G4LWW1_SCHMA Loading...

Asparagine--tRNA ligase, cytoplasmic

AlphaFold DB , UniProt , Accession G4LWW1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 543 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
1M84.3Confident90.5Very high124 Ų12467.3 Ų67.361%0.61131%0.313SS*.  0145.40-171.3171.7-176.700109.4I3 L33 D40 T41 R42M1-I3 HydrophobicContact CE-CD1 4.5Å; M1-L33 HydrophobicContact CE-CD2 4.31Å; M1-L33 HydrophobicContact SD-CD2 3.66Å; M1-D40 PolarHBondContact N-O 2.65Å; M1-T41 CarbonylContact O-C 3.55Å; M1-T41 VanDerWaalsContact O-CA 3.27Å; M1-T41 WeakPolarHBondContact O-CA 3.37Å; M1-R42 PolarHBondContact O-N 3.29Å
2Q90.9Very high90.5Very high110 Ų11065.8 Ų65.851%0.51431%0.308SS..EExtended strand (participates in β ladder)trans-117.3131.1176.4-58.6-164.92300110.1Y4 R42Q2-Y4 HydrophobicContact CB-CE2 4.17Å; Q2-Y4 PolarHBondContact OE1-OH 2.8Å; Q2-R42 WeakPolarHBondContact CA-O 3.32Å
3I92.1Very high90.4Very high4 Ų470.8 Ų70.82%0.02135%0.347CS..EExtended strand (participates in β ladder)trans-126.6135.4174.3-67.3-176.5000108.8M1 G17 L23 A29 L33 R42 I43 W44M1-I3 HydrophobicContact CE-CD1 4.5Å; I3-G17 CarbonylContact C-O 3.44Å; I3-G17 WeakPolarHBondContact CA-O 3.27Å; I3-L23 HydrophobicContact CG2-CD1 4.09Å; I3-A29 HydrophobicContact CG2-CB 3.56Å; I3-L33 HydrophobicContact CD1-CD1 3.82Å; I3-L33 HydrophobicContact CD1-CD2 3.71Å; I3-L33 HydrophobicContact CD1-CG 3.6Å; I3-R42 PolarHBondContact N-O 3.08Å; I3-I43 CarbonylContact O-C 3.5Å; I3-I43 VanDerWaalsContact O-CA 3.27Å; I3-I43 WeakPolarHBondContact O-CA 3.19Å; I3-W44 PolarHBondContact O-N 3.29Å
4Y95.1Very high90.3Very high32 Ų3274.1 Ų74.113%0.12537%0.373CS..EExtended strand (participates in β ladder)trans-107.6136-179.5-65.7-94.5000110.6Q2 G17 E19 P22 L23 W44 W53Q2-Y4 HydrophobicContact CB-CE2 4.17Å; Q2-Y4 PolarHBondContact OE1-OH 2.8Å; Y4-G17 PolarHBondContact N-O 3.11Å; Y4-E19 HydrophobicContact CD1-CB 4.28Å; Y4-E19 HydrophobicContact CD1-CG 4.19Å; Y4-E19 HydrophobicContact CD2-CB 3.99Å; Y4-E19 HydrophobicContact CE1-CB 4.27Å; Y4-E19 HydrophobicContact CE1-CG 4.09Å; Y4-E19 HydrophobicContact CE2-CB 3.99Å; Y4-E19 HydrophobicContact CG-CB 4.14Å; Y4-E19 HydrophobicContact CG-CG 4.5Å; Y4-P22 WeakPolarHBondContact O-CA 3.24Å; Y4-P22 WeakPolarHBondContact O-CB 3.49Å; Y4-L23 PolarHBondContact O-N 2.89Å; Y4-W44 HydrophobicContact CD1-CB 3.53Å; Y4-W44 AromaticContact CD1-CD1 3.89Å; Y4-W44 AromaticContact CD1-CG 3.9Å; Y4-W44 HydrophobicContact CD1-CG 3.9Å; Y4-W44 HydrophobicContact CE1-CB 3.82Å; Y4-W44 AromaticContact CE1-CD1 3.49Å; Y4-W44 VanDerWaalsContact CE1-CD1 3.49Å; Y4-W44 HydrophobicContact CE1-CD2 4.42Å; Y4-W44 AromaticContact CE1-CG 3.67Å; Y4-W44 HydrophobicContact CE1-CG 3.67Å; Y4-W44 HydrophobicContact CG-CB 4.23Å; Y4-W44 AromaticContact CZ-CD1 3.59Å; Y4-W44 AromaticContact CZ-NE1 3.95Å; Y4-W53 AromaticContact CD1-CD2 3.52Å; Y4-W53 HydrophobicContact CD1-CD2 3.52Å; Y4-W53 AromaticContact CD1-CE2 3.39Å; Y4-W53 AromaticContact CD1-CE3 3.92Å; Y4-W53 HydrophobicContact CD1-CE3 3.92Å; Y4-W53 AromaticContact CD1-CG 3.88Å; Y4-W53 HydrophobicContact CD1-CG 3.88Å; Y4-W53 HydrophobicContact CD1-CH2 4.05Å; Y4-W53 AromaticContact CD1-CZ2 3.59Å; Y4-W53 HydrophobicContact CD1-CZ2 3.59Å; Y4-W53 HydrophobicContact CD1-CZ3 4.22Å; Y4-W53 AromaticContact CD1-NE1 3.79Å; Y4-W53 HydrophobicContact CE1-CB 4.39Å; Y4-W53 AromaticContact CE1-CD1 3.72Å; Y4-W53 AromaticContact CE1-CD2 3.95Å; Y4-W53 HydrophobicContact CE1-CD2 3.95Å; Y4-W53 AromaticContact CE1-CE2 3.85Å; Y4-W53 AromaticContact CE1-CG 3.8Å; Y4-W53 HydrophobicContact CE1-CG 3.8Å; Y4-W53 HydrophobicContact CE1-CZ2 4.42Å; Y4-W53 AromaticContact CE1-NE1 3.75Å; Y4-W53 HydrophobicContact CG-CH2 4.44Å; Y4-W53 HydrophobicContact CG-CZ2 4.16Å
5T93.5Very high90.3Very high4 Ų470.2 Ų70.23%0.02536%0.359CS..BIsolated β-bridgetrans-129130.4177.260.50000109.9L23 T25 V26 A29 I43 W44 V45 W53T5-L23 CarbonylContact C-O 3.56Å; T5-L23 WeakPolarHBondContact CA-O 3.33Å; T5-L23 HydrophobicContact CG2-CB 4.16Å; T5-T25 WeakPolarHBondContact CG2-O 3.46Å; T5-V26 HydrophobicContact CG2-CG2 4.43Å; T5-A29 HydrophobicContact CG2-CB 3.64Å; T5-I43 HydrophobicContact CG2-CG2 3.97Å; T5-W44 PolarHBondContact N-O 3.39Å; T5-W44 PolarHBondContact OG1-O 3.02Å; T5-V45 WeakPolarHBondContact O-CA 3.47Å; T5-V45 WeakPolarHBondContact OG1-CG1 3.47Å; T5-W53 WeakPolarHBondContact O-CZ3 3.2Å
