3-L15 PolarHBondContact O-N 2.91Å; I3-V17 HydrophobicContact CB-CG2 4.44Å; I3-V17 HydrophobicContact CD1-CB 4.47Å; I3-V17 HydrophobicContact CD1-CG1 3.99Å; I3-V17 HydrophobicContact CD1-CG2 3.68Å; I3-V17 HydrophobicContact CG1-CG1 4.31Å; I3-V17 HydrophobicContact CG1-CG2 3.72Å; I3-V17 HydrophobicContact CG2-CG2 3.94Å; I3-V26 HydrophobicContact CD1-CG1 4.39Å; I3-L56 HydrophobicContact CD1-CD1 4.49Å; I3-I61 HydrophobicContact CG2-CG2 4.14Å; I3-L67 HydrophobicContact CB-CD1 4.35Å; I3-L67 HydrophobicContact CD1-CD1 3.69Å; I3-L67 HydrophobicContact CG1-CD1 4.45Å
4F96.7Very high93.5Very high55 Ų5562.5 Ų62.524%0.24135%0.345CS..EExtended strand (participates in β ladder)trans-114.2138178.5-59.6-76.3000110.9T12 I13 T14 E64 S65 T66 L67F4-T12 HydrophobicContact CB-CG2 3.93Å; F4-T12 HydrophobicContact CD1-CG2 3.97Å; F4-T12 HydrophobicContact CG-CG2 4.33Å; F4-I13 CarbonylContact C-O 3.57Å; F4-I13 WeakPolarHBondContact CA-O 3.39Å; F4-T14 HydrophobicContact CD1-CG2 3.83Å; F4-T14 HydrophobicContact CE1-CG2 3.67Å; F4-E64 HydrophobicContact CE2-CB 3.99Å; F4-E64 HydrophobicContact CE2-CG 3.97Å; F4-S65 PolarHBondContact N-O 2.78Å; F4-T66 HydrophobicContact CB-CG2 4.05Å; F4-T66 HydrophobicContact CD2-CG2 4.37Å; F4-T66 CarbonylContact O-C 3.58Å; F4-T66 WeakPolarHBondContact O-CA 3.41Å; F4-L67 PolarHBondContact O-N 3.48Å
5V96.1Very high93.7Very high0 Ų058.6 Ų58.60%032%0.323CS..EExtended strand (participates in β ladder)trans-118.3115173.6-177.30000108.9T12 I13 L15 I30 L43 L67 L69V5-T12 CarbonylContact O-C 3.54Å; V5-T12 WeakPolarHBondContact O-CA 3.44Å; V5-I13 HydrophobicContact CB-CB 4.44Å; V5-I13 PolarHBondContact N-O 2.84Å; V5-I13 PolarHBondContact O-N 3.18Å; V5-L15 HydrophobicContact CG2-CD1 3.56Å; V5-L15 HydrophobicContact CG2-CG 4.33Å; V5-I30 HydrophobicContact CG1-CD1 4.19Å; V5-I30 HydrophobicContact CG2-CD1 4.12Å; V5-L43 HydrophobicContact CG1-CD2 4.33Å; V5-L67 CarbonylContact C-O 3.6Å; V5-L67 WeakPolarHBondContact CA-O 3.29Å; V5-L67 HydrophobicContact CG2-CB 4.47Å; V5-L69 HydrophobicContact CG1-CB 3.64Å
6K96.2Very high93.7Very high89 Ų8964.9 Ų64.939%0.38735%0.35SS..EExtended strand (participates in β ladder)trans-91.3119.5173.7-77.5-174.6177.3178.60110.1T12 L67 H68 L69K6-T12 HydrophobicContact CG-CG2 4.28Å; K6-L67 PolarHBondContact N-O 2.7Å; K6-H68 CarbonylContact O-C 3.54Å; K6-H68 WeakPolarHBondContact O-CA 3.31Å; K6-L69 PolarHBondContact O-N 2.77Å
7T92.6Very high93.8Very high17 Ų1761.2 Ų61.210%0.10433%0.33CS..EExtended strand (participates in β ladder)trans-79.3164.1172.962.30000111.3T9 G10 K11 I13 L69T7-T9 PolarHBondContact O-N 2.95Å; T7-T9 PolarHBondContact OG1-OG1 2.98Å; T7-G10 PolarHBondContact O-N 2.7Å; T7-K11 PolarHBondContact N-O 2.92Å; T7-K11 WeakPolarHBondContact OG1-CB 3.47Å; T7-K11 PolarHBondContact OG1-N 2.72Å; T7-K11 PolarHBondContact OG1-O 2.75Å; T7-I13 HydrophobicContact CG2-CD1 3.77Å; T7-L69 HydrophobicContact CG2-CD2 4.22Å
8L88.3Confident93.8Very high124 Ų12464.6 Ų64.665%0.64934%0.343SS*.THydrogen-bonded Turntrans-58.2-26.2174-69175.6000113.7G10 V70L8-G10 PolarHBondContact O-N 2.97Å; L8-V70 HydrophobicContact CD1-CG1 4.2Å; L8-V70 HydrophobicContact CD2-CG1 4.41Å; L8-V70 HydrophobicContact CD2-CG2 4.05Å
9T87.8Confident93.7Very high125 Ų12564.6 Ų64.677%0.76735%0.347SS*.THydrogen-bonded Turntrans-81.71.8178.757.90000112.8T7 K11T7-T9 PolarHBondContact O-N 2.95Å; T7-T9 PolarHBondContact OG1-OG1 2.98Å; T9-K11 VanDerWaalsContact C-N 3.28Å; T9-K11 PolarHBondContact O-N 2.84Å
10G90Very high93.7Very high58 Ų5864.9 Ų64.960%0.59835%0.354SS*.SBendtrans83.1-3.6-178.100000114.3T7 L8T7-G10 PolarHBondContact O-N 2.7Å; L8-G10 PolarHBondContact O-N 2.97Å
11K93.6Very high93.7Very high113 Ų11362.8 Ų62.849%0.49134%0.343SS..  trans-68.6132.6174.3-172.5-174.2179.9-1660109.9T7 T9 E34T7-K11 PolarHBondContact N-O 2.92Å; T7-K11 WeakPolarHBondContact OG1-CB 3.47Å; T7-K11 PolarHBondContact OG1-N 2.72Å; T7-K11 PolarHBondContact OG1-O 2.75Å; T9-K11 VanDerWaalsContact C-N 3.28Å; T9-K11 PolarHBondContact O-N 2.84Å; K11-E34 WeakPolarHBondContact CE-OE1 3.35Å; K11-E34 IonicContact NZ-OE1 3.53Å; K11-E34 PolarHBondContact NZ-OE1 2.97Å; K11-E34 IonicContact NZ-OE2 2.7Å
12T94.9Very high93.9Very high68 Ų6861.2 Ų61.242%0.41734%0.337SS..EExtended strand (participates in β ladder)trans-105.8127.5176.8-54.30000109.8F4 V5 K6F4-T12 HydrophobicContact CB-CG2 3.93Å; F4-T12 HydrophobicContact CD1-CG2 3.97Å; F4-T12 HydrophobicContact CG-CG2 4.33Å; V5-T12 CarbonylContact O-C 3.54Å; V5-T12 WeakPolarHBondContact O-CA 3.44Å; K6-T12 HydrophobicContact CG-CG2 4.28Å
13I94.9Very high94Very high13 Ų1357.7 Ų57.77%0.06732%0.321CS..EExtended strand (participates in β ladder)trans-110.5135.6-179.6-54.9155.9000108.1F4 V5 T7 L15 K33 E34F4-I13 CarbonylContact C-O 3.57Å; F4-I13 WeakPolarHBondContact CA-O 3.39Å; V5-I13 HydrophobicContact CB-CB 4.44Å; V5-I13 PolarHBondContact N-O 2.84Å; V5-I13 PolarHBondContact O-N 3.18Å; T7-I13 HydrophobicContact CG2-CD1 3.77Å; I13-L15 HydrophobicContact CG2-CD2 4.29Å; I13-L15 HydrophobicContact CG2-CG 4.49Å; I13-K33 HydrophobicContact CG2-CD 3.72Å; I13-E34 HydrophobicContact CD1-CG 3.32Å; I13-E34 WeakPolarHBondContact CD1-OE1 3.39Å; I13-E34 HydrophobicContact CG1-CG 4.41Å
14T95.7Very high93.9Very high65 Ų6563.4 Ų63.440%0.39935%0.348SS..EExtended strand (participates in β ladder)trans-90.8135.2172.351.60000110F4 K33F4-T14 HydrophobicContact CD1-CG2 3.83Å; F4-T14 HydrophobicContact CE1-CG2 3.67Å; T14-K33 PolarHBondContact O-NZ 3.1Å
15L95.3Very high93.8Very high4 Ų464.4 Ų64.42%0.02136%0.356CS..EExtended strand (participates in β ladder)trans-128.8138.8174.6-63.6173.6000110.8Q2 I3 V5 I13 V17 V26 K29 I30 K33Q2-L15 WeakPolarHBondContact CA-O 3.23Å; I3-L15 HydrophobicContact CD1-CB 4.43Å; I3-L15 HydrophobicContact CG1-CB 3.95Å; I3-L15 PolarHBondContact N-O 2.93Å; I3-L15 PolarHBondContact O-N 2.91Å; V5-L15 HydrophobicContact CG2-CD1 3.56Å; V5-L15 HydrophobicContact CG2-CG 4.33Å; I13-L15 HydrophobicContact CG2-CD2 4.29Å; I13-L15 HydrophobicContact CG2-CG 4.49Å; L15-V17 HydrophobicContact CB-CG1 4.14Å; L15-V26 HydrophobicContact CD1-CG1 4.2Å; L15-K29 HydrophobicContact CD2-CB 4.3Å; L15-I30 HydrophobicContact CD1-CD1 4.1Å; L15-I30 HydrophobicContact CD1-CG1 3.52Å; L15-K33 HydrophobicContact CD2-CD 3.76Å
16E94.6Very high93.8Very high159 Ų15964.4 Ų64.474%0.74336%0.356SS*.EExtended strand (participates in β ladder)trans-95.9118.4169.8-67.4-173.7169.800109.2K29E16-K29 PolarHBondContact O-NZ 2.97Å
17V94.8Very high93.7Very high3 Ų360.7 Ų60.72%0.01834%0.34CS..  trans-140.9155.6-172.2-61.60000110.8M1 I3 L15 D21 V26 K29 L56M1-V17 HydrophobicContact CG-CG2 3.93Å; M1-V17 VanDerWaalsContact CG-O 3.31Å; M1-V17 WeakPolarHBondContact CG-O 3.39Å; M1-V17 PolarHBondContact N-O 2.79Å; M1-V17 PolarHBondContact O-N 2.77Å; I3-V17 HydrophobicContact CB-CG2 4.44Å; I3-V17 HydrophobicContact CD1-CB 4.47Å; I3-V17 HydrophobicContact CD1-CG1 3.99Å; I3-V17 HydrophobicContact CD1-CG2 3.68Å; I3-V17 HydrophobicContact CG1-CG1 4.31Å; I3-V17 HydrophobicContact CG1-CG2 3.72Å; I3-V17 HydrophobicContact CG2-CG2 3.94Å; L15-V17 HydrophobicContact CB-CG1 4.14Å; V17-D21 WeakPolarHBondContact CA-OD2 3.48Å; V17-V26 HydrophobicContact CG1-CG2 4.18Å; V17-K29 HydrophobicContact CG1-CD 4.14Å; V17-L56 HydrophobicContact CB-CD1 3.75Å; V17-L56 HydrophobicContact CG1-CD1 4.41Å; V17-L56 HydrophobicContact CG2-CD1 3.45Å; V17-L56 VanDerWaalsContact CG2-CD1 3.45Å
18E94.3Very high93.8Very high122 Ų12261.7 Ų61.757%0.5735%0.349SS*.  trans-99.2150.3170.7-66.2-170.4170.600110.5S20 D21E18-S20 WeakPolarHBondContact CB-OG 3.33Å; E18-S20 PolarHBondContact O-N 3.39Å; E18-D21 PolarHBondContact N-OD2 2.95Å; E18-D21 VanDerWaalsContact O-CB 3.28Å; E18-D21 WeakPolarHBondContact O-CB 3.4Å; E18-D21 PolarHBondContact O-N 3.22Å
19P92.1Very high94.1Very high64 Ų6459 Ų5942%0.41633%0.332SS..THydrogen-bonded Turntrans-58.1-29.117717.6-25.6000113.1M1 D21 L56 S57M1-P19 HydrophobicContact CE-CB 3.37Å; M1-P19 HydrophobicContact CE-CG 3.82Å; P19-D21 VanDerWaalsContact C-N 3.31Å; P19-L56 PolarHBondContact O-N 3.08Å; P19-S57 PolarHBondContact O-N 3.36Å; P19-S57 PolarHBondContact O-OG 3.46Å; P19-S57 VanDerWaalsContact O-OG 3.1Å
20S93.8Very high94.4Very high70 Ų7053 Ų5349%0.4930%0.296SS..THydrogen-bonded Turntrans-73.9-14.2174.841.50000114.1E18 T22E18-S20 WeakPolarHBondContact CB-OG 3.33Å; E18-S20 PolarHBondContact O-N 3.39Å; S20-T22 PolarHBondContact O-N 2.84Å
21D94.1Very high94.6Very high22 Ų2254 Ų5412%0.11829%0.285CS..  trans-62.3134178.5-81-27.9000110V17 E18 P19 N25 V26 K29 T55 L56V17-D21 WeakPolarHBondContact CA-OD2 3.48Å; E18-D21 PolarHBondContact N-OD2 2.95Å; E18-D21 VanDerWaalsContact O-CB 3.28Å; E18-D21 WeakPolarHBondContact O-CB 3.4Å; E18-D21 PolarHBondContact O-N 3.22Å; P19-D21 VanDerWaalsContact C-N 3.31Å; D21-N25 HydrophobicContact CB-CB 4.5Å; D21-V26 HydrophobicContact CB-CG2 4.37Å; D21-K29 IonicContact OD2-NZ 3.97Å; D21-K29 PolarHBondContact OD2-NZ 2.9Å; D21-T55 WeakPolarHBondContact O-CA 3.47Å; D21-L56 HydrophobicContact CB-CD1 4.34Å; D21-L56 PolarHBondContact O-N 3.03Å
22T95.9Very high94.6Very high40 Ų4055 Ų5525%0.24530%0.296CS..BIsolated β-bridgetrans-72.9156.6171.160.60000110.8S20 E24 N25 V26 R54 T55S20-T22 PolarHBondContact O-N 2.84Å; T22-E24 PolarHBondContact O-N 3.26Å; T22-N25 WeakPolarHBondContact O-CB 3.49Å; T22-N25 PolarHBondContact O-N 3.2Å; T22-N25 VanDerWaalsContact O-N 3.1Å; T22-N25 VanDerWaalsContact OG1-CG 3.26Å; T22-N25 PolarHBondContact OG1-N 2.97Å; T22-N25 PolarHBondContact OG1-OD1 3.18Å; T22-V26 WeakPolarHBondContact O-CG2 3.41Å; T22-V26 PolarHBondContact O-N 2.94Å; T22-V26 VanDerWaalsContact O-N 3.09Å; T22-R54 WeakPolarHBondContact CA-O 3.39Å; T22-T55 HydrophobicContact CG2-CG2 4.47Å
23I95.6Very high94.4Very high0 Ų057.1 Ų57.10%030%0.299CS..Hα-helixtrans-60.5-32.1174.6-61.3-53.9000111.5V26 K27 L43 L50 E51 R54 L56 Y59I23-V26 PolarHBondContact O-N 3.34Å; I23-K27 WeakPolarHBondContact O-CG 3.28Å; I23-K27 PolarHBondContact O-N 3.03Å; I23-L43 HydrophobicContact CG2-CD1 4.24Å; I23-L50 HydrophobicContact CD1-CB 4.15Å; I23-L50 HydrophobicContact CD1-CD1 3.63Å; I23-L50 HydrophobicContact CD1-CG 4.47Å; I23-L50 HydrophobicContact CG1-CB 4.02Å; I23-L50 HydrophobicContact CG1-CD1 4.42Å; I23-L50 HydrophobicContact CG2-CB 3.89Å; I23-E51 VanDerWaalsContact CB-O 3.29Å; I23-E51 WeakPolarHBondContact CB-O 3.36Å; I23-E51 WeakPolarHBondContact CG1-O 3.41Å; I23-R54 WeakPolarHBondContact CG1-O 3.38Å; I23-R54 PolarHBondContact N-O 3.22Å; I23-L56 HydrophobicContact CD1-CD2 3.76Å; I23-L56 HydrophobicContact CD1-CG 4.49Å; I23-Y59 HydrophobicContact CD1-CD2 4.44Å; I23-Y59 HydrophobicContact CG1-CD2 4.49Å; I23-Y59 HydrophobicContact CG1-CE2 4.21Å
24E95.2Very high94.2Very high120 Ų12059.2 Ų59.256%0.56131%0.309SS*.Hα-helixtrans-60.4-45.8172.3-170.4169.6-160.800112.4T22 V26 K27 A28 D52T22-E24 PolarHBondContact O-N 3.26Å; E24-V26 VanDerWaalsContact C-N 3.31Å; E24-V26 PolarHBondContact O-N 2.91Å; E24-K27 WeakPolarHBondContact O-CB 3.41Å; E24-K27 PolarHBondContact O-N 3.02Å; E24-A28 PolarHBondContact O-N 2.87Å; E24-D52 HydrophobicContact CB-CB 4.29Å; E24-D52 PolarHBondContact N-O 3.27Å
25N94.4Very high94Very high77 Ų7759 Ų5941%0.41232%0.319SS..Hα-helixtrans-62.7-39176.2-70-6.4000111.8D21 T22 A28 K29D21-N25 HydrophobicContact CB-CB 4.5Å; T22-N25 WeakPolarHBondContact O-CB 3.49Å; T22-N25 PolarHBondContact O-N 3.2Å; T22-N25 VanDerWaalsContact O-N 3.1Å; T22-N25 VanDerWaalsContact OG1-CG 3.26Å; T22-N25 PolarHBondContact OG1-N 2.97Å; T22-N25 PolarHBondContact OG1-OD1 3.18Å; N25-A28 PolarHBondContact O-N 3.45Å; N25-K29 WeakPolarHBondContact O-CG 3.26Å; N25-K29 PolarHBondContact O-N 3.03Å
26V94.9Very high93.7Very high0 Ų060.3 Ų60.30%033%0.326CS..Hα-helixtrans-63.9-41.3175.8178.10000111I3 L15 V17 D21 T22 I23 E24 A28 K29 I30 L43 L56I3-V26 HydrophobicContact CD1-CG1 4.39Å; L15-V26 HydrophobicContact CD1-CG1 4.2Å; V17-V26 HydrophobicContact CG1-CG2 4.18Å; D21-V26 HydrophobicContact CB-CG2 4.37Å; T22-V26 WeakPolarHBondContact O-CG2 3.41Å; T22-V26 PolarHBondContact O-N 2.94Å; T22-V26 VanDerWaalsContact O-N 3.09Å; I23-V26 PolarHBondContact O-N 3.34Å; E24-V26 VanDerWaalsContact C-N 3.31Å; E24-V26 PolarHBondContact O-N 2.91Å; V26-A28 VanDerWaalsContact C-N 3.35Å; V26-K29 PolarHBondContact O-N 2.76Å; V26-I30 HydrophobicContact CG1-CD1 4.17Å; V26-I30 WeakPolarHBondContact O-CG1 3.14Å; V26-I30 PolarHBondContact O-N 3.31Å; V26-L43 HydrophobicContact CB-CD1 4.5Å; V26-L43 HydrophobicContact CG1-CD1 3.96Å; V26-L56 HydrophobicContact CG2-CD1 3.9Å; V26-L56 HydrophobicContact CG2-CD2 4.12Å; V26-L56 HydrophobicContact CG2-CG 4.1Å
27K94.9Very high93.6Very high11 Ų1154.5 Ų54.55%0.04830%0.302CS..Hα-helixtrans-64.4-37.4175.3-71.9177.6174.8-177.10112.8I23 E24 I30 Q31 P38 Q41 L43 D52I23-K27 WeakPolarHBondContact O-CG 3.28Å; I23-K27 PolarHBondContact O-N 3.03Å; E24-K27 WeakPolarHBondContact O-CB 3.41Å; E24-K27 PolarHBondContact O-N 3.02Å; K27-I30 PolarHBondContact O-N 3.03Å; K27-Q31 PolarHBondContact O-N 3.32Å; K27-P38 HydrophobicContact CB-CB 3.94Å; K27-P38 HydrophobicContact CD-CB 4.42Å; K27-Q41 VanDerWaalsContact CA-OE1 3.26Å; K27-Q41 HydrophobicContact CD-CB 4.23Å; K27-Q41 WeakPolarHBondContact CE-O 3.25Å; K27-Q41 HydrophobicContact CG-CB 4.17Å; K27-Q41 PolarHBondContact NZ-O 3.29Å; K27-Q41 PolarHBondContact O-NE2 3.2Å; K27-Q41 PolarHBondContact O-OE1 2.83Å; K27-L43 HydrophobicContact CG-CD1 3.88Å; K27-L43 HydrophobicContact CG-CG 4.4Å; K27-D52 WeakPolarHBondContact CD-OD1 3.44Å; K27-D52 WeakPolarHBondContact CE-OD1 3.29Å; K27-D52 IonicContact NZ-OD1 2.79Å; K27-D52 PolarHBondContact NZ-OD1 2.83Å; K27-D52 IonicContact NZ-OD2 2.84Å; K27-D52 PolarHBondContact NZ-OD2 3.2Å
28A94.7Very high93.4Very high37 Ų3756.1 Ų56.131%0.30631%0.313SS..Hα-helixtrans-61.7-47.2173.300000111.2E24 N25 V26 I30 Q31 D32E24-A28 PolarHBondContact O-N 2.87Å; N25-A28 PolarHBondContact O-N 3.45Å; V26-A28 VanDerWaalsContact C-N 3.35Å; A28-I30 PolarHBondContact O-N 2.99Å; A28-Q31 WeakPolarHBondContact O-CA 3.36Å; A28-Q31 VanDerWaalsContact O-CB 3.26Å; A28-Q31 WeakPolarHBondContact O-CB 3.32Å; A28-Q31 PolarHBondContact O-N 3.3Å; A28-D32 PolarHBondContact O-N 3.41Å
29K94.8Very high93.1Very high68 Ų6854.3 Ų54.330%0.29631%0.307SS..Hα-helixtrans-59.8-32.9174.7-69.5176.3177.41790113L15 E16 V17 D21 N25 V26L15-K29 HydrophobicContact CD2-CB 4.3Å; E16-K29 PolarHBondContact O-NZ 2.97Å; V17-K29 HydrophobicContact CG1-CD 4.14Å; D21-K29 IonicContact OD2-NZ 3.97Å; D21-K29 PolarHBondContact OD2-NZ 2.9Å; N25-K29 WeakPolarHBondContact O-CG 3.26Å; N25-K29 PolarHBondContact O-N 3.03Å; V26-K29 PolarHBondContact O-N 2.76Å
30I94.1Very high93Very high0 Ų054 Ų540%030%0.3CS..Hα-helixtrans-70.7-38.8173.3-68.3166.6000111.2V5 L15 V26 K27 A28 D32 K33 E34 L43 L69V5-I30 HydrophobicContact CG1-CD1 4.19Å; V5-I30 HydrophobicContact CG2-CD1 4.12Å; L15-I30 HydrophobicContact CD1-CD1 4.1Å; L15-I30 HydrophobicContact CD1-CG1 3.52Å; V26-I30 HydrophobicContact CG1-CD1 4.17Å; V26-I30 WeakPolarHBondContact O-CG1 3.14Å; V26-I30 PolarHBondContact O-N 3.31Å; K27-I30 PolarHBondContact O-N 3.03Å; A28-I30 PolarHBondContact O-N 2.99Å; I30-D32 VanDerWaalsContact C-N 3.29Å; I30-D32 PolarHBondContact O-N 3.32Å; I30-K33 PolarHBondContact O-N 3.09Å; I30-E34 PolarHBondContact O-N 3.42Å; I30-L43 HydrophobicContact CD1-CD1 3.99Å; I30-L43 HydrophobicContact CD1-CD2 3.66Å; I30-L43 HydrophobicContact CD1-CG 4.35Å; I30-L69 HydrophobicContact CG2-CD2 3.8Å
31Q94.3Very high93Very high77 Ų7750.8 Ų50.836%0.3628%0.277SS..Hα-helixtrans-59.3-42.9175.3179.3-176.210.200110.8K27 A28 K33 G35 I36 P38K27-Q31 PolarHBondContact O-N 3.32Å; A28-Q31 WeakPolarHBondContact O-CA 3.36Å; A28-Q31 VanDerWaalsContact O-CB 3.26Å; A28-Q31 WeakPolarHBondContact O-CB 3.32Å; A28-Q31 PolarHBondContact O-N 3.3Å; Q31-K33 PolarHBondContact O-N 3.28Å; Q31-G35 WeakPolarHBondContact O-CA 3.48Å; Q31-G35 PolarHBondContact O-N 2.88Å; Q31-I36 WeakPolarHBondContact CA-O 3.44Å; Q31-I36 VanDerWaalsContact CB-O 3.25Å; Q31-I36 WeakPolarHBondContact CB-O 3.46Å; Q31-I36 WeakPolarHBondContact CG-O 3.48Å; Q31-P38 HydrophobicContact CB-CG 4.48Å
32D93.2Very high93Very high135 Ų13553.8 Ų53.872%0.72229%0.286SS*.Hα-helixtrans-62.9-29.3179.6-64.3-30.3000112.8A28 I30A28-D32 PolarHBondContact O-N 3.41Å; I30-D32 VanDerWaalsContact C-N 3.29Å; I30-D32 PolarHBondContact O-N 3.32Å