6S92.1Very high90.3Very high0 Ų070.5 Ų70.50%036%0.362CS..  trans-134.3120.6178.51780000109.9K8 R9 G10 L23 D46S6-K8 PolarHBondContact O-N 2.84Å; S6-K8 PolarHBondContact OG-N 3.17Å; S6-R9 WeakPolarHBondContact OG-CG 3.24Å; S6-R9 PolarHBondContact OG-N 2.56Å; S6-R9 VanDerWaalsContact OG-N 3.08Å; S6-G10 WeakPolarHBondContact O-CA 3.38Å; S6-G10 PolarHBondContact O-N 3.26Å; S6-L23 PolarHBondContact N-O 2.9Å; S6-D46 VanDerWaalsContact CA-OD2 3.29Å; S6-D46 WeakPolarHBondContact CA-OD2 3.16Å; S6-D46 VanDerWaalsContact CB-OD1 3.23Å; S6-D46 WeakPolarHBondContact CB-OD1 3.36Å; S6-D46 PolarHBondContact OG-OD1 2.97Å; S6-D46 PolarHBondContact OG-OD2 3.06Å
7E89.4Confident90.3Very high139 Ų13966.5 Ų66.565%0.6534%0.342SS*.THydrogen-bonded Turntrans-69.7-25.3174.6-68.2-179.2-166.500110.3D46 K60E7-D46 PolarHBondContact N-OD2 2.96Å; E7-K60 IonicContact OE1-NZ 2.65Å
8K87.3Confident90.4Very high148 Ų14865.9 Ų65.964%0.64334%0.342SS*.THydrogen-bonded Turntrans-81.6-46.5-178-63.4177.6-177.3171.40113.7S6 D46S6-K8 PolarHBondContact O-N 2.84Å; S6-K8 PolarHBondContact OG-N 3.17Å; K8-D46 PolarHBondContact N-OD2 3.14Å
9R90.3Very high90.5Very high137 Ų13767.4 Ų67.452%0.51735%0.347SS..THydrogen-bonded Turntrans-123.9-3.1-172.771-172.5170.7114.6-13.1115S6 E19 P22S6-R9 WeakPolarHBondContact OG-CG 3.24Å; S6-R9 PolarHBondContact OG-N 2.56Å; S6-R9 VanDerWaalsContact OG-N 3.08Å; R9-E19 PolarHBondContact NH1-O 2.65Å; R9-E19 PolarHBondContact NH2-O 3.48Å; R9-P22 HydrophobicContact CG-CG 3.98Å
10G89.2Confident90.5Very high12 Ų1270.4 Ų70.412%0.12437%0.369CS..  trans-81.2159.8-177.800000113.8S6 P22S6-G10 WeakPolarHBondContact O-CA 3.38Å; S6-G10 PolarHBondContact O-N 3.26Å; G10-P22 WeakPolarHBondContact CA-O 3.39Å
11S91.2Very high90.5Very high30 Ų3068.5 Ų68.521%0.2136%0.364CS..  trans-137.1126.5177177.20000109.9T13 T14 G15 P22S11-T13 PolarHBondContact O-N 3.11Å; S11-T13 PolarHBondContact OG-N 2.65Å; S11-T13 PolarHBondContact OG-OG1 2.83Å; S11-T14 WeakPolarHBondContact CB-OG1 3.37Å; S11-T14 PolarHBondContact OG-N 3.17Å; S11-T14 VanDerWaalsContact OG-N 3.11Å; S11-T14 PolarHBondContact OG-OG1 2.91Å; S11-G15 WeakPolarHBondContact O-CA 3.27Å; S11-G15 PolarHBondContact O-N 3.2Å; S11-P22 PolarHBondContact N-O 2.79Å; S11-P22 VanDerWaalsContact N-O 3.09Å
12D91.2Very high91Very high49 Ų4962.8 Ų62.826%0.26234%0.336SS..THydrogen-bonded Turntrans-79.2-10.1175.3-73.2-16.7000112.6K24 T25 Q28D12-K24 HydrophobicContact CB-CB 4.38Å; D12-K24 WeakPolarHBondContact OD1-CA 3.31Å; D12-K24 WeakPolarHBondContact OD1-CB 3.23Å; D12-K24 PolarHBondContact OD1-N 3.09Å; D12-T25 PolarHBondContact OD1-N 3.13Å; D12-T25 WeakPolarHBondContact OD2-CB 3.23Å; D12-T25 WeakPolarHBondContact OD2-CG2 3.15Å; D12-T25 PolarHBondContact OD2-OG1 3.06Å; D12-Q28 HydrophobicContact CB-CB 4.18Å; D12-Q28 HydrophobicContact CB-CG 3.92Å; D12-Q28 VanDerWaalsContact CG-CB 3.48Å; D12-Q28 VanDerWaalsContact OD1-CB 3.22Å; D12-Q28 WeakPolarHBondContact OD1-CB 3.14Å
13T88.3Confident91.1Very high132 Ų13257.7 Ų57.781%0.8131%0.312SS*.THydrogen-bonded Turntrans-96.9-35.8177.154.40000112.9S11S11-T13 PolarHBondContact O-N 3.11Å; S11-T13 PolarHBondContact OG-N 2.65Å; S11-T13 PolarHBondContact OG-OG1 2.83Å
14T89.8Confident91.2Very high116 Ų11662.6 Ų62.671%0.71233%0.333SS*.THydrogen-bonded Turntrans-119.3-12.5-175570000114S11S11-T14 WeakPolarHBondContact CB-OG1 3.37Å; S11-T14 PolarHBondContact OG-N 3.17Å; S11-T14 VanDerWaalsContact OG-N 3.11Å; S11-T14 PolarHBondContact OG-OG1 2.91Å
15G89.4Confident91.1Very high16 Ų1663.7 Ų63.717%0.16534%0.343CS..  trans-73.2139176.900000111.4S11 A21 L23S11-G15 WeakPolarHBondContact O-CA 3.27Å; S11-G15 PolarHBondContact O-N 3.2Å; G15-A21 CarbonylContact C-O 3.58Å; G15-A21 WeakPolarHBondContact CA-O 3.44Å; G15-L23 WeakPolarHBondContact O-CD2 3.29Å
16D90.9Very high91Very high75 Ų7564 Ų6440%0.40135%0.345SS..  trans-102.80.1174.767.76000112.2T18 A21 K32D16-T18 VanDerWaalsContact C-N 3.28Å; D16-T18 PolarHBondContact O-N 2.75Å; D16-T18 VanDerWaalsContact OD1-CB 3.23Å; D16-T18 WeakPolarHBondContact OD1-CB 3.19Å; D16-T18 VanDerWaalsContact OD1-CG2 3.24Å; D16-T18 WeakPolarHBondContact OD1-CG2 3.35Å; D16-T18 PolarHBondContact OD1-N 2.82Å; D16-T18 PolarHBondContact OD1-OG1 3.41Å; D16-A21 PolarHBondContact N-O 3.34Å; D16-A21 WeakPolarHBondContact OD1-CB 3.34Å; D16-K32 PolarHBondContact O-NZ 3.39Å
17G90.6Very high91.1Very high3 Ų365.7 Ų65.73%0.03135%0.354CS..SBendtrans79.78.6179.500000113.8I3 Y4 A21I3-G17 CarbonylContact C-O 3.44Å; I3-G17 WeakPolarHBondContact CA-O 3.27Å; Y4-G17 PolarHBondContact N-O 3.11Å; G17-A21 PolarHBondContact N-O 3.31Å