33K91.6Very high92.9Very high112 Ų11251.9 Ų51.949%0.48728%0.275SS..Hα-helixtrans-91.6-39.4-179-66.9-165.1-179.1-165.90114.6I13 T14 L15 I30 Q31I13-K33 HydrophobicContact CG2-CD 3.72Å; T14-K33 PolarHBondContact O-NZ 3.1Å; L15-K33 HydrophobicContact CD2-CD 3.76Å; I30-K33 PolarHBondContact O-N 3.09Å; Q31-K33 PolarHBondContact O-N 3.28Å
34E89.9Confident92.9Very high58 Ų5854.3 Ų54.327%0.27129%0.287SS..Hα-helixtrans-108.7-10.2-174.7-69.3-73.5133.500113.3K11 I13 I30 I36K11-E34 WeakPolarHBondContact CE-OE1 3.35Å; K11-E34 IonicContact NZ-OE1 3.53Å; K11-E34 PolarHBondContact NZ-OE1 2.97Å; K11-E34 IonicContact NZ-OE2 2.7Å; I13-E34 HydrophobicContact CD1-CG 3.32Å; I13-E34 WeakPolarHBondContact CD1-OE1 3.39Å; I13-E34 HydrophobicContact CG1-CG 4.41Å; I30-E34 PolarHBondContact O-N 3.42Å; E34-I36 HydrophobicContact CB-CD1 3.84Å; E34-I36 HydrophobicContact CB-CG1 4.01Å; E34-I36 PolarHBondContact O-N 3Å
35G90.6Very high92.9Very high60 Ų6050.8 Ų50.862%0.61927%0.27SS*.  trans73.19.5-177.500000114.5Q31Q31-G35 WeakPolarHBondContact O-CA 3.48Å; Q31-G35 PolarHBondContact O-N 2.88Å
36I89.8Confident92.9Very high32 Ų3251.4 Ų51.416%0.16429%0.286CS..  trans-87.9123.4-177.1-57.5166.5000108.7Q31 E34 Q40 Q41 L69 L71Q31-I36 WeakPolarHBondContact CA-O 3.44Å; Q31-I36 VanDerWaalsContact CB-O 3.25Å; Q31-I36 WeakPolarHBondContact CB-O 3.46Å; Q31-I36 WeakPolarHBondContact CG-O 3.48Å; E34-I36 HydrophobicContact CB-CD1 3.84Å; E34-I36 HydrophobicContact CB-CG1 4.01Å; E34-I36 PolarHBondContact O-N 3Å; I36-Q40 HydrophobicContact CG2-CB 4.2Å; I36-Q41 HydrophobicContact CB-CG 4.38Å; I36-Q41 HydrophobicContact CG2-CG 3.78Å; I36-Q41 PolarHBondContact O-NE2 3.46Å; I36-L69 HydrophobicContact CD1-CD2 4.18Å; I36-L71 HydrophobicContact CD1-CD2 4.09Å; I36-L71 HydrophobicContact CG1-CD2 4.49Å; I36-L71 HydrophobicContact CG2-CD2 3.49Å; I36-L71 VanDerWaalsContact CG2-CD2 3.49Å
37P91.8Very high92.7Very high36 Ų3654.9 Ų54.923%0.23432%0.322CS..  trans-69.4146.9-176.629.6-35.7000111.9D39 Q40 Q41P37-D39 VanDerWaalsContact C-N 3.25Å; P37-D39 VanDerWaalsContact CB-OD1 3.29Å; P37-D39 WeakPolarHBondContact CB-OD1 3.48Å; P37-D39 WeakPolarHBondContact CG-OD1 3.48Å; P37-D39 PolarHBondContact O-N 3.1Å; P37-Q40 HydrophobicContact CG-CB 4.09Å; P37-Q40 HydrophobicContact CG-CG 3.82Å; P37-Q40 WeakPolarHBondContact O-CB 3.36Å; P37-Q40 PolarHBondContact O-N 2.82Å; P37-Q41 PolarHBondContact O-N 2.76Å
38P91.6Very high92.7Very high38 Ų3861.4 Ų61.425%0.24735%0.35CS..G310 helixtrans-59.8-30.9-171.2-27.436.5000114.2K27 Q31 Q40 Q41K27-P38 HydrophobicContact CB-CB 3.94Å; K27-P38 HydrophobicContact CD-CB 4.42Å; Q31-P38 HydrophobicContact CB-CG 4.48Å; P38-Q40 PolarHBondContact O-N 3.45Å; P38-Q41 PolarHBondContact O-N 2.97Å; P38-Q41 VanDerWaalsContact O-N 3.11Å
39D88.9Confident92.6Very high83 Ų8364.1 Ų64.144%0.44436%0.357SS..G310 helixtrans-65-26.3176.972.9-44.8000112.5P37 R72 R74P37-D39 VanDerWaalsContact C-N 3.25Å; P37-D39 VanDerWaalsContact CB-OD1 3.29Å; P37-D39 WeakPolarHBondContact CB-OD1 3.48Å; P37-D39 WeakPolarHBondContact CG-OD1 3.48Å; P37-D39 PolarHBondContact O-N 3.1Å; D39-R72 WeakPolarHBondContact O-CD 3.41Å; D39-R74 IonicContact OD2-CZ 2.63Å; D39-R74 IonicContact OD2-NE 2.92Å; D39-R74 IonicContact OD2-NH2 3.3Å; D39-R74 PolarHBondContact OD2-NH2 3.46Å
40Q89.8Confident92.6Very high58 Ų5861 Ų6127%0.27134%0.343SS..G310 helixtrans-91.2-6.3177-65.5176.722.900112.9I36 P37 P38 L71 R72I36-Q40 HydrophobicContact CG2-CB 4.2Å; P37-Q40 HydrophobicContact CG-CB 4.09Å; P37-Q40 HydrophobicContact CG-CG 3.82Å; P37-Q40 WeakPolarHBondContact O-CB 3.36Å; P37-Q40 PolarHBondContact O-N 2.82Å; P38-Q40 PolarHBondContact O-N 3.45Å; Q40-L71 CarbonylContact O-C 3.51Å; Q40-L71 WeakPolarHBondContact O-CA 3.47Å; Q40-R72 PolarHBondContact O-N 3.04Å
41Q92.5Very high92.6Very high2 Ų266 Ų661%0.00937%0.366CS..EExtended strand (participates in β ladder)trans-92.8132.5-178.8-61.6-179.729.200111.8K27 I36 P37 P38 L69K27-Q41 VanDerWaalsContact CA-OE1 3.26Å; K27-Q41 HydrophobicContact CD-CB 4.23Å; K27-Q41 WeakPolarHBondContact CE-O 3.25Å; K27-Q41 HydrophobicContact CG-CB 4.17Å; K27-Q41 PolarHBondContact NZ-O 3.29Å; K27-Q41 PolarHBondContact O-NE2 3.2Å; K27-Q41 PolarHBondContact O-OE1 2.83Å; I36-Q41 HydrophobicContact CB-CG 4.38Å; I36-Q41 HydrophobicContact CG2-CG 3.78Å; I36-Q41 PolarHBondContact O-NE2 3.46Å; P37-Q41 PolarHBondContact O-N 2.76Å; P38-Q41 PolarHBondContact O-N 2.97Å; P38-Q41 VanDerWaalsContact O-N 3.11Å; Q41-L69 HydrophobicContact CB-CD1 3.75Å; Q41-L69 HydrophobicContact CG-CD1 3.95Å
42R93.8Very high92.5Very high85 Ų8565.6 Ų65.632%0.32137%0.367SS..EExtended strand (participates in β ladder)trans-119.3117.8164.5-67.7-176.9176.5-160.20.2109.1V70 R72R42-V70 WeakPolarHBondContact CA-O 3.42Å; R42-V70 HydrophobicContact CB-CB 4.35Å; R42-V70 WeakPolarHBondContact CB-O 3.43Å; R42-V70 PolarHBondContact N-O 3.05Å; R42-V70 PolarHBondContact O-N 3.32Å; R42-R72 HydrophobicContact CG-CB 4.26Å
43L94.8Very high92.4Very high0 Ų062.8 Ų62.80%037%0.37CS..EExtended strand (participates in β ladder)trans-95.8133.5173.8-65.6175.8000109.6V5 I23 V26 K27 I30 L50 L67 H68 L69V5-L43 HydrophobicContact CG1-CD2 4.33Å; I23-L43 HydrophobicContact CG2-CD1 4.24Å; V26-L43 HydrophobicContact CB-CD1 4.5Å; V26-L43 HydrophobicContact CG1-CD1 3.96Å; K27-L43 HydrophobicContact CG-CD1 3.88Å; K27-L43 HydrophobicContact CG-CG 4.4Å; I30-L43 HydrophobicContact CD1-CD1 3.99Å; I30-L43 HydrophobicContact CD1-CD2 3.66Å; I30-L43 HydrophobicContact CD1-CG 4.35Å; L43-L50 HydrophobicContact CB-CB 4.36Å; L43-L50 HydrophobicContact CB-CD1 4.15Å; L43-L50 HydrophobicContact CB-CG 4.39Å; L43-L50 PolarHBondContact O-N 3.03Å; L43-L67 HydrophobicContact CB-CD2 4.3Å; L43-H68 WeakPolarHBondContact CA-O 3.33Å; L43-L69 HydrophobicContact CD2-CB 4.2Å; L43-L69 HydrophobicContact CD2-CD1 3.83Å
44I95.4Very high92.6Very high51 Ų5162.5 Ų62.526%0.26237%0.366SS..EExtended strand (participates in β ladder)trans-126.3130.6-179.2-56.3174.5000108.4K48 H68 V70I44-K48 WeakPolarHBondContact CA-O 3.49Å; I44-H68 HydrophobicContact CB-CB 4.3Å; I44-H68 PolarHBondContact N-O 2.92Å; I44-H68 PolarHBondContact O-N 2.79Å; I44-V70 HydrophobicContact CD1-CB 4.45Å; I44-V70 HydrophobicContact CD1-CG2 3.69Å
45F95.9Very high92.9Very high47 Ų4761.1 Ų61.121%0.20636%0.361CS..EExtended strand (participates in β ladder)trans-136135174-178.1-111.5000109.3G47 K48 L50 I61 T66 L67F45-G47 PolarHBondContact O-N 3.43Å; F45-G47 VanDerWaalsContact O-N 3.11Å; F45-K48 PolarHBondContact N-O 3.34Å; F45-K48 PolarHBondContact O-N 3.49Å; F45-L50 HydrophobicContact CB-CD1 4.26Å; F45-L50 HydrophobicContact CB-CD2 4.12Å; F45-L50 HydrophobicContact CB-CG 4.45Å; F45-I61 HydrophobicContact CD1-CD1 4.3Å; F45-I61 HydrophobicContact CD1-CG1 3.79Å; F45-I61 HydrophobicContact CE1-CG1 3.85Å; F45-I61 HydrophobicContact CG-CD1 4.41Å; F45-I61 HydrophobicContact CG-CG1 4.22Å; F45-I61 HydrophobicContact CZ-CG1 4.34Å; F45-T66 WeakPolarHBondContact CD2-O 3.34Å; F45-L67 HydrophobicContact CB-CD2 4.38Å; F45-L67 HydrophobicContact CB-CG 4.49Å; F45-L67 HydrophobicContact CD2-CG 4.5Å
46A93.4Very high93.1Very high89 Ų8958.3 Ų58.374%0.73633%0.332SS*.THydrogen-bonded Turntrans48.338.5-176.400000114K48A46-K48 PolarHBondContact O-N 2.78Å
47G91.9Very high93.3Very high74 Ų7459.3 Ų59.376%0.76334%0.342SS*.THydrogen-bonded Turntrans74.40.2-178.500000115.5F45F45-G47 PolarHBondContact O-N 3.43Å; F45-G47 VanDerWaalsContact O-N 3.11Å
48K93.1Very high93.3Very high148 Ų14862.2 Ų62.264%0.64336%0.355SS*.EExtended strand (participates in β ladder)trans-104.4135.6177.9-65.1-177.6-178.2177.70110.8I44 F45 A46I44-K48 WeakPolarHBondContact CA-O 3.49Å; F45-K48 PolarHBondContact N-O 3.34Å; F45-K48 PolarHBondContact O-N 3.49Å; A46-K48 PolarHBondContact O-N 2.78Å
49Q93.7Very high93.5Very high94 Ų9462.2 Ų62.244%0.43935%0.351SS..EExtended strand (participates in β ladder)trans-72.1133.8170.4-175-177-3400109.3