18T92.4Very high91.2Very high56 Ų5662.2 Ų62.234%0.34434%0.338SS..SBendtrans-76.1166.6165640000110.6D16 T20 A21 P22D16-T18 VanDerWaalsContact C-N 3.28Å; D16-T18 PolarHBondContact O-N 2.75Å; D16-T18 VanDerWaalsContact OD1-CB 3.23Å; D16-T18 WeakPolarHBondContact OD1-CB 3.19Å; D16-T18 VanDerWaalsContact OD1-CG2 3.24Å; D16-T18 WeakPolarHBondContact OD1-CG2 3.35Å; D16-T18 PolarHBondContact OD1-N 2.82Å; D16-T18 PolarHBondContact OD1-OG1 3.41Å; T18-T20 PolarHBondContact O-N 2.95Å; T18-T20 PolarHBondContact OG1-OG1 3.3Å; T18-A21 CarbonylContact O-C 3.56Å; T18-A21 VanDerWaalsContact O-C 3.23Å; T18-A21 PolarHBondContact O-N 2.79Å; T18-A21 PolarHBondContact OG1-N 2.64Å; T18-P22 VanDerWaalsContact O-CA 3.29Å; T18-P22 WeakPolarHBondContact O-CA 3.39Å
19E91.5Very high91.4Very high94 Ų9455.2 Ų55.244%0.43931%0.307SS..SBendtrans-63.2-29.2178.4-167.8174.4-178.300113.3Y4 R9 W53Y4-E19 HydrophobicContact CD1-CB 4.28Å; Y4-E19 HydrophobicContact CD1-CG 4.19Å; Y4-E19 HydrophobicContact CD2-CB 3.99Å; Y4-E19 HydrophobicContact CE1-CB 4.27Å; Y4-E19 HydrophobicContact CE1-CG 4.09Å; Y4-E19 HydrophobicContact CE2-CB 3.99Å; Y4-E19 HydrophobicContact CG-CB 4.14Å; Y4-E19 HydrophobicContact CG-CG 4.5Å; R9-E19 PolarHBondContact NH1-O 2.65Å; R9-E19 PolarHBondContact NH2-O 3.48Å; E19-W53 HydrophobicContact CG-CZ2 3.81Å; E19-W53 VanDerWaalsContact CG-NE1 3.34Å; E19-W53 PolarHBondContact OE1-NE1 3.18Å
20T90.5Very high91.5Very high126 Ų12648.7 Ų48.777%0.77328%0.283SS*.SBendtrans-82.9-31.8178.648.90000112.5T18T18-T20 PolarHBondContact O-N 2.95Å; T18-T20 PolarHBondContact OG1-OG1 3.3Å
21A91.7Very high91.5Very high32 Ų3250.3 Ų50.326%0.26429%0.29SS..SBendtrans-129.167.2176.800000111.8G15 D16 G17 T18G15-A21 CarbonylContact C-O 3.58Å; G15-A21 WeakPolarHBondContact CA-O 3.44Å; D16-A21 PolarHBondContact N-O 3.34Å; D16-A21 WeakPolarHBondContact OD1-CB 3.34Å; G17-A21 PolarHBondContact N-O 3.31Å; T18-A21 CarbonylContact O-C 3.56Å; T18-A21 VanDerWaalsContact O-C 3.23Å; T18-A21 PolarHBondContact O-N 2.79Å; T18-A21 PolarHBondContact OG1-N 2.64Å
22P93.5Very high91.4Very high3 Ų354 Ų542%0.01930%0.303CS..  trans-65.8151.7-175.726.9-34.1000111.8Y4 R9 G10 S11 T18 W53Y4-P22 WeakPolarHBondContact O-CA 3.24Å; Y4-P22 WeakPolarHBondContact O-CB 3.49Å; R9-P22 HydrophobicContact CG-CG 3.98Å; G10-P22 WeakPolarHBondContact CA-O 3.39Å; S11-P22 PolarHBondContact N-O 2.79Å; S11-P22 VanDerWaalsContact N-O 3.09Å; T18-P22 VanDerWaalsContact O-CA 3.29Å; T18-P22 WeakPolarHBondContact O-CA 3.39Å; P22-W53 HydrophobicContact CB-CH2 3.96Å; P22-W53 HydrophobicContact CG-CH2 4.13Å
23L93.9Very high91.3Very high4 Ų452.6 Ų52.62%0.02130%0.295CS..BIsolated β-bridgetrans-68.3154.7168.4-68168.6000109.3I3 Y4 T5 S6 G15 Q28 A29 K32I3-L23 HydrophobicContact CG2-CD1 4.09Å; Y4-L23 PolarHBondContact O-N 2.89Å; T5-L23 CarbonylContact C-O 3.56Å; T5-L23 WeakPolarHBondContact CA-O 3.33Å; T5-L23 HydrophobicContact CG2-CB 4.16Å; S6-L23 PolarHBondContact N-O 2.9Å; G15-L23 WeakPolarHBondContact O-CD2 3.29Å; L23-Q28 HydrophobicContact CD1-CB 4.46Å; L23-Q28 HydrophobicContact CD1-CG 4.3Å; L23-Q28 HydrophobicContact CD2-CB 4.45Å; L23-Q28 HydrophobicContact CD2-CG 3.76Å; L23-Q28 HydrophobicContact CG-CG 4.47Å; L23-A29 VanDerWaalsContact CD1-CA 3.48Å; L23-A29 HydrophobicContact CD1-CB 3.98Å; L23-K32 HydrophobicContact CD1-CD 4.34Å
24K93.6Very high91.2Very high107 Ų10751.6 Ų51.647%0.46529%0.285SS..SBendtrans-77.3-35.8178.9-169.7168.2-177.8169.80111.6D12D12-K24 HydrophobicContact CB-CB 4.38Å; D12-K24 WeakPolarHBondContact OD1-CA 3.31Å; D12-K24 WeakPolarHBondContact OD1-CB 3.23Å; D12-K24 PolarHBondContact OD1-N 3.09Å
25T92.9Very high90.8Very high54 Ų5446.7 Ų46.733%0.33126%0.257SS..  trans-124.5148-174.666.80000113.2T5 D12 L27 Q28 A29T5-T25 WeakPolarHBondContact CG2-O 3.46Å; D12-T25 PolarHBondContact OD1-N 3.13Å; D12-T25 WeakPolarHBondContact OD2-CB 3.23Å; D12-T25 WeakPolarHBondContact OD2-CG2 3.15Å; D12-T25 PolarHBondContact OD2-OG1 3.06Å; T25-L27 PolarHBondContact O-N 3.02Å; T25-Q28 PolarHBondContact O-N 3.3Å; T25-Q28 PolarHBondContact OG1-N 2.67Å; T25-A29 PolarHBondContact O-N 2.85Å
26V92.4Very high90.4Very high10 Ų1053.7 Ų53.76%0.06128%0.283CS..Hα-helixtrans-60.9-29.3169.6178.40000111.3T5 A29 I30 I43 V45 V56 V64T5-V26 HydrophobicContact CG2-CG2 4.43Å; V26-A29 WeakPolarHBondContact O-CB 3.24Å; V26-A29 PolarHBondContact O-N 3.32Å; V26-I30 HydrophobicContact CG1-CD1 4.11Å; V26-I30 HydrophobicContact CG1-CG1 4.48Å; V26-I30 WeakPolarHBondContact O-CG1 3.32Å; V26-I30 PolarHBondContact O-N 2.93Å; V26-I43 HydrophobicContact CG1-CD1 4.5Å; V26-I43 HydrophobicContact CG1-CG2 4.39Å; V26-I43 HydrophobicContact CG2-CG2 4.49Å; V26-V45 HydrophobicContact CG2-CG1 3.79Å; V26-V56 HydrophobicContact CG1-CG2 4.28Å; V26-V56 HydrophobicContact CG2-CG2 4.19Å; V26-V64 HydrophobicContact CG1-CB 4.32Å; V26-V64 HydrophobicContact CG1-CG1 4.22Å; V26-V64 HydrophobicContact CG1-CG2 4.27Å
27L92.3Very high90.1Very high36 Ų3652.4 Ų52.419%0.18828%0.275CS..Hα-helixtrans-63.2-46.6176.5-176.462.9000110.8T25 A29 I30 T31 V64 Q67T25-L27 PolarHBondContact O-N 3.02Å; L27-A29 VanDerWaalsContact C-N 3.29Å; L27-A29 PolarHBondContact O-N 3.34Å; L27-I30 PolarHBondContact O-N 3.33Å; L27-I30 VanDerWaalsContact O-N 3.12Å; L27-T31 PolarHBondContact O-N 2.93Å; L27-T31 PolarHBondContact O-OG1 3.44Å; L27-V64 VanDerWaalsContact CA-CG1 3.48Å; L27-V64 HydrophobicContact CB-CG1 3.79Å; L27-V64 HydrophobicContact CD1-CG1 3.75Å; L27-V64 HydrophobicContact CG-CG1 4.39Å; L27-Q67 HydrophobicContact CD1-CB 4.33Å
28Q91.9Very high89.7Confident67 Ų6756.7 Ų56.731%0.31330%0.297SS..Hα-helixtrans-65.2-33.8177.3-166.462.710.900112.4D12 L23 T25 I30 T31 K32D12-Q28 HydrophobicContact CB-CB 4.18Å; D12-Q28 HydrophobicContact CB-CG 3.92Å; D12-Q28 VanDerWaalsContact CG-CB 3.48Å; D12-Q28 VanDerWaalsContact OD1-CB 3.22Å; D12-Q28 WeakPolarHBondContact OD1-CB 3.14Å; L23-Q28 HydrophobicContact CD1-CB 4.46Å; L23-Q28 HydrophobicContact CD1-CG 4.3Å; L23-Q28 HydrophobicContact CD2-CB 4.45Å; L23-Q28 HydrophobicContact CD2-CG 3.76Å; L23-Q28 HydrophobicContact CG-CG 4.47Å; T25-Q28 PolarHBondContact O-N 3.3Å; T25-Q28 PolarHBondContact OG1-N 2.67Å; Q28-I30 VanDerWaalsContact C-N 3.34Å; Q28-T31 PolarHBondContact O-N 2.77Å; Q28-K32 WeakPolarHBondContact O-CB 3.4Å; Q28-K32 PolarHBondContact O-N 3.13Å
29A92.1Very high89.1Confident0 Ų057.9 Ų57.90%031%0.313CS..Hα-helixtrans-61.4-41.517200000112.2I3 T5 L23 T25 V26 L27 K32 L33 I43I3-A29 HydrophobicContact CG2-CB 3.56Å; T5-A29 HydrophobicContact CG2-CB 3.64Å; L23-A29 VanDerWaalsContact CD1-CA 3.48Å; L23-A29 HydrophobicContact CD1-CB 3.98Å; T25-A29 PolarHBondContact O-N 2.85Å; V26-A29 WeakPolarHBondContact O-CB 3.24Å; V26-A29 PolarHBondContact O-N 3.32Å; L27-A29 VanDerWaalsContact C-N 3.29Å; L27-A29 PolarHBondContact O-N 3.34Å; A29-K32 PolarHBondContact O-N 3.23Å; A29-L33 WeakPolarHBondContact O-CG 3.22Å; A29-L33 PolarHBondContact O-N 2.87Å; A29-I43 HydrophobicContact CB-CD1 4.09Å; A29-I43 HydrophobicContact CB-CG1 4.48Å; A29-I43 HydrophobicContact CB-CG2 4.19Å
30I91.7Very high88.7Confident0 Ų059.6 Ų59.60%033%0.326CS..Hα-helixtrans-71.2-39.3177.2-67.3176.4000111.3V26 L27 Q28 K32 L33 D34 G35 I37 I43 V64 I65 Y68V26-I30 HydrophobicContact CG1-CD1 4.11Å; V26-I30 HydrophobicContact CG1-CG1 4.48Å; V26-I30 WeakPolarHBondContact O-CG1 3.32Å; V26-I30 PolarHBondContact O-N 2.93Å; L27-I30 PolarHBondContact O-N 3.33Å; L27-I30 VanDerWaalsContact O-N 3.12Å; Q28-I30 VanDerWaalsContact C-N 3.34Å; I30-K32 VanDerWaalsContact C-N 3.3Å; I30-K32 PolarHBondContact O-N 3.26Å; I30-L33 CarbonylContact O-C 3.59Å; I30-L33 WeakPolarHBondContact O-CA 3.42Å; I30-L33 PolarHBondContact O-N 3.47Å; I30-D34 PolarHBondContact O-N 3.5Å; I30-G35 PolarHBondContact O-N 2.92Å; I30-I37 HydrophobicContact CD1-CD1 4.23Å; I30-I37 HydrophobicContact CG1-CD1 4.01Å; I30-I43 HydrophobicContact CG1-CD1 3.91Å; I30-V64 HydrophobicContact CD1-CB 3.85Å; I30-V64 HydrophobicContact CD1-CG1 3.7Å; I30-I65 HydrophobicContact CD1-CG1 3.81Å; I30-Y68 HydrophobicContact CG2-CD1 4.24Å; I30-Y68 HydrophobicContact CG2-CD2 4.23Å; I30-Y68 HydrophobicContact CG2-CG 3.84Å
31T90.1Very high88.5Confident47 Ų4754 Ų5429%0.28829%0.291SS..Hα-helixtrans-59.6-41.6173.8-56.40000111.3L27 Q28 L33 D34 Y68L27-T31 PolarHBondContact O-N 2.93Å; L27-T31 PolarHBondContact O-OG1 3.44Å; Q28-T31 PolarHBondContact O-N 2.77Å; T31-L33 PolarHBondContact O-N 2.97Å; T31-D34 PolarHBondContact O-N 3.31Å; T31-D34 VanDerWaalsContact O-N 3.11Å; T31-Y68 HydrophobicContact CG2-CE2 4.34Å
32K88.4Confident88.5Confident107 Ų10758.4 Ų58.447%0.46530%0.301SS..Hα-helixtrans-65-21.7175.7-171.8167.3-175.8166.90113.4D16 L23 Q28 A29 I30D16-K32 PolarHBondContact O-NZ 3.39Å; L23-K32 HydrophobicContact CD1-CD 4.34Å; Q28-K32 WeakPolarHBondContact O-CB 3.4Å; Q28-K32 PolarHBondContact O-N 3.13Å; A29-K32 PolarHBondContact O-N 3.23Å; I30-K32 VanDerWaalsContact C-N 3.3Å; I30-K32 PolarHBondContact O-N 3.26Å
33L89.4Confident88.4Confident19 Ų1958.6 Ų58.610%0.09930%0.302CS..THydrogen-bonded Turntrans-96.58.5177-67.7170.8000112.9M1 I3 A29 I30 T31 G35 K36 I37 T41 I43M1-L33 HydrophobicContact CE-CD2 4.31Å; M1-L33 HydrophobicContact SD-CD2 3.66Å; I3-L33 HydrophobicContact CD1-CD1 3.82Å; I3-L33 HydrophobicContact CD1-CD2 3.71Å; I3-L33 HydrophobicContact CD1-CG 3.6Å; A29-L33 WeakPolarHBondContact O-CG 3.22Å; A29-L33 PolarHBondContact O-N 2.87Å; I30-L33 CarbonylContact O-C 3.59Å; I30-L33 WeakPolarHBondContact O-CA 3.42Å; I30-L33 PolarHBondContact O-N 3.47Å; T31-L33 PolarHBondContact O-N 2.97Å; L33-G35 PolarHBondContact O-N 2.81Å; L33-G35 VanDerWaalsContact O-N 3.13Å; L33-K36 PolarHBondContact O-N 2.94Å; L33-I37 HydrophobicContact CD1-CG1 4.3Å; L33-T41 HydrophobicContact CD1-CG2 3.75Å; L33-I43 HydrophobicContact CD1-CD1 4.3Å