50L94.6Very high93.7Very high3 Ų364.6 Ų64.62%0.01636%0.363CS..PPolyproline II helixtrans-83.5141.5178.1-54.1-172.6000111.3I23 L43 F45 Y59 I61 L67I23-L50 HydrophobicContact CD1-CB 4.15Å; I23-L50 HydrophobicContact CD1-CD1 3.63Å; I23-L50 HydrophobicContact CD1-CG 4.47Å; I23-L50 HydrophobicContact CG1-CB 4.02Å; I23-L50 HydrophobicContact CG1-CD1 4.42Å; I23-L50 HydrophobicContact CG2-CB 3.89Å; L43-L50 HydrophobicContact CB-CB 4.36Å; L43-L50 HydrophobicContact CB-CD1 4.15Å; L43-L50 HydrophobicContact CB-CG 4.39Å; L43-L50 PolarHBondContact O-N 3.03Å; F45-L50 HydrophobicContact CB-CD1 4.26Å; F45-L50 HydrophobicContact CB-CD2 4.12Å; F45-L50 HydrophobicContact CB-CG 4.45Å; L50-Y59 HydrophobicContact CB-CE2 4.18Å; L50-Y59 HydrophobicContact CD2-CD1 3.63Å; L50-Y59 HydrophobicContact CD2-CD2 3.71Å; L50-Y59 HydrophobicContact CD2-CE1 3.67Å; L50-Y59 HydrophobicContact CD2-CE2 3.71Å; L50-Y59 HydrophobicContact CD2-CG 3.64Å; L50-Y59 HydrophobicContact CG-CE2 4.46Å; L50-I61 HydrophobicContact CD1-CD1 3.92Å; L50-L67 HydrophobicContact CD1-CD2 3.32Å
51E94.1Very high93.9Very high103 Ų10362 Ų6248%0.48135%0.352SS..PPolyproline II helixtrans-97.7140.8179-66.1175.5173.800110.7I23 G53 R54 Y59I23-E51 VanDerWaalsContact CB-O 3.29Å; I23-E51 WeakPolarHBondContact CB-O 3.36Å; I23-E51 WeakPolarHBondContact CG1-O 3.41Å; E51-G53 VanDerWaalsContact C-N 3.28Å; E51-G53 PolarHBondContact O-N 3.28Å; E51-R54 PolarHBondContact O-N 2.92Å; E51-R54 IonicContact OE1-NH2 3.92Å; E51-R54 IonicContact OE2-CZ 3.68Å; E51-R54 VanDerWaalsContact OE2-CZ 3.23Å; E51-R54 IonicContact OE2-NE 3.23Å; E51-R54 PolarHBondContact OE2-NE 2.91Å; E51-R54 IonicContact OE2-NH2 2.73Å; E51-R54 PolarHBondContact OE2-NH2 2.85Å; E51-Y59 PolarHBondContact N-OH 3.18Å
52D92.3Very high94Very high70 Ų7068.8 Ų68.837%0.37438%0.383SS..THydrogen-bonded Turntrans-63.6-30.2-172.6-67-32.1000113.8E24 K27 R54E24-D52 HydrophobicContact CB-CB 4.29Å; E24-D52 PolarHBondContact N-O 3.27Å; K27-D52 WeakPolarHBondContact CD-OD1 3.44Å; K27-D52 WeakPolarHBondContact CE-OD1 3.29Å; K27-D52 IonicContact NZ-OD1 2.79Å; K27-D52 PolarHBondContact NZ-OD1 2.83Å; K27-D52 IonicContact NZ-OD2 2.84Å; K27-D52 PolarHBondContact NZ-OD2 3.2Å; D52-R54 PolarHBondContact O-N 3.17Å
53G91.9Very high94Very high75 Ų7571 Ų7177%0.77340%0.395SS*.THydrogen-bonded Turntrans-85.33.8-178.100000116.1E51E51-G53 VanDerWaalsContact C-N 3.28Å; E51-G53 PolarHBondContact O-N 3.28Å
54R94.9Very high93.9Very high107 Ų10776.6 Ų76.640%0.40442%0.421SS..SBendtrans-107.1159.8177.2-65.7-169.5-153.5-163.7-0111.1T22 I23 E51 D52 D58 Y59T22-R54 WeakPolarHBondContact CA-O 3.39Å; I23-R54 WeakPolarHBondContact CG1-O 3.38Å; I23-R54 PolarHBondContact N-O 3.22Å; E51-R54 PolarHBondContact O-N 2.92Å; E51-R54 IonicContact OE1-NH2 3.92Å; E51-R54 IonicContact OE2-CZ 3.68Å; E51-R54 VanDerWaalsContact OE2-CZ 3.23Å; E51-R54 IonicContact OE2-NE 3.23Å; E51-R54 PolarHBondContact OE2-NE 2.91Å; E51-R54 IonicContact OE2-NH2 2.73Å; E51-R54 PolarHBondContact OE2-NH2 2.85Å; D52-R54 PolarHBondContact O-N 3.17Å; R54-D58 HydrophobicContact CB-CB 4.24Å; R54-Y59 HydrophobicContact CB-CD2 4.3Å; R54-Y59 HydrophobicContact CB-CE2 3.61Å; R54-Y59 HydrophobicContact CG-CE2 4.33Å
55T95.4Very high93.9Very high29 Ų2975.1 Ų75.118%0.17842%0.415CS..BIsolated β-bridgetrans-91.5165.2177.363.70000111.9D21 T22 S57 D58 Y59D21-T55 WeakPolarHBondContact O-CA 3.47Å; T22-T55 HydrophobicContact CG2-CG2 4.47Å; T55-S57 VanDerWaalsContact C-N 3.25Å; T55-S57 PolarHBondContact O-N 3.47Å; T55-S57 PolarHBondContact OG1-OG 3.31Å; T55-D58 PolarHBondContact N-OD2 2.88Å; T55-D58 PolarHBondContact O-N 2.96Å; T55-D58 PolarHBondContact OG1-N 2.89Å; T55-D58 PolarHBondContact OG1-OD1 3.24Å; T55-D58 PolarHBondContact OG1-OD2 3.11Å; T55-Y59 WeakPolarHBondContact O-CD2 3.1Å
56L94.8Very high93.9Very high0 Ų075.8 Ų75.80%042%0.423CS..THydrogen-bonded Turntrans-60.9-36.6170.5-70.5176.8000111.9I3 V17 P19 D21 I23 V26 D58 Y59 N60 I61I3-L56 HydrophobicContact CD1-CD1 4.49Å; V17-L56 HydrophobicContact CB-CD1 3.75Å; V17-L56 HydrophobicContact CG1-CD1 4.41Å; V17-L56 HydrophobicContact CG2-CD1 3.45Å; V17-L56 VanDerWaalsContact CG2-CD1 3.45Å; P19-L56 PolarHBondContact O-N 3.08Å; D21-L56 HydrophobicContact CB-CD1 4.34Å; D21-L56 PolarHBondContact O-N 3.03Å; I23-L56 HydrophobicContact CD1-CD2 3.76Å; I23-L56 HydrophobicContact CD1-CG 4.49Å; V26-L56 HydrophobicContact CG2-CD1 3.9Å; V26-L56 HydrophobicContact CG2-CD2 4.12Å; V26-L56 HydrophobicContact CG2-CG 4.1Å; L56-D58 PolarHBondContact O-N 3.45Å; L56-Y59 PolarHBondContact O-N 3.29Å; L56-N60 PolarHBondContact O-N 3.18Å; L56-I61 HydrophobicContact CB-CB 4.28Å; L56-I61 HydrophobicContact CD2-CB 4.23Å; L56-I61 HydrophobicContact CD2-CD1 3.49Å; L56-I61 VanDerWaalsContact CD2-CD1 3.49Å; L56-I61 HydrophobicContact CD2-CG1 4.44Å; L56-I61 HydrophobicContact CD2-CG2 4.19Å; L56-I61 WeakPolarHBondContact O-CB 3.4Å; L56-I61 PolarHBondContact O-N 3.48Å
57S93.7Very high94Very high54 Ų5471.5 Ų71.538%0.37839%0.388SS..G310 helixtrans-62.6-37174.940.70000113.4P19 T55 Y59 N60P19-S57 PolarHBondContact O-N 3.36Å; P19-S57 PolarHBondContact O-OG 3.46Å; P19-S57 VanDerWaalsContact O-OG 3.1Å; T55-S57 VanDerWaalsContact C-N 3.25Å; T55-S57 PolarHBondContact O-N 3.47Å; T55-S57 PolarHBondContact OG1-OG 3.31Å; S57-Y59 PolarHBondContact O-N 2.95Å; S57-Y59 VanDerWaalsContact O-N 3.17Å; S57-N60 PolarHBondContact O-N 3.17Å
58D93.8Very high94.2Very high97 Ų9772.3 Ų72.352%0.51937%0.372SS..G310 helixtrans-62.8-25.8179.8-63-35.9000112.7R54 T55 L56R54-D58 HydrophobicContact CB-CB 4.24Å; T55-D58 PolarHBondContact N-OD2 2.88Å; T55-D58 PolarHBondContact O-N 2.96Å; T55-D58 PolarHBondContact OG1-N 2.89Å; T55-D58 PolarHBondContact OG1-OD1 3.24Å; T55-D58 PolarHBondContact OG1-OD2 3.11Å; L56-D58 PolarHBondContact O-N 3.45Å
59Y94.4Very high94.3Very high38 Ų3865.6 Ų65.615%0.14934%0.343CS..G310 helixtrans-97.78.1176.2-69.9-72.6000113.4I23 L50 E51 R54 T55 L56 S57 I61I23-Y59 HydrophobicContact CD1-CD2 4.44Å; I23-Y59 HydrophobicContact CG1-CD2 4.49Å; I23-Y59 HydrophobicContact CG1-CE2 4.21Å; L50-Y59 HydrophobicContact CB-CE2 4.18Å; L50-Y59 HydrophobicContact CD2-CD1 3.63Å; L50-Y59 HydrophobicContact CD2-CD2 3.71Å; L50-Y59 HydrophobicContact CD2-CE1 3.67Å; L50-Y59 HydrophobicContact CD2-CE2 3.71Å; L50-Y59 HydrophobicContact CD2-CG 3.64Å; L50-Y59 HydrophobicContact CG-CE2 4.46Å; E51-Y59 PolarHBondContact N-OH 3.18Å; R54-Y59 HydrophobicContact CB-CD2 4.3Å; R54-Y59 HydrophobicContact CB-CE2 3.61Å; R54-Y59 HydrophobicContact CG-CE2 4.33Å; T55-Y59 WeakPolarHBondContact O-CD2 3.1Å; L56-Y59 PolarHBondContact O-N 3.29Å; S57-Y59 PolarHBondContact O-N 2.95Å; S57-Y59 VanDerWaalsContact O-N 3.17Å; Y59-I61 PolarHBondContact O-N 3.11Å
60N93.8Very high94.2Very high132 Ų13263 Ų6371%0.70633%0.334SS*.THydrogen-bonded Turntrans52.638.4-175-65.6-46.8000112.7L56 S57 Q62L56-N60 PolarHBondContact O-N 3.18Å; S57-N60 PolarHBondContact O-N 3.17Å; N60-Q62 PolarHBondContact O-N 2.63Å
61I94.5Very high93.9Very high5 Ų566.6 Ų66.63%0.02635%0.352CS..PPolyproline II helixtrans-78.3117.4177.7-63.9168.2000108.3I3 F45 L50 L56 Y59 L67I3-I61 HydrophobicContact CG2-CG2 4.14Å; F45-I61 HydrophobicContact CD1-CD1 4.3Å; F45-I61 HydrophobicContact CD1-CG1 3.79Å; F45-I61 HydrophobicContact CE1-CG1 3.85Å; F45-I61 HydrophobicContact CG-CD1 4.41Å; F45-I61 HydrophobicContact CG-CG1 4.22Å; F45-I61 HydrophobicContact CZ-CG1 4.34Å; L50-I61 HydrophobicContact CD1-CD1 3.92Å; L56-I61 HydrophobicContact CB-CB 4.28Å; L56-I61 HydrophobicContact CD2-CB 4.23Å; L56-I61 HydrophobicContact CD2-CD1 3.49Å; L56-I61 VanDerWaalsContact CD2-CD1 3.49Å; L56-I61 HydrophobicContact CD2-CG1 4.44Å; L56-I61 HydrophobicContact CD2-CG2 4.19Å; L56-I61 WeakPolarHBondContact O-CB 3.4Å; L56-I61 PolarHBondContact O-N 3.48Å; Y59-I61 PolarHBondContact O-N 3.11Å; I61-L67 HydrophobicContact CD1-CD2 4.18Å
62Q93.3Very high93.3Very high143 Ų14367.9 Ų67.967%0.66835%0.353SS*.PPolyproline II helixtrans-101.7173.8-178.4-63.7-174.6-1000111.6N60 E64 S65N60-Q62 PolarHBondContact O-N 2.63Å; Q62-E64 PolarHBondContact O-N 3.27Å; Q62-S65 PolarHBondContact N-OG 2.96Å; Q62-S65 VanDerWaalsContact N-OG 3.08Å; Q62-S65 VanDerWaalsContact O-CB 3.23Å; Q62-S65 WeakPolarHBondContact O-CB 3.39Å; Q62-S65 PolarHBondContact O-N 3.3Å; Q62-S65 PolarHBondContact O-OG 3.21Å