34D85.9Confident88.5Confident112 Ų11261.1 Ų61.160%0.59931%0.311SS*.THydrogen-bonded Turntrans50.335.9-173.7-61.1-34.1000113.1I30 T31 K36 Y68I30-D34 PolarHBondContact O-N 3.5Å; T31-D34 PolarHBondContact O-N 3.31Å; T31-D34 VanDerWaalsContact O-N 3.11Å; D34-K36 PolarHBondContact O-N 3.21Å; D34-K36 VanDerWaalsContact O-N 3.09Å; D34-Y68 WeakPolarHBondContact CA-OH 3.4Å
35G81.5Confident88.4Confident12 Ų1257.2 Ų57.212%0.12430%0.296CS..THydrogen-bonded Turntrans70.5-1.4-176.800000115.6I30 L33I30-G35 PolarHBondContact O-N 2.92Å; L33-G35 PolarHBondContact O-N 2.81Å; L33-G35 VanDerWaalsContact O-N 3.13Å
36K82Confident88.3Confident163 Ų16356.8 Ų56.871%0.70929%0.291SS*.  trans-95.8103.9-175.6-65.6173.2-172.1168.50110.4L33 D34L33-K36 PolarHBondContact O-N 2.94Å; D34-K36 PolarHBondContact O-N 3.21Å; D34-K36 VanDerWaalsContact O-N 3.09Å
37I83.5Confident88.1Confident48 Ų4856.7 Ų56.725%0.24629%0.292CS..  trans-108104.4174.7-50.9-174.5000108I30 L33 T41 I43 L61 I65I30-I37 HydrophobicContact CD1-CD1 4.23Å; I30-I37 HydrophobicContact CG1-CD1 4.01Å; L33-I37 HydrophobicContact CD1-CG1 4.3Å; I37-T41 HydrophobicContact CG2-CG2 3.92Å; I37-I43 HydrophobicContact CD1-CD1 4.09Å; I37-L61 HydrophobicContact CD1-CD1 3.69Å; I37-L61 HydrophobicContact CD1-CD2 4.02Å; I37-L61 HydrophobicContact CD1-CG 3.99Å; I37-I65 HydrophobicContact CD1-CD1 3.93Å; I37-I65 HydrophobicContact CD1-CG1 4.17Å
38D82.7Confident87.3Confident93 Ų9361.6 Ų61.650%0.49732%0.324SS..  trans-75.9171.3173.164.526.2000111.9D40 T41D38-D40 PolarHBondContact O-N 3.34Å; D38-D40 PolarHBondContact OD1-N 2.86Å; D38-T41 PolarHBondContact O-N 2.59Å; D38-T41 VanDerWaalsContact O-N 3.17Å; D38-T41 VanDerWaalsContact OD1-CB 3.24Å; D38-T41 WeakPolarHBondContact OD1-CB 3.48Å; D38-T41 PolarHBondContact OD1-N 2.92Å; D38-T41 PolarHBondContact OD1-OG1 3.18Å
39A79.9Confident86.5Confident82 Ų8265 Ų6568%0.67834%0.34SS*.THydrogen-bonded Turntrans-61.4-26.3-17800000113.3R42A39-R42 PolarHBondContact O-NH1 2.88Å
40D83.3Confident85.1Confident130 Ų13072 Ų7270%0.69538%0.377SS*.THydrogen-bonded Turntrans-94.91.6-176.6-60.3-34000112.6M1 D38M1-D40 PolarHBondContact N-O 2.65Å; D38-D40 PolarHBondContact O-N 3.34Å; D38-D40 PolarHBondContact OD1-N 2.86Å
41T86.7Confident84Confident8 Ų875.6 Ų75.65%0.04941%0.414CS..  trans-87.9131.6176.1-64.80000110.7M1 L33 I37 D38M1-T41 CarbonylContact O-C 3.55Å; M1-T41 VanDerWaalsContact O-CA 3.27Å; M1-T41 WeakPolarHBondContact O-CA 3.37Å; L33-T41 HydrophobicContact CD1-CG2 3.75Å; I37-T41 HydrophobicContact CG2-CG2 3.92Å; D38-T41 PolarHBondContact O-N 2.59Å; D38-T41 VanDerWaalsContact O-N 3.17Å; D38-T41 VanDerWaalsContact OD1-CB 3.24Å; D38-T41 WeakPolarHBondContact OD1-CB 3.48Å; D38-T41 PolarHBondContact OD1-N 2.92Å; D38-T41 PolarHBondContact OD1-OG1 3.18Å
42R90.7Very high83.4Confident125 Ų12578.8 Ų78.847%0.47243%0.427SS..EExtended strand (participates in β ladder)trans-127.1125176.4-66.2-67.9179-90.4-3.5109.1M1 Q2 I3 A39M1-R42 PolarHBondContact O-N 3.29Å; Q2-R42 WeakPolarHBondContact CA-O 3.32Å; I3-R42 PolarHBondContact N-O 3.08Å; A39-R42 PolarHBondContact O-NH1 2.88Å
43I92.5Very high83.5Confident6 Ų675.3 Ų75.33%0.03141%0.411CS..EExtended strand (participates in β ladder)trans-103.9119.9170.1-59.7173.6000107.4I3 T5 V26 A29 I30 L33 I37 V56 L61I3-I43 CarbonylContact O-C 3.5Å; I3-I43 VanDerWaalsContact O-CA 3.27Å; I3-I43 WeakPolarHBondContact O-CA 3.19Å; T5-I43 HydrophobicContact CG2-CG2 3.97Å; V26-I43 HydrophobicContact CG1-CD1 4.5Å; V26-I43 HydrophobicContact CG1-CG2 4.39Å; V26-I43 HydrophobicContact CG2-CG2 4.49Å; A29-I43 HydrophobicContact CB-CD1 4.09Å; A29-I43 HydrophobicContact CB-CG1 4.48Å; A29-I43 HydrophobicContact CB-CG2 4.19Å; I30-I43 HydrophobicContact CG1-CD1 3.91Å; L33-I43 HydrophobicContact CD1-CD1 4.3Å; I37-I43 HydrophobicContact CD1-CD1 4.09Å; I43-V56 HydrophobicContact CB-CG1 3.82Å; I43-V56 HydrophobicContact CG2-CG1 4.28Å; I43-V56 WeakPolarHBondContact O-CG1 3.4Å; I43-V56 PolarHBondContact O-N 3.44Å; I43-L61 HydrophobicContact CD1-CD1 4.01Å