63K93.8Very high92.3Very high131 Ų13172.1 Ų72.157%0.5738%0.375SS*.THydrogen-bonded Turntrans-52.2140.7169.6-176.4-179.2173.4-163.40109.7M1 S65M1-K63 HydrophobicContact CB-CB 4.29Å; K63-S65 PolarHBondContact O-N 3.31Å
64E93.4Very high91.1Very high118 Ų11877.1 Ų77.155%0.55137%0.37SS*.THydrogen-bonded Turntrans66.210.2-179.7-67.6156.5-14900115.6Q2 F4 Q62Q2-E64 PolarHBondContact O-N 3.48Å; F4-E64 HydrophobicContact CE2-CB 3.99Å; F4-E64 HydrophobicContact CE2-CG 3.97Å; Q62-E64 PolarHBondContact O-N 3.27Å
65S95.6Very high89.5Confident20 Ų2075.4 Ų75.414%0.1439%0.386CS..PPolyproline II helixtrans-64.8142.9172.6-62.40000112.1F4 Q62 K63F4-S65 PolarHBondContact N-O 2.78Å; Q62-S65 PolarHBondContact N-OG 2.96Å; Q62-S65 VanDerWaalsContact N-OG 3.08Å; Q62-S65 VanDerWaalsContact O-CB 3.23Å; Q62-S65 WeakPolarHBondContact O-CB 3.39Å; Q62-S65 PolarHBondContact O-N 3.3Å; Q62-S65 PolarHBondContact O-OG 3.21Å; K63-S65 PolarHBondContact O-N 3.31Å
66T95.6Very high88.1Confident61 Ų6177.7 Ų77.737%0.37442%0.415SS..EExtended strand (participates in β ladder)trans-104117.817763.20000111.4F4 F45F4-T66 HydrophobicContact CB-CG2 4.05Å; F4-T66 HydrophobicContact CD2-CG2 4.37Å; F4-T66 CarbonylContact O-C 3.58Å; F4-T66 WeakPolarHBondContact O-CA 3.41Å; F45-T66 WeakPolarHBondContact CD2-O 3.34Å
67L96.1Very high87Confident0 Ų082 Ų820%045%0.45CS..EExtended strand (participates in β ladder)trans-95150.7168.2-62.7101.8000111.1I3 F4 V5 K6 L43 F45 L50 I61I3-L67 HydrophobicContact CB-CD1 4.35Å; I3-L67 HydrophobicContact CD1-CD1 3.69Å; I3-L67 HydrophobicContact CG1-CD1 4.45Å; F4-L67 PolarHBondContact O-N 3.48Å; V5-L67 CarbonylContact C-O 3.6Å; V5-L67 WeakPolarHBondContact CA-O 3.29Å; V5-L67 HydrophobicContact CG2-CB 4.47Å; K6-L67 PolarHBondContact N-O 2.7Å; L43-L67 HydrophobicContact CB-CD2 4.3Å; F45-L67 HydrophobicContact CB-CD2 4.38Å; F45-L67 HydrophobicContact CB-CG 4.49Å; F45-L67 HydrophobicContact CD2-CG 4.5Å; L50-L67 HydrophobicContact CD1-CD2 3.32Å; I61-L67 HydrophobicContact CD1-CD2 4.18Å
68H96Very high85.9Confident90 Ų9089.5 Ų89.542%0.41748%0.476SS..EExtended strand (participates in β ladder)trans-103124171.9-65.7-79.1000110.3K6 L43 I44K6-H68 CarbonylContact O-C 3.54Å; K6-H68 WeakPolarHBondContact O-CA 3.31Å; L43-H68 WeakPolarHBondContact CA-O 3.33Å; I44-H68 HydrophobicContact CB-CB 4.3Å; I44-H68 PolarHBondContact N-O 2.92Å; I44-H68 PolarHBondContact O-N 2.79Å
69L94.3Very high85Confident7 Ų794.4 Ų94.44%0.03749%0.493CS..EExtended strand (participates in β ladder)trans-94.3118.4173.4177.966.1000110.1V5 K6 T7 I30 I36 Q41 L43V5-L69 HydrophobicContact CG1-CB 3.64Å; K6-L69 PolarHBondContact O-N 2.77Å; T7-L69 HydrophobicContact CG2-CD2 4.22Å; I30-L69 HydrophobicContact CG2-CD2 3.8Å; I36-L69 HydrophobicContact CD1-CD2 4.18Å; Q41-L69 HydrophobicContact CB-CD1 3.75Å; Q41-L69 HydrophobicContact CG-CD1 3.95Å; L43-L69 HydrophobicContact CD2-CB 4.2Å; L43-L69 HydrophobicContact CD2-CD1 3.83Å
70V91.7Very high84.2Confident41 Ų41104 Ų10425%0.24853%0.529CS..EExtended strand (participates in β ladder)trans-116.6138.8174.3-1760000108.8L8 R42 I44L8-V70 HydrophobicContact CD1-CG1 4.2Å; L8-V70 HydrophobicContact CD2-CG1 4.41Å; L8-V70 HydrophobicContact CD2-CG2 4.05Å; R42-V70 WeakPolarHBondContact CA-O 3.42Å; R42-V70 HydrophobicContact CB-CB 4.35Å; R42-V70 WeakPolarHBondContact CB-O 3.43Å; R42-V70 PolarHBondContact N-O 3.05Å; R42-V70 PolarHBondContact O-N 3.32Å; I44-V70 HydrophobicContact CD1-CB 4.45Å; I44-V70 HydrophobicContact CD1-CG2 3.69Å
71L88.5Confident83.7Confident78 Ų78107.3 Ų107.341%0.40854%0.537SS..EExtended strand (participates in β ladder)trans-77.7132.5175.7-69.6174.7000111I36 Q40 L73I36-L71 HydrophobicContact CD1-CD2 4.09Å; I36-L71 HydrophobicContact CG1-CD2 4.49Å; I36-L71 HydrophobicContact CG2-CD2 3.49Å; I36-L71 VanDerWaalsContact CG2-CD2 3.49Å; Q40-L71 CarbonylContact O-C 3.51Å; Q40-L71 WeakPolarHBondContact O-CA 3.47Å; L71-L73 PolarHBondContact O-N 2.84Å
72R81Confident83.3Confident130 Ų130117 Ų11749%0.49158%0.579SS.*  trans-70.899167.8-166.2171.6-170.2128.1-3107.2D39 Q40 R42 R74D39-R72 WeakPolarHBondContact O-CD 3.41Å; Q40-R72 PolarHBondContact O-N 3.04Å; R42-R72 HydrophobicContact CG-CB 4.26Å; R72-R74 PolarHBondContact O-N 2.73Å
73L71.7Confident83Confident159 Ų159117.8 Ų117.883%0.83258%0.58SS**  trans-56.9106.9175.4-60.1176.6000108.6L71 G75L71-L73 PolarHBondContact O-N 2.84Å; L73-G75 PolarHBondContact O-N 3.11Å; L73-G75 VanDerWaalsContact O-N 3.11Å
74R66.3Low82.8Confident180 Ų180116.8 Ų116.868%0.67959%0.589SS**  trans-64.3113.2166.7-86.5-176.5178.8178.41106.3D39 R72 G76D39-R74 IonicContact OD2-CZ 2.63Å; D39-R74 IonicContact OD2-NE 2.92Å; D39-R74 IonicContact OD2-NH2 3.3Å; D39-R74 PolarHBondContact OD2-NH2 3.46Å; R72-R74 PolarHBondContact O-N 2.73Å; R74-G76 PolarHBondContact O-N 2.89Å
75G62.9Low82.6Confident71 Ų71120 Ų12073%0.73260%0.598SS**  trans-47.5139.1173.900000110.7L73 A77L73-G75 PolarHBondContact O-N 3.11Å; L73-G75 VanDerWaalsContact O-N 3.11Å; G75-A77 PolarHBondContact O-N 3.4Å
76G65.9Low82.4Confident76 Ų76125.3 Ų125.378%0.78463%0.63SS**  trans-46.5133.1-169.500000113R74 K78R74-G76 PolarHBondContact O-N 2.89Å; G76-K78 PolarHBondContact O-N 2.87Å
77A70.6Confident82.2Confident91 Ų91127.4 Ų127.475%0.75264%0.643SS**  trans-42.7136-179.900000111.6G75 K79G75-A77 PolarHBondContact O-N 3.4Å; A77-K79 PolarHBondContact O-N 3.42Å
78K70Confident82Confident212 Ų212133 Ų13392%0.92268%0.679SS**  trans-48.8107.4-179.6-77.4-179179171.90109.8G76 R80G76-K78 PolarHBondContact O-N 2.87Å; K78-R80 PolarHBondContact O-N 3.23Å
79K75.6Confident81.9Confident199 Ų199137.5 Ų137.587%0.86570%0.697SS**PPolyproline II helixtrans-63.2136.8179-67.2-175.7178.91780109.1A77 K81A77-K79 PolarHBondContact O-N 3.42Å; K79-K81 PolarHBondContact O-N 3.5Å
80R77.9Confident81.9Confident239 Ų239146 Ų14690%0.90273%0.734SS**PPolyproline II helixtrans-56.2127.5173.6-75.4178.788173.89.4108.8K78K78-R80 PolarHBondContact O-N 3.23Å
81K83.4Confident81.9Confident202 Ų202152 Ų15288%0.87877%0.765SS**PPolyproline II helixtrans-60.8138.9174.4-68-176.4178-177.60109.4K79K79-K81 PolarHBondContact O-N 3.5Å
82K86.1Confident82.2Confident208 Ų208156.8 Ų156.890%0.90478%0.782SS**PPolyproline II helixtrans-62.7138.4173-71-176.6179.7178.60109.2S84K82-S84 PolarHBondContact O-N 3.46Å
83K87.3Confident82.8Confident161 Ų161158.5 Ų158.570%0.780%0.795SS**PPolyproline II helixtrans-68.7128.3172.6-66.5-179.3179.4179.70108.7Y85K83-Y85 HydrophobicContact CB-CE2 4.15Å
84S89.8Confident83.8Confident109 Ų109159.2 Ų159.276%0.76279%0.792SS**PPolyproline II helixtrans-101.6118.4169.5-174.70000108.5K82K82-S84 PolarHBondContact O-N 3.46Å
85Y88Confident85Confident186 Ų186161.6 Ų161.673%0.72980%0.801SS**  trans-94.8114.3177.5-61-78.3000108.8K83K83-Y85 HydrophobicContact CB-CE2 4.15Å
86T91.4Very high86.4Confident132 Ų132167.4 Ų167.481%0.8181%0.806SS**  trans-85.6-18.2-179.3530000113.3
87T91.9Very high87.5Confident105 Ų105173.6 Ų173.664%0.64481%0.811SS**SBendtrans-125142.8-17752.40000111.1
88P92.7Very high88.4Confident116 Ų116173.9 Ų173.975%0.75380%0.803SS**PPolyproline II helixtrans-66.3148.5177.128-34.1000110.6K90P88-K90 PolarHBondContact O-N 3.47Å
89K92.8Very high89.5Confident186 Ų186173 Ų17381%0.80980%0.799SS**PPolyproline II helixtrans-68.8122.8178.4-172.865177.1-177.30110.1
90K94.1Very high90.1Very high186 Ų186169.9 Ų169.981%0.80979%0.791SS**PPolyproline II helixtrans-70.3134.2176.2-63.1-176.3-179.6-178.20111.5P88 K92P88-K90 PolarHBondContact O-N 3.47Å; K90-K92 PolarHBondContact O-N 3.29Å
91N92.6Very high90.5Very high167 Ų167159.9 Ų159.989%0.89376%0.76SS**PPolyproline II helixtrans-67.3127170.3-75.1-29.6000110
92K94.1Very high90.6Very high178 Ų178154.3 Ų154.377%0.77474%0.743SS**PPolyproline II helixtrans-77.8138.4177.9-65.4-173.3178.3-1750110.3K90 K94K90-K92 PolarHBondContact O-N 3.29Å; K92-K94 PolarHBondContact O-N 3.48Å
93H94.2Very high90.7Very high166 Ų166149.5 Ų149.577%0.76973%0.726SS**PPolyproline II helixtrans-61.5128.7171.9175.6-97.8000110.3
94K92.8Very high90.7Very high173 Ų173149 Ų14975%0.75272%0.724SS**  trans-120.2126.7173.3-67.3-175.4177.9-177.80108.3K92 K96K92-K94 PolarHBondContact O-N 3.48Å; K94-K96 PolarHBondContact O-N 3.3Å