44W94.2Very high83.6Confident58 Ų5877.6 Ų77.622%0.2242%0.423CS..EExtended strand (participates in β ladder)trans-96.7140.7179.8-64103.9000110.5I3 Y4 T5 W53 D54 P55I3-W44 PolarHBondContact O-N 3.29Å; Y4-W44 HydrophobicContact CD1-CB 3.53Å; Y4-W44 AromaticContact CD1-CD1 3.89Å; Y4-W44 AromaticContact CD1-CG 3.9Å; Y4-W44 HydrophobicContact CD1-CG 3.9Å; Y4-W44 HydrophobicContact CE1-CB 3.82Å; Y4-W44 AromaticContact CE1-CD1 3.49Å; Y4-W44 VanDerWaalsContact CE1-CD1 3.49Å; Y4-W44 HydrophobicContact CE1-CD2 4.42Å; Y4-W44 AromaticContact CE1-CG 3.67Å; Y4-W44 HydrophobicContact CE1-CG 3.67Å; Y4-W44 HydrophobicContact CG-CB 4.23Å; Y4-W44 AromaticContact CZ-CD1 3.59Å; Y4-W44 AromaticContact CZ-NE1 3.95Å; T5-W44 PolarHBondContact N-O 3.39Å; T5-W44 PolarHBondContact OG1-O 3.02Å; W44-W53 HydrophobicContact CB-CB 4.11Å; W44-W53 HydrophobicContact CB-CD2 4.48Å; W44-W53 HydrophobicContact CB-CE3 4.24Å; W44-W53 HydrophobicContact CB-CG 4.48Å; W44-W53 HydrophobicContact CD2-CB 4.22Å; W44-W53 HydrophobicContact CE3-CB 3.77Å; W44-W53 HydrophobicContact CG-CB 4.39Å; W44-W53 WeakPolarHBondContact CZ3-O 3.26Å; W44-D54 CarbonylContact C-O 3.52Å; W44-D54 WeakPolarHBondContact CA-O 2.99Å; W44-P55 HydrophobicContact CZ3-CB 4.45Å
45V93.4Very high83.8Confident24 Ų2475.8 Ų75.815%0.14542%0.418CS..EExtended strand (participates in β ladder)trans-121.4160.6176.2-66.30000109.9T5 V26 G47 W53 D54 V56T5-V45 WeakPolarHBondContact O-CA 3.47Å; T5-V45 WeakPolarHBondContact OG1-CG1 3.47Å; V26-V45 HydrophobicContact CG2-CG1 3.79Å; V45-G47 PolarHBondContact O-N 3.21Å; V45-G47 VanDerWaalsContact O-N 3.13Å; V45-W53 WeakPolarHBondContact O-CA 2.97Å; V45-D54 HydrophobicContact CG2-CB 4.3Å; V45-D54 VanDerWaalsContact CG2-O 3.28Å; V45-D54 WeakPolarHBondContact CG2-O 3.35Å; V45-D54 PolarHBondContact N-O 3.36Å; V45-D54 PolarHBondContact O-N 3.42Å; V45-V56 HydrophobicContact CG1-CB 4.08Å; V45-V56 HydrophobicContact CG1-CG2 4.22Å
46D90.8Very high84.3Confident45 Ų4576.1 Ų76.124%0.24142%0.417CS..EExtended strand (participates in β ladder)trans-51.2120.3173.2-65.8-49.9000110.2S6 E7 K8S6-D46 VanDerWaalsContact CA-OD2 3.29Å; S6-D46 WeakPolarHBondContact CA-OD2 3.16Å; S6-D46 VanDerWaalsContact CB-OD1 3.23Å; S6-D46 WeakPolarHBondContact CB-OD1 3.36Å; S6-D46 PolarHBondContact OG-OD1 2.97Å; S6-D46 PolarHBondContact OG-OD2 3.06Å; E7-D46 PolarHBondContact N-OD2 2.96Å; K8-D46 PolarHBondContact N-OD2 3.14Å
47G86.3Confident84.6Confident8 Ų871.1 Ų71.18%0.08240%0.403CS..  trans-73.6167.2177.700000112.8V45 E49 M52 D54V45-G47 PolarHBondContact O-N 3.21Å; V45-G47 VanDerWaalsContact O-N 3.13Å; G47-E49 VanDerWaalsContact C-N 3.27Å; G47-E49 PolarHBondContact O-N 3.27Å; G47-M52 WeakPolarHBondContact CA-O 3.21Å; G47-M52 PolarHBondContact N-O 2.77Å; G47-D54 WeakPolarHBondContact CA-OD2 3.4Å
48V77Confident84.7Confident140 Ų14078 Ų7885%0.84843%0.431SS*.SBendtrans-65.4-33.7178.3-172.50000111.3D54V48-D54 PolarHBondContact N-OD2 3.46Å
49E74.2Confident84.7Confident138 Ų13878 Ų7865%0.64544%0.438SS*.SBendtrans-90.1133.4174-68.2-174.7179.600111.3G47 G51 M52G47-E49 VanDerWaalsContact C-N 3.27Å; G47-E49 PolarHBondContact O-N 3.27Å; E49-G51 PolarHBondContact O-N 3.23Å; E49-M52 HydrophobicContact CB-CG 4.38Å; E49-M52 HydrophobicContact CB-SD 4.24Å; E49-M52 PolarHBondContact O-N 2.89Å; E49-M52 VanDerWaalsContact O-N 3.07Å
50N62.9Low85Confident148 Ų14877.9 Ų77.979%0.79142%0.423SS*.THydrogen-bonded Turntrans-57.5122.2-177.4-91.7-16.7000111.5
51G68.7Low85.3Confident75 Ų7573.4 Ų73.477%0.77340%0.399SS*.THydrogen-bonded Turntrans92.4-8.3178.500000114.6E49E49-G51 PolarHBondContact O-N 3.23Å
52M78.6Confident85.2Confident114 Ų11481 Ų8156%0.56243%0.431SS*.  trans-90.6156.6172.1-68.1-168.299.700112.1G47 E49G47-M52 WeakPolarHBondContact CA-O 3.21Å; G47-M52 PolarHBondContact N-O 2.77Å; E49-M52 HydrophobicContact CB-CG 4.38Å; E49-M52 HydrophobicContact CB-SD 4.24Å; E49-M52 PolarHBondContact O-N 2.89Å; E49-M52 VanDerWaalsContact O-N 3.07Å
53W90.1Very high85Confident33 Ų3381.7 Ų81.713%0.12544%0.437CS..EExtended strand (participates in β ladder)trans-114.7131176.5-65.8109.6000109.8Y4 T5 E19 P22 W44 V45Y4-W53 AromaticContact CD1-CD2 3.52Å; Y4-W53 HydrophobicContact CD1-CD2 3.52Å; Y4-W53 AromaticContact CD1-CE2 3.39Å; Y4-W53 AromaticContact CD1-CE3 3.92Å; Y4-W53 HydrophobicContact CD1-CE3 3.92Å; Y4-W53 AromaticContact CD1-CG 3.88Å; Y4-W53 HydrophobicContact CD1-CG 3.88Å; Y4-W53 HydrophobicContact CD1-CH2 4.05Å; Y4-W53 AromaticContact CD1-CZ2 3.59Å; Y4-W53 HydrophobicContact CD1-CZ2 3.59Å; Y4-W53 HydrophobicContact CD1-CZ3 4.22Å; Y4-W53 AromaticContact CD1-NE1 3.79Å; Y4-W53 HydrophobicContact CE1-CB 4.39Å; Y4-W53 AromaticContact CE1-CD1 3.72Å; Y4-W53 AromaticContact CE1-CD2 3.95Å; Y4-W53 HydrophobicContact CE1-CD2 3.95Å; Y4-W53 AromaticContact CE1-CE2 3.85Å; Y4-W53 AromaticContact CE1-CG 3.8Å; Y4-W53 HydrophobicContact CE1-CG 3.8Å; Y4-W53 HydrophobicContact CE1-CZ2 4.42Å; Y4-W53 AromaticContact CE1-NE1 3.75Å; Y4-W53 HydrophobicContact CG-CH2 4.44Å; Y4-W53 HydrophobicContact CG-CZ2 4.16Å; T5-W53 WeakPolarHBondContact O-CZ3 3.2Å; E19-W53 HydrophobicContact CG-CZ2 3.81Å; E19-W53 VanDerWaalsContact CG-NE1 3.34Å; E19-W53 PolarHBondContact OE1-NE1 3.18Å; P22-W53 HydrophobicContact CB-CH2 3.96Å; P22-W53 HydrophobicContact CG-CH2 4.13Å; W44-W53 HydrophobicContact CB-CB 4.11Å; W44-W53 HydrophobicContact CB-CD2 4.48Å; W44-W53 HydrophobicContact CB-CE3 4.24Å; W44-W53 HydrophobicContact CB-CG 4.48Å; W44-W53 HydrophobicContact CD2-CB 4.22Å; W44-W53 HydrophobicContact CE3-CB 3.77Å; W44-W53 HydrophobicContact CG-CB 4.39Å; W44-W53 WeakPolarHBondContact CZ3-O 3.26Å; V45-W53 WeakPolarHBondContact O-CA 2.97Å
54D91.1Very high84.8Confident67 Ų6782 Ų8236%0.35844%0.439SS..EExtended strand (participates in β ladder)trans-107.6144.1174.2-76.1-35.4000110.6W44 V45 G47 V48 V56W44-D54 CarbonylContact C-O 3.52Å; W44-D54 WeakPolarHBondContact CA-O 2.99Å; V45-D54 HydrophobicContact CG2-CB 4.3Å; V45-D54 VanDerWaalsContact CG2-O 3.28Å; V45-D54 WeakPolarHBondContact CG2-O 3.35Å; V45-D54 PolarHBondContact N-O 3.36Å; V45-D54 PolarHBondContact O-N 3.42Å; G47-D54 WeakPolarHBondContact CA-OD2 3.4Å; V48-D54 PolarHBondContact N-OD2 3.46Å; D54-V56 PolarHBondContact O-N 2.83Å
55P90.8Very high84.5Confident74 Ų7481.3 Ų81.348%0.48144%0.439SS..EExtended strand (participates in β ladder)trans-67.1136.4173.128-32.4000109.8W44 S57W44-P55 HydrophobicContact CZ3-CB 4.45Å; P55-S57 PolarHBondContact O-N 3.46Å
56V90.9Very high84.1Confident19 Ų1987.1 Ų87.112%0.11546%0.463CS..PPolyproline II helixtrans-57.1131.9176.569.60000110.5V26 I43 V45 D54 K60 L61V26-V56 HydrophobicContact CG1-CG2 4.28Å; V26-V56 HydrophobicContact CG2-CG2 4.19Å; I43-V56 HydrophobicContact CB-CG1 3.82Å; I43-V56 HydrophobicContact CG2-CG1 4.28Å; I43-V56 WeakPolarHBondContact O-CG1 3.4Å; I43-V56 PolarHBondContact O-N 3.44Å; V45-V56 HydrophobicContact CG1-CB 4.08Å; V45-V56 HydrophobicContact CG1-CG2 4.22Å; D54-V56 PolarHBondContact O-N 2.83Å; V56-K60 HydrophobicContact CG2-CB 3.96Å; V56-K60 HydrophobicContact CG2-CD 3.98Å; V56-K60 HydrophobicContact CG2-CG 3.94Å; V56-L61 HydrophobicContact CG1-CB 4.31Å; V56-L61 HydrophobicContact CG1-CD1 3.37Å; V56-L61 HydrophobicContact CG1-CG 4.42Å
57S89.3Confident83.9Confident59 Ų5988.8 Ų88.841%0.41347%0.469SS..PPolyproline II helixtrans-62.5145.3-178.172.50000111.5P55 S59 K60 L61P55-S57 PolarHBondContact O-N 3.46Å; S57-S59 PolarHBondContact O-N 3.2Å; S57-S59 VanDerWaalsContact O-N 3.16Å; S57-S59 PolarHBondContact OG-OG 3.19Å; S57-K60 PolarHBondContact O-N 3.13Å; S57-K60 VanDerWaalsContact O-N 3.11Å; S57-K60 VanDerWaalsContact OG-CB 3.3Å; S57-K60 WeakPolarHBondContact OG-CB 3.27Å; S57-K60 PolarHBondContact OG-N 3.32Å; S57-L61 WeakPolarHBondContact O-CB 3.49Å; S57-L61 PolarHBondContact O-N 3.18Å
58K85.6Confident84Confident193 Ų19389 Ų8984%0.83947%0.467SS*.Hα-helixtrans-55.6-34.1178.7-69.8-176179.2178.20112.7K62K58-K62 WeakPolarHBondContact O-CB 3.33Å; K58-K62 PolarHBondContact O-N 2.94Å
59S82.3Confident84.5Confident92 Ų9286.3 Ų86.364%0.64345%0.446SS*.Hα-helixtrans-69.4-44.9177.157.40000112.2S57 K63S57-S59 PolarHBondContact O-N 3.2Å; S57-S59 VanDerWaalsContact O-N 3.16Å; S57-S59 PolarHBondContact OG-OG 3.19Å; S59-K63 PolarHBondContact O-N 3.45Å; S59-K63 VanDerWaalsContact O-N 3.11Å
60K86.3Confident84.8Confident80 Ų8082.7 Ų82.735%0.34843%0.43SS..Hα-helixtrans-62.7-46.1174.1-171.4169.8-178.2179.80109.9E7 V56 S57 K62 K63 V64E7-K60 IonicContact OE1-NZ 2.65Å; V56-K60 HydrophobicContact CG2-CB 3.96Å; V56-K60 HydrophobicContact CG2-CD 3.98Å; V56-K60 HydrophobicContact CG2-CG 3.94Å; S57-K60 PolarHBondContact O-N 3.13Å; S57-K60 VanDerWaalsContact O-N 3.11Å; S57-K60 VanDerWaalsContact OG-CB 3.3Å; S57-K60 WeakPolarHBondContact OG-CB 3.27Å; S57-K60 PolarHBondContact OG-N 3.32Å; K60-K62 PolarHBondContact O-N 2.82Å; K60-K63 PolarHBondContact O-N 2.89Å; K60-V64 HydrophobicContact CG-CG2 4.44Å; K60-V64 VanDerWaalsContact O-CG2 3.31Å; K60-V64 WeakPolarHBondContact O-CG2 3.46Å; K60-V64 PolarHBondContact O-N 2.86Å