95R90.9Very high90.6Very high231 Ų231146.3 Ų146.387%0.87270%0.698SS**PPolyproline II helixtrans-66.2121.3176.1-70.9-176.7177.1175.7-0.6109.4
96K91.6Very high90.8Very high193 Ų193141.2 Ų141.284%0.83968%0.678SS**PPolyproline II helixtrans-100.4123171-66.1-177.2-179.7-179.40108.7K94K94-K96 PolarHBondContact O-N 3.3Å
97K89.3Confident90.8Very high206 Ų206140.5 Ų140.590%0.89666%0.663SS**PPolyproline II helixtrans-83.6122.2175.6-67.6-173.6179.7-177.90109.3
98V90.6Very high90.8Very high97 Ų97140.1 Ų140.159%0.58866%0.661SS**PPolyproline II helixtrans-88.8119171.1-179.90000107.7A101V98-A101 HydrophobicContact CB-CB 4.15Å; V98-A101 HydrophobicContact CG1-CB 4.28Å; V98-A101 WeakPolarHBondContact O-CB 3.48Å; V98-A101 PolarHBondContact O-N 3.37Å
99K92.5Very high90.8Very high192 Ų192137.9 Ų137.984%0.83564%0.642SS**THydrogen-bonded Turntrans-61.1139.6178.6-65.1-176.5-179.9-179.20109.6A101K99-A101 PolarHBondContact O-N 3.45Å; K99-A101 VanDerWaalsContact O-N 3.11Å
100L88.1Confident90.8Very high134 Ų134138.5 Ų138.570%0.70265%0.648SS**THydrogen-bonded Turntrans55.924.8177.5-57174000115.2V102 L103L100-V102 PolarHBondContact O-N 3.21Å; L100-V102 VanDerWaalsContact O-N 3.11Å; L100-L103 HydrophobicContact CB-CD1 4.17Å; L100-L103 HydrophobicContact CD1-CD1 4.38Å; L100-L103 HydrophobicContact CD2-CD1 4.02Å; L100-L103 HydrophobicContact CG-CD1 4.42Å; L100-L103 PolarHBondContact O-N 3.05Å; L100-L103 VanDerWaalsContact O-N 3.15Å
101A87.3Confident90.7Very high29 Ų29136.5 Ų136.524%0.2465%0.646CS.*G310 helixtrans-58.4-28.1-179.200000114V98 K99 K104V98-A101 HydrophobicContact CB-CB 4.15Å; V98-A101 HydrophobicContact CG1-CB 4.28Å; V98-A101 WeakPolarHBondContact O-CB 3.48Å; V98-A101 PolarHBondContact O-N 3.37Å; K99-A101 PolarHBondContact O-N 3.45Å; K99-A101 VanDerWaalsContact O-N 3.11Å; A101-K104 WeakPolarHBondContact O-CB 3.42Å; A101-K104 PolarHBondContact O-N 3.11Å
102V85.2Confident90.6Very high85 Ų85131 Ų13152%0.51563%0.63SS.*G310 helixtrans-70.4-32.1-179.3-179.80000112.3L100 K104 Y105 Y106L100-V102 PolarHBondContact O-N 3.21Å; L100-V102 VanDerWaalsContact O-N 3.11Å; V102-K104 PolarHBondContact O-N 3.11Å; V102-Y105 HydrophobicContact CG1-CD2 4.28Å; V102-Y105 WeakPolarHBondContact O-CB 3.45Å; V102-Y105 WeakPolarHBondContact O-CD2 3.44Å; V102-Y105 PolarHBondContact O-N 3.15Å; V102-Y106 HydrophobicContact CG1-CE2 4.22Å
103L87.4Confident90.6Very high108 Ų108129.5 Ų129.557%0.56562%0.623SS**G310 helixtrans-64.7-24.4179.3-67.6-178.3000112.3L100 Y105 Y106L100-L103 HydrophobicContact CB-CD1 4.17Å; L100-L103 HydrophobicContact CD1-CD1 4.38Å; L100-L103 HydrophobicContact CD2-CD1 4.02Å; L100-L103 HydrophobicContact CG-CD1 4.42Å; L100-L103 PolarHBondContact O-N 3.05Å; L100-L103 VanDerWaalsContact O-N 3.15Å; L103-Y105 PolarHBondContact O-N 2.83Å; L103-Y106 PolarHBondContact O-N 3.31Å; L103-Y106 VanDerWaalsContact O-N 3.14Å
104K86.8Confident90.3Very high151 Ų151127.1 Ų127.166%0.65762%0.615SS**G310 helixtrans-63.1-11.5174.5-60.6-173176.3-170.70113.6A101 V102A101-K104 WeakPolarHBondContact O-CB 3.42Å; A101-K104 PolarHBondContact O-N 3.11Å; V102-K104 PolarHBondContact O-N 3.11Å
105Y89.4Confident90.2Very high51 Ų51121 Ų12120%0.259%0.593CS.*G310 helixtrans-93.3-2.6-179.5-48.3-26.4000112.6V102 L103 L117 R118 F131V102-Y105 HydrophobicContact CG1-CD2 4.28Å; V102-Y105 WeakPolarHBondContact O-CB 3.45Å; V102-Y105 WeakPolarHBondContact O-CD2 3.44Å; V102-Y105 PolarHBondContact O-N 3.15Å; L103-Y105 PolarHBondContact O-N 2.83Å; Y105-L117 PolarHBondContact O-N 3.13Å; Y105-R118 HydrophobicContact CD1-CG 4.23Å; Y105-R118 HydrophobicContact CG-CG 4.4Å; Y105-R118 PolarHBondContact OH-NH1 3.4Å; Y105-R118 VanDerWaalsContact OH-NH1 3.16Å; Y105-F131 HydrophobicContact CD2-CB 4.3Å; Y105-F131 AromaticContact CD2-CD2 3.78Å; Y105-F131 HydrophobicContact CD2-CD2 3.78Å; Y105-F131 HydrophobicContact CD2-CE2 4.44Å; Y105-F131 HydrophobicContact CD2-CG 4.15Å
106Y90.4Very high90.1Very high79 Ų79116.6 Ų116.631%0.3158%0.577SS.*EExtended strand (participates in β ladder)trans-118.6142.9178.5-60.8-87000109.6V102 L103 I114 S115 R116 F131V102-Y106 HydrophobicContact CG1-CE2 4.22Å; L103-Y106 PolarHBondContact O-N 3.31Å; L103-Y106 VanDerWaalsContact O-N 3.14Å; Y106-I114 HydrophobicContact CD1-CG2 3.71Å; Y106-I114 HydrophobicContact CG-CG2 4.38Å; Y106-S115 CarbonylContact C-O 3.59Å; Y106-S115 WeakPolarHBondContact CA-O 3.42Å; Y106-R116 HydrophobicContact CD1-CG 4.04Å; Y106-R116 HydrophobicContact CE1-CG 3.9Å; Y106-F131 HydrophobicContact CE1-CZ 4Å; Y106-F131 HydrophobicContact CE2-CE2 4.04Å; Y106-F131 HydrophobicContact CE2-CZ 4.19Å; Y106-F131 AromaticContact CZ-CE2 3.75Å; Y106-F131 AromaticContact CZ-CZ 3.56Å; Y106-F131 VanDerWaalsContact OH-CE2 3.3Å; Y106-F131 WeakPolarHBondContact OH-CE2 3.4Å; Y106-F131 VanDerWaalsContact OH-CZ 3.26Å; Y106-F131 WeakPolarHBondContact OH-CZ 3.4Å
107K91.7Very high90Very high117 Ų117112.6 Ų112.651%0.50956%0.564SS.*EExtended strand (participates in β ladder)trans-120.1131.8169.2-179.4-176.9178.2-169.30107.6I114 S115 L117K107-I114 WeakPolarHBondContact O-CA 3.34Å; K107-S115 PolarHBondContact N-O 3.28Å; K107-S115 PolarHBondContact O-N 3.04Å; K107-S115 PolarHBondContact O-OG 3.42Å; K107-L117 HydrophobicContact CB-CD1 4.29Å; K107-L117 HydrophobicContact CB-CD2 4.16Å; K107-L117 HydrophobicContact CB-CG 4.24Å
108V92.5Very high90Very high98 Ų98106.4 Ų106.459%0.59454%0.535SS*.EExtended strand (participates in β ladder)trans-104.7125176.5-171.70000107.1K113 I114V108-K113 WeakPolarHBondContact CA-O 3.42Å; V108-I114 HydrophobicContact CG2-CG1 4.36Å
109D92.9Very high89.9Confident68 Ų68108 Ų10836%0.36453%0.53SS..  trans-83.1164.8175-61.1-35.9000110.4N111 G112 K113D109-N111 PolarHBondContact O-N 2.8Å; D109-N111 VanDerWaalsContact O-N 3.11Å; D109-G112 PolarHBondContact O-N 3.39Å; D109-K113 PolarHBondContact N-O 2.99Å
110E92.4Very high89.8Confident200 Ų200101.5 Ų101.594%0.93550%0.503SS*.THydrogen-bonded Turntrans-57.7-29.1-178-65.9174.5-17900113.2G112E110-G112 PolarHBondContact O-N 3.43Å
111N92.6Very high89.9Confident143 Ų14395.6 Ų95.677%0.76547%0.473SS*.THydrogen-bonded Turntrans-82.58176.5-62.9-38.6000113.6D109 K113D109-N111 PolarHBondContact O-N 2.8Å; D109-N111 VanDerWaalsContact O-N 3.11Å; N111-K113 VanDerWaalsContact C-N 3.26Å; N111-K113 PolarHBondContact O-N 3.3Å
112G90.4Very high90Very high53 Ų5397.3 Ų97.355%0.54648%0.482SS..SBendtrans75.47.5-178.600000115D109 E110D109-G112 PolarHBondContact O-N 3.39Å; E110-G112 PolarHBondContact O-N 3.43Å
113K92.9Very high90.2Very high146 Ų14694.8 Ų94.864%0.63547%0.467SS*.  trans-74.1138.4173.9-66.3-176.7-178.1177.90110V108 D109 N111V108-K113 WeakPolarHBondContact CA-O 3.42Å; D109-K113 PolarHBondContact N-O 2.99Å; N111-K113 VanDerWaalsContact C-N 3.26Å; N111-K113 PolarHBondContact O-N 3.3Å
114I89.7Confident90Very high116 Ų11697.6 Ų97.660%0.59548%0.483SS*.EExtended strand (participates in β ladder)trans-105.4123.1-178.9-58.3172.5000109.3Y106 K107 V108Y106-I114 HydrophobicContact CD1-CG2 3.71Å; Y106-I114 HydrophobicContact CG-CG2 4.38Å; K107-I114 WeakPolarHBondContact O-CA 3.34Å; V108-I114 HydrophobicContact CG2-CG1 4.36Å
115S89.4Confident90Very high43 Ų4397.5 Ų97.530%0.30149%0.485SS..EExtended strand (participates in β ladder)trans-108.7143.1171.155.20000110.9Y106 K107Y106-S115 CarbonylContact C-O 3.59Å; Y106-S115 WeakPolarHBondContact CA-O 3.42Å; K107-S115 PolarHBondContact N-O 3.28Å; K107-S115 PolarHBondContact O-N 3.04Å; K107-S115 PolarHBondContact O-OG 3.42Å
116R89.3Confident89.7Confident140 Ų14095.3 Ų95.353%0.52848%0.477SS..EExtended strand (participates in β ladder)trans-95130.1178.2-63.5170.3-175.4172.6-7.9109.3Y106 E120 F131Y106-R116 HydrophobicContact CD1-CG 4.04Å; Y106-R116 HydrophobicContact CE1-CG 3.9Å; R116-E120 IonicContact CZ-OE1 3.75Å; R116-E120 IonicContact CZ-OE2 2.84Å; R116-E120 IonicContact NE-OE1 3.72Å; R116-E120 IonicContact NH1-OE1 3.14Å; R116-E120 PolarHBondContact NH1-OE1 2.87Å; R116-E120 IonicContact NH1-OE2 3.78Å; R116-E120 PolarHBondContact NH1-OE2 3.47Å; R116-E120 IonicContact NH2-OE1 2.89Å; R116-F131 HydrophobicContact CB-CE1 4.39Å; R116-F131 HydrophobicContact CG-CE1 4.34Å
117L88.3Confident89.2Confident108 Ų10893.8 Ų93.857%0.56549%0.485SS*.SBendtrans-91.3-9-179.7-61.3177.1000113.2Y105 K107Y105-L117 PolarHBondContact O-N 3.13Å; K107-L117 HydrophobicContact CB-CD1 4.29Å; K107-L117 HydrophobicContact CB-CD2 4.16Å; K107-L117 HydrophobicContact CB-CG 4.24Å
118R89.6Confident88.8Confident76 Ų7692.7 Ų92.729%0.28750%0.498SS..SBendtrans-126.5149.6178.4-72.5-169.6174.2-179.3-1.8111.7Y105 F131Y105-R118 HydrophobicContact CD1-CG 4.23Å; Y105-R118 HydrophobicContact CG-CG 4.4Å; Y105-R118 PolarHBondContact OH-NH1 3.4Å; Y105-R118 VanDerWaalsContact OH-NH1 3.16Å; R118-F131 HydrophobicContact CB-CB 4.05Å; R118-F131 HydrophobicContact CB-CD1 3.83Å; R118-F131 HydrophobicContact CB-CG 4.21Å; R118-F131 WeakPolarHBondContact O-CD1 3.44Å
119R88.4Confident88.4Confident131 Ų13189.8 Ų89.849%0.49449%0.488SS..PPolyproline II helixtrans-70.3135.2174.7-170.6178.1-177.6176.72110.8F131 M132R119-F131 WeakPolarHBondContact O-CA 3.49Å; R119-M132 PolarHBondContact O-N 3.43Å
120E90.3Very high88.2Confident56 Ų5688.2 Ų88.226%0.26248%0.481SS..BIsolated β-bridgetrans-77.4146.4170-68.3-175.2149.700110.7R116 G129 V130 F131R116-E120 IonicContact CZ-OE1 3.75Å; R116-E120 IonicContact CZ-OE2 2.84Å; R116-E120 IonicContact NE-OE1 3.72Å; R116-E120 IonicContact NH1-OE1 3.14Å; R116-E120 PolarHBondContact NH1-OE1 2.87Å; R116-E120 IonicContact NH1-OE2 3.78Å; R116-E120 PolarHBondContact NH1-OE2 3.47Å; R116-E120 IonicContact NH2-OE1 2.89Å; E120-G129 PolarHBondContact OE1-N 2.79Å; E120-V130 WeakPolarHBondContact CA-O 3.44Å; E120-F131 HydrophobicContact CG-CD1 4.01Å; E120-F131 HydrophobicContact CG-CE1 3.76Å
121C90.9Very high88.2Confident9 Ų980 Ų806%0.06144%0.442CS..PPolyproline II helixtrans-69.7128.2176.7-172.70000109.8S123 C126 V130 M132 C141 C144C121-S123 VanDerWaalsContact C-N 3.28Å; C121-S123 PolarHBondContact O-N 3.25Å; C121-C126 HydrophobicContact CB-CB 3.72Å; C121-V130 HydrophobicContact CB-CG1 4.12Å; C121-V130 PolarHBondContact N-O 2.92Å; C121-M132 HydrophobicContact CB-CG 4.01Å; C121-C141 HydrophobicContact CB-CB 4.27Å; C121-C144 PolarHBondContact SG-SG 2.83Å
122P89.8Confident88.2Confident66 Ų6673.1 Ų73.143%0.42941%0.406SS..  trans-83.90.1-178.733.7-35.9000113.9L146 Y148P122-L146 HydrophobicContact CG-CD2 3.99Å; P122-Y148 HydrophobicContact CG-CE2 3.86Å; P122-Y148 WeakPolarHBondContact CG-OH 3.13Å
123S88.3Confident88.3Confident31 Ų3172 Ų7222%0.21739%0.391CS..  trans-70.9134.3179.7172.20000110C121 E125 C126C121-S123 VanDerWaalsContact C-N 3.28Å; C121-S123 PolarHBondContact O-N 3.25Å; S123-E125 PolarHBondContact O-N 2.78Å; S123-E125 VanDerWaalsContact O-N 3.13Å; S123-C126 CarbonylContact O-C 3.42Å; S123-C126 WeakPolarHBondContact O-CA 3.41Å; S123-C126 WeakPolarHBondContact O-CB 3.33Å; S123-C126 PolarHBondContact O-N 3.16Å; S123-C126 VanDerWaalsContact O-O 3.1Å
124D84.7Confident88.1Confident167 Ų16767.9 Ų67.989%0.89338%0.381SS*.THydrogen-bonded Turntrans-60.3-25.5-180-60.1-39.8000112.9C126D124-C126 PolarHBondContact O-N 3.14Å
125E85.1Confident88.2Confident149 Ų14966.5 Ų66.570%0.69637%0.371SS*.THydrogen-bonded Turntrans-72.1-18.7173.7-58.4-175.8169.900112.9S123 K143S123-E125 PolarHBondContact O-N 2.78Å; S123-E125 VanDerWaalsContact O-N 3.13Å; E125-K143 PolarHBondContact O-NZ 3.06Å
126C84.7Confident88.2Confident6 Ų674.1 Ų74.14%0.04140%0.4CS..SBendtrans-107.788.7180-66.40000110.1C121 S123 D124 V130 C144C121-C126 HydrophobicContact CB-CB 3.72Å; S123-C126 CarbonylContact O-C 3.42Å; S123-C126 WeakPolarHBondContact O-CA 3.41Å; S123-C126 WeakPolarHBondContact O-CB 3.33Å; S123-C126 PolarHBondContact O-N 3.16Å; S123-C126 VanDerWaalsContact O-O 3.1Å; D124-C126 PolarHBondContact O-N 3.14Å; C126-V130 HydrophobicContact CB-CB 4.1Å; C126-V130 HydrophobicContact CB-CG1 4.05Å; C126-V130 HydrophobicContact CB-CG2 4.31Å; C126-C144 VanDerWaalsContact SG-CB 3.5Å; C126-C144 PolarHBondContact SG-SG 2.82Å
127G79.9Confident88.2Confident46 Ų4671 Ų7147%0.47439%0.393SS..  trans-61.8176.4174.200000114.8V130G127-V130 WeakPolarHBondContact O-CG2 3.48Å; G127-V130 PolarHBondContact O-N 3.45Å
128A82.8Confident88.4Confident95 Ų9570.7 Ų70.779%0.78539%0.385SS*.THydrogen-bonded Turntrans-51.3140.2-179.600000112.7
129G83Confident88.5Confident37 Ų3768.1 Ų68.138%0.38138%0.376SS..THydrogen-bonded Turntrans87.1-1.4-17700000115.8E120 F131E120-G129 PolarHBondContact OE1-N 2.79Å; G129-F131 WeakPolarHBondContact O-CD2 3.26Å; G129-F131 WeakPolarHBondContact O-CE2 3.3Å; G129-F131 PolarHBondContact O-N 3.33Å
130V90.3Very high88.8Confident35 Ų3565.3 Ų65.321%0.21237%0.366CS..  trans-85.3102.8168.2-179.30000109.8E120 C121 C126 G127 K143E120-V130 WeakPolarHBondContact CA-O 3.44Å; C121-V130 HydrophobicContact CB-CG1 4.12Å; C121-V130 PolarHBondContact N-O 2.92Å; C126-V130 HydrophobicContact CB-CB 4.1Å; C126-V130 HydrophobicContact CB-CG1 4.05Å; C126-V130 HydrophobicContact CB-CG2 4.31Å; G127-V130 WeakPolarHBondContact O-CG2 3.48Å; G127-V130 PolarHBondContact O-N 3.45Å; V130-K143 HydrophobicContact CG1-CB 4.13Å; V130-K143 HydrophobicContact CG1-CD 4.48Å; V130-K143 HydrophobicContact CG2-CD 3.98Å
131F91.9Very high88.9Confident26 Ų2662.7 Ų62.711%0.11435%0.353CS..BIsolated β-bridgetrans-88.3135.6178.7-62.3-76.1000112.3Y105 Y106 R116 R118 R119 E120 G129Y105-F131 HydrophobicContact CD2-CB 4.3Å; Y105-F131 AromaticContact CD2-CD2 3.78Å; Y105-F131 HydrophobicContact CD2-CD2 3.78Å; Y105-F131 HydrophobicContact CD2-CE2 4.44Å; Y105-F131 HydrophobicContact CD2-CG 4.15Å; Y106-F131 HydrophobicContact CE1-CZ 4Å; Y106-F131 HydrophobicContact CE2-CE2 4.04Å; Y106-F131 HydrophobicContact CE2-CZ 4.19Å; Y106-F131 AromaticContact CZ-CE2 3.75Å; Y106-F131 AromaticContact CZ-CZ 3.56Å; Y106-F131 VanDerWaalsContact OH-CE2 3.3Å; Y106-F131 WeakPolarHBondContact OH-CE2 3.4Å; Y106-F131 VanDerWaalsContact OH-CZ 3.26Å; Y106-F131 WeakPolarHBondContact OH-CZ 3.4Å; R116-F131 HydrophobicContact CB-CE1 4.39Å; R116-F131 HydrophobicContact CG-CE1 4.34Å; R118-F131 HydrophobicContact CB-CB 4.05Å; R118-F131 HydrophobicContact CB-CD1 3.83Å; R118-F131 HydrophobicContact CB-CG 4.21Å; R118-F131 WeakPolarHBondContact O-CD1 3.44Å; R119-F131 WeakPolarHBondContact O-CA 3.49Å; E120-F131 HydrophobicContact CG-CD1 4.01Å; E120-F131 HydrophobicContact CG-CE1 3.76Å; G129-F131 WeakPolarHBondContact O-CD2 3.26Å; G129-F131 WeakPolarHBondContact O-CE2 3.3Å; G129-F131 PolarHBondContact O-N 3.33Å
132M92.5Very high88.9Confident0 Ų065.2 Ų65.20%038%0.381CS..PPolyproline II helixtrans-71.8138.5170.3-59.3-170.279.800110.2R119 C121 S134 H139 C141 L146 Y148R119-M132 PolarHBondContact O-N 3.43Å; C121-M132 HydrophobicContact CB-CG 4.01Å; M132-S134 PolarHBondContact O-N 2.82Å; M132-H139 HydrophobicContact CB-CB 4.16Å; M132-H139 HydrophobicContact CE-CB 3.98Å; M132-H139 WeakPolarHBondContact CE-O 3.45Å; M132-H139 HydrophobicContact SD-CB 4.21Å; M132-C141 HydrophobicContact CE-CB 4.17Å; M132-C141 HydrophobicContact CG-CB 4.34Å; M132-L146 HydrophobicContact CE-CG 4.49Å; M132-L146 WeakPolarHBondContact CE-O 3.45Å; M132-Y148 HydrophobicContact CE-CD2 3.62Å; M132-Y148 HydrophobicContact CE-CE2 4.06Å; M132-Y148 HydrophobicContact SD-CD2 3.77Å; M132-Y148 HydrophobicContact SD-CE2 3.97Å
133A91.4Very high89Confident30 Ų3068.3 Ų68.325%0.24839%0.388CS..EExtended strand (participates in β ladder)trans-74.4122.6172.400000109.8H135 H139 Y140A133-H135 PolarHBondContact O-N 2.85Å; A133-H139 CarbonylContact O-C 3.42Å; A133-H139 WeakPolarHBondContact O-CA 3.29Å; A133-Y140 WeakPolarHBondContact CB-O 3.46Å; A133-Y140 PolarHBondContact N-O 3.34Å; A133-Y140 PolarHBondContact O-N 2.85Å
134S90.7Very high89.2Confident59 Ų5968.4 Ų68.441%0.41339%0.388SS..EExtended strand (participates in β ladder)trans-81106.8173.2-47.50000109.5M132 H139M132-S134 PolarHBondContact O-N 2.82Å; S134-H139 PolarHBondContact OG-NE2 3.32Å
135H90.5Very high89.6Confident86 Ų8664 Ų6440%0.39837%0.369SS..  trans-93.4172.8165.2-65.3-87000109.4A133 D137 R138A133-H135 PolarHBondContact O-N 2.85Å; H135-D137 VanDerWaalsContact C-N 3.3Å; H135-D137 PolarHBondContact O-N 2.75Å; H135-R138 CarbonylContact C-O 3.59Å; H135-R138 WeakPolarHBondContact CA-O 3.34Å; H135-R138 HydrophobicContact CB-CG 3.76Å; H135-R138 WeakPolarHBondContact CB-O 3.47Å; H135-R138 PolarHBondContact N-O 2.9Å
136F89.9Confident89.9Confident204 Ų20459.5 Ų59.590%0.89535%0.35SS*.SBendtrans-58.7-41.3-178.4177.1-103.9000112.8
137D89.9Confident90.3Very high74 Ų7462 Ų6240%0.39637%0.365SS..SBendtrans-110.3-12.5-171.960.6-34.5000113.6H135 F150H135-D137 VanDerWaalsContact C-N 3.3Å; H135-D137 PolarHBondContact O-N 2.75Å; D137-F150 PolarHBondContact O-N 3.38Å
138R91.3Very high90.8Very high101 Ų10164 Ų6438%0.38136%0.359SS..EExtended strand (participates in β ladder)trans-152.7158.2-169.967-169.9-176.2-170-0.5114.5H135 T147 Y148H135-R138 CarbonylContact C-O 3.59Å; H135-R138 WeakPolarHBondContact CA-O 3.34Å; H135-R138 HydrophobicContact CB-CG 3.76Å; H135-R138 WeakPolarHBondContact CB-O 3.47Å; H135-R138 PolarHBondContact N-O 2.9Å; R138-T147 HydrophobicContact CB-CG2 4Å; R138-T147 HydrophobicContact CG-CG2 4.3Å; R138-Y148 CarbonylContact C-O 3.58Å; R138-Y148 WeakPolarHBondContact CA-O 3.38Å; R138-Y148 WeakPolarHBondContact CB-O 3.14Å
139H92.8Very high91Very high23 Ų2363.3 Ų63.311%0.10635%0.348CS..EExtended strand (participates in β ladder)trans-101.8128.8160.5-79.858.5000109.8M132 A133 S134 T147 Y148 F150M132-H139 HydrophobicContact CB-CB 4.16Å; M132-H139 HydrophobicContact CE-CB 3.98Å; M132-H139 WeakPolarHBondContact CE-O 3.45Å; M132-H139 HydrophobicContact SD-CB 4.21Å; A133-H139 CarbonylContact O-C 3.42Å; A133-H139 WeakPolarHBondContact O-CA 3.29Å; S134-H139 PolarHBondContact OG-NE2 3.32Å; H139-T147 CarbonylContact O-C 3.56Å; H139-T147 VanDerWaalsContact O-CA 3.29Å; H139-T147 WeakPolarHBondContact O-CA 3.47Å; H139-Y148 PolarHBondContact N-O 3.38Å; H139-Y148 PolarHBondContact O-N 3.5Å; H139-F150 AromaticContact CE1-CE2 3.16Å; H139-F150 WeakPolarHBondContact CE1-CE2 3.38Å; H139-F150 AromaticContact CE1-CZ 3.04Å; H139-F150 WeakPolarHBondContact CE1-CZ 3.16Å; H139-F150 AromaticContact CG-CZ 3.93Å; H139-F150 AromaticContact ND1-CE1 3.95Å; H139-F150 AromaticContact ND1-CE2 2.9Å; H139-F150 WeakPolarHBondContact ND1-CE2 3.33Å; H139-F150 AromaticContact ND1-CZ 2.83Å; H139-F150 WeakPolarHBondContact ND1-CZ 3.2Å
140Y93.9Very high90.9Very high72 Ų7267.3 Ų67.328%0.28236%0.355SS..EExtended strand (participates in β ladder)trans-124126-178.2174.1-108.1000111.4A133 C145 L146 T147A133-Y140 WeakPolarHBondContact CB-O 3.46Å; A133-Y140 PolarHBondContact N-O 3.34Å; A133-Y140 PolarHBondContact O-N 2.85Å; Y140-C145 HydrophobicContact CE2-CB 4.06Å; Y140-C145 PolarHBondContact OH-SG 2.91Å; Y140-L146 CarbonylContact C-O 3.59Å; Y140-L146 WeakPolarHBondContact CA-O 3.04Å; Y140-T147 WeakPolarHBondContact CD2-OG1 2.83Å
141C93.3Very high89.9Confident0 Ų071.5 Ų71.50%038%0.376CS..  trans-84.1118.2171.1-175.60000110.2C121 M132 K143 C145 L146C121-C141 HydrophobicContact CB-CB 4.27Å; M132-C141 HydrophobicContact CE-CB 4.17Å; M132-C141 HydrophobicContact CG-CB 4.34Å; C141-K143 PolarHBondContact O-N 2.87Å; C141-K143 PolarHBondContact SG-N 2.88Å; C141-C145 WeakPolarHBondContact O-CA 2.9Å; C141-C145 PolarHBondContact O-N 3.11Å; C141-L146 HydrophobicContact CB-CB 4.17Å; C141-L146 PolarHBondContact N-O 2.75Å
142G90.3Very high88.5Confident62 Ų6279.2 Ų79.264%0.63941%0.41SS*.THydrogen-bonded Turntrans-72.2-6.7176.600000115.3
143K91.3Very high87.1Confident132 Ų13284.5 Ų84.557%0.57444%0.444SS*.THydrogen-bonded Turntrans-98-58.6-179.1-170.8-176.4180-157.80112.1E125 V130 C141E125-K143 PolarHBondContact O-NZ 3.06Å; V130-K143 HydrophobicContact CG1-CB 4.13Å; V130-K143 HydrophobicContact CG1-CD 4.48Å; V130-K143 HydrophobicContact CG2-CD 3.98Å; C141-K143 PolarHBondContact O-N 2.87Å; C141-K143 PolarHBondContact SG-N 2.88Å
144C93.4Very high85.9Confident32 Ų3291.9 Ų91.922%0.21647%0.473CS..THydrogen-bonded Turntrans-98.34.6179.365.20000114C121 C126 L146C121-C144 PolarHBondContact SG-SG 2.83Å; C126-C144 VanDerWaalsContact SG-CB 3.5Å; C126-C144 PolarHBondContact SG-SG 2.82Å; C144-L146 PolarHBondContact O-N 3.31Å; C144-L146 VanDerWaalsContact SG-CB 3.54Å
145C93.1Very high84.6Confident75 Ų7597 Ų9751%0.50750%0.496SS..  trans61.99.9-178.8-59.40000115.8Y140 C141 T147Y140-C145 HydrophobicContact CE2-CB 4.06Å; Y140-C145 PolarHBondContact OH-SG 2.91Å; C141-C145 WeakPolarHBondContact O-CA 2.9Å; C141-C145 PolarHBondContact O-N 3.11Å; C145-T147 PolarHBondContact O-N 2.81Å; C145-T147 PolarHBondContact O-OG1 2.99Å
146L91.6Very high82.7Confident55 Ų55106 Ų10629%0.28853%0.534SS..  trans-60.1133.3177.2-174.169.1000111.2P122 M132 Y140 C141 C144 Y148P122-L146 HydrophobicContact CG-CD2 3.99Å; M132-L146 HydrophobicContact CE-CG 4.49Å; M132-L146 WeakPolarHBondContact CE-O 3.45Å; Y140-L146 CarbonylContact C-O 3.59Å; Y140-L146 WeakPolarHBondContact CA-O 3.04Å; C141-L146 HydrophobicContact CB-CB 4.17Å; C141-L146 PolarHBondContact N-O 2.75Å; C144-L146 PolarHBondContact O-N 3.31Å; C144-L146 VanDerWaalsContact SG-CB 3.54Å; L146-Y148 HydrophobicContact CD2-CE2 3.72Å; L146-Y148 HydrophobicContact CG-CE2 4.3Å
147T92.3Very high82.3Confident59 Ų59101.1 Ų101.136%0.36252%0.516SS..EExtended strand (participates in β ladder)trans-125.7128-178.5-52.90000110.8R138 H139 Y140 C145R138-T147 HydrophobicContact CB-CG2 4Å; R138-T147 HydrophobicContact CG-CG2 4.3Å; H139-T147 CarbonylContact O-C 3.56Å; H139-T147 VanDerWaalsContact O-CA 3.29Å; H139-T147 WeakPolarHBondContact O-CA 3.47Å; Y140-T147 WeakPolarHBondContact CD2-OG1 2.83Å; C145-T147 PolarHBondContact O-N 2.81Å; C145-T147 PolarHBondContact O-OG1 2.99Å
148Y89.9Confident81.9Confident86 Ų86102.5 Ų102.534%0.33752%0.522SS..EExtended strand (participates in β ladder)trans-112.7117.8168.3-69.1-61.9000109.3P122 M132 R138 H139 L146P122-Y148 HydrophobicContact CG-CE2 3.86Å; P122-Y148 WeakPolarHBondContact CG-OH 3.13Å; M132-Y148 HydrophobicContact CE-CD2 3.62Å; M132-Y148 HydrophobicContact CE-CE2 4.06Å; M132-Y148 HydrophobicContact SD-CD2 3.77Å; M132-Y148 HydrophobicContact SD-CE2 3.97Å; R138-Y148 CarbonylContact C-O 3.58Å; R138-Y148 WeakPolarHBondContact CA-O 3.38Å; R138-Y148 WeakPolarHBondContact CB-O 3.14Å; H139-Y148 PolarHBondContact N-O 3.38Å; H139-Y148 PolarHBondContact O-N 3.5Å; L146-Y148 HydrophobicContact CD2-CE2 3.72Å; L146-Y148 HydrophobicContact CG-CE2 4.3Å
149C88.2Confident81.4Confident82 Ų82102.6 Ų102.655%0.55453%0.53SS*.EExtended strand (participates in β ladder)trans-93.2139.3174.8-59.30000110.2
150F80.9Confident80.7Confident120 Ų120107.3 Ų107.353%0.52656%0.555SS.*SBendtrans-91.3-41.4-178.3-64.4-58.9000113.7D137 H139D137-F150 PolarHBondContact O-N 3.38Å; H139-F150 AromaticContact CE1-CE2 3.16Å; H139-F150 WeakPolarHBondContact CE1-CE2 3.38Å; H139-F150 AromaticContact CE1-CZ 3.04Å; H139-F150 WeakPolarHBondContact CE1-CZ 3.16Å; H139-F150 AromaticContact CG-CZ 3.93Å; H139-F150 AromaticContact ND1-CE1 3.95Å; H139-F150 AromaticContact ND1-CE2 2.9Å; H139-F150 WeakPolarHBondContact ND1-CE2 3.33Å; H139-F150 AromaticContact ND1-CZ 2.83Å; H139-F150 WeakPolarHBondContact ND1-CZ 3.2Å
151N68.1Low79.9Confident124 Ų124109.5 Ų109.566%0.66357%0.572SS**SBendtrans-105.2109.2175.4-66.1-13.9000106.4
152K62.6Low79Confident188 Ų188116.8 Ų116.882%0.81761%0.61SS**PPolyproline II helixtrans-64.1130.4158.2-71.8-178.4179.8178.80105.8E154K152-E154 PolarHBondContact O-N 3.19Å
153P64Low78.2Confident110 Ų110120.7 Ų120.771%0.71461%0.608SS**PPolyproline II helixtrans-55.2128163.625.1-29.9000106.3D155P153-D155 PolarHBondContact O-N 2.97Å; P153-D155 VanDerWaalsContact O-N 3.1Å
154E65.6Low77.2Confident186 Ų186119.8 Ų119.887%0.86961%0.611SS**PPolyproline II helixtrans-54.1120.1166.6-69.9177.2166.900106.3K152 K156K152-E154 PolarHBondContact O-N 3.19Å; E154-K156 PolarHBondContact O-N 3.1Å
155D63.3Low75.8Confident165 Ų165127.2 Ų127.288%0.88264%0.643SS**  trans-56.6110.7176.6-67.6-50.5000107.1P153P153-D155 PolarHBondContact O-N 2.97Å; P153-D155 VanDerWaalsContact O-N 3.1Å
156K50.6Low74.3Confident276 Ų276131.9 Ų131.9100%1.266%0.656SS**  trans-88.40171.4-85-171.6177.1-177.30110.3E154E154-K156 PolarHBondContact O-N 3.1Å

Retrieved 156 of 156 residues in 347.4 ms (Link to these results)

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