61L88.3Confident85.8Confident36 Ų3680.5 Ų80.519%0.18842%0.415CS..Hα-helixtrans-56.3-51.2177.3-161.485000112.1I37 I43 V56 S57 K63 V64 I65I37-L61 HydrophobicContact CD1-CD1 3.69Å; I37-L61 HydrophobicContact CD1-CD2 4.02Å; I37-L61 HydrophobicContact CD1-CG 3.99Å; I43-L61 HydrophobicContact CD1-CD1 4.01Å; V56-L61 HydrophobicContact CG1-CB 4.31Å; V56-L61 HydrophobicContact CG1-CD1 3.37Å; V56-L61 HydrophobicContact CG1-CG 4.42Å; S57-L61 WeakPolarHBondContact O-CB 3.49Å; S57-L61 PolarHBondContact O-N 3.18Å; L61-K63 VanDerWaalsContact C-N 3.3Å; L61-K63 PolarHBondContact O-N 2.87Å; L61-V64 PolarHBondContact O-N 2.82Å; L61-I65 HydrophobicContact CD2-CD1 4.21Å; L61-I65 HydrophobicContact CG-CD1 4.07Å; L61-I65 VanDerWaalsContact O-CG1 3.32Å; L61-I65 WeakPolarHBondContact O-CG1 3.37Å; L61-I65 PolarHBondContact O-N 3.03Å
62K85.4Confident86.4Confident168 Ų16881.3 Ų81.373%0.7340%0.399SS*.Hα-helixtrans-59.8-38.9178.9-171.7177.4-178.11790112.4K58 K60 K66K58-K62 WeakPolarHBondContact O-CB 3.33Å; K58-K62 PolarHBondContact O-N 2.94Å; K60-K62 PolarHBondContact O-N 2.82Å; K62-K66 PolarHBondContact O-N 3.22Å
63K85.7Confident86.4Confident138 Ų13884.9 Ų84.960%0.641%0.406SS*.Hα-helixtrans-65.3-44.7177.1-171.5180177.8-177.20111.4S59 K60 L61 K66 Q67S59-K63 PolarHBondContact O-N 3.45Å; S59-K63 VanDerWaalsContact O-N 3.11Å; K60-K63 PolarHBondContact O-N 2.89Å; L61-K63 VanDerWaalsContact C-N 3.3Å; L61-K63 PolarHBondContact O-N 2.87Å; K63-K66 WeakPolarHBondContact O-CB 3.14Å; K63-K66 PolarHBondContact O-N 3.25Å; K63-Q67 PolarHBondContact O-N 3.12Å; K63-Q67 VanDerWaalsContact O-N 3.12Å
64V88.6Confident85.7Confident13 Ų1388.6 Ų88.68%0.07942%0.423CS..Hα-helixtrans-75-35.7-176.9-172.70000112V26 L27 I30 K60 L61 K66 Q67 Y68V26-V64 HydrophobicContact CG1-CB 4.32Å; V26-V64 HydrophobicContact CG1-CG1 4.22Å; V26-V64 HydrophobicContact CG1-CG2 4.27Å; L27-V64 VanDerWaalsContact CA-CG1 3.48Å; L27-V64 HydrophobicContact CB-CG1 3.79Å; L27-V64 HydrophobicContact CD1-CG1 3.75Å; L27-V64 HydrophobicContact CG-CG1 4.39Å; I30-V64 HydrophobicContact CD1-CB 3.85Å; I30-V64 HydrophobicContact CD1-CG1 3.7Å; K60-V64 HydrophobicContact CG-CG2 4.44Å; K60-V64 VanDerWaalsContact O-CG2 3.31Å; K60-V64 WeakPolarHBondContact O-CG2 3.46Å; K60-V64 PolarHBondContact O-N 2.86Å; L61-V64 PolarHBondContact O-N 2.82Å; V64-K66 VanDerWaalsContact C-N 3.28Å; V64-K66 PolarHBondContact O-N 3.2Å; V64-Q67 WeakPolarHBondContact O-CA 3.39Å; V64-Q67 WeakPolarHBondContact O-CB 3.42Å; V64-Q67 PolarHBondContact O-N 3.01Å; V64-Y68 PolarHBondContact O-N 3.31Å
65I88Confident84.9Confident43 Ų4392 Ų9222%0.22144%0.437CS..Hα-helixtrans-58.2-42.5170.7-67.9169.8000110.7I30 I37 L61 Q67 Y68 H69I30-I65 HydrophobicContact CD1-CG1 3.81Å; I37-I65 HydrophobicContact CD1-CD1 3.93Å; I37-I65 HydrophobicContact CD1-CG1 4.17Å; L61-I65 HydrophobicContact CD2-CD1 4.21Å; L61-I65 HydrophobicContact CG-CD1 4.07Å; L61-I65 VanDerWaalsContact O-CG1 3.32Å; L61-I65 WeakPolarHBondContact O-CG1 3.37Å; L61-I65 PolarHBondContact O-N 3.03Å; I65-Q67 VanDerWaalsContact C-N 3.31Å; I65-Q67 PolarHBondContact O-N 3.4Å; I65-Y68 PolarHBondContact O-N 3.32Å; I65-H69 PolarHBondContact O-CD2 2.96Å; I65-H69 VanDerWaalsContact O-CD2 3.29Å; I65-H69 PolarHBondContact O-N 2.83Å; I65-H69 VanDerWaalsContact O-N 3.08Å
66K86Confident83.8Confident147 Ų14792.5 Ų92.564%0.63944%0.435SS*.Hα-helixtrans-61.8-40.5175.1-169.1-177.7179.3-174.20111.3K62 K63 V64 I70K62-K66 PolarHBondContact O-N 3.22Å; K63-K66 WeakPolarHBondContact O-CB 3.14Å; K63-K66 PolarHBondContact O-N 3.25Å; V64-K66 VanDerWaalsContact C-N 3.28Å; V64-K66 PolarHBondContact O-N 3.2Å; K66-I70 HydrophobicContact CG-CD1 4.23Å; K66-I70 WeakPolarHBondContact O-CD1 3.22Å; K66-I70 VanDerWaalsContact O-CG1 3.26Å; K66-I70 WeakPolarHBondContact O-CG1 3.19Å; K66-I70 PolarHBondContact O-N 2.73Å; K66-I70 VanDerWaalsContact O-N 3.14Å
67Q86.5Confident82.3Confident80 Ų8098.2 Ų98.237%0.37446%0.458SS..Hα-helixtrans-63.6-43.3175.2-72.2175.3-32.700112.2L27 K63 V64 I65 I70 Q71L27-Q67 HydrophobicContact CD1-CB 4.33Å; K63-Q67 PolarHBondContact O-N 3.12Å; K63-Q67 VanDerWaalsContact O-N 3.12Å; V64-Q67 WeakPolarHBondContact O-CA 3.39Å; V64-Q67 WeakPolarHBondContact O-CB 3.42Å; V64-Q67 PolarHBondContact O-N 3.01Å; I65-Q67 VanDerWaalsContact C-N 3.31Å; I65-Q67 PolarHBondContact O-N 3.4Å; Q67-I70 PolarHBondContact O-N 2.94Å; Q67-Q71 PolarHBondContact O-N 2.9Å
68Y88.7Confident80.7Confident11 Ų11100 Ų1004%0.04347%0.467CS..Hα-helixtrans-57-50.9175.6170.9-98.9000111.7I30 T31 D34 V64 I65 I70 Q71 E72I30-Y68 HydrophobicContact CG2-CD1 4.24Å; I30-Y68 HydrophobicContact CG2-CD2 4.23Å; I30-Y68 HydrophobicContact CG2-CG 3.84Å; T31-Y68 HydrophobicContact CG2-CE2 4.34Å; D34-Y68 WeakPolarHBondContact CA-OH 3.4Å; V64-Y68 PolarHBondContact O-N 3.31Å; I65-Y68 PolarHBondContact O-N 3.32Å; Y68-I70 VanDerWaalsContact C-N 3.27Å; Y68-I70 PolarHBondContact O-N 2.86Å; Y68-Q71 PolarHBondContact O-N 3.09Å; Y68-E72 HydrophobicContact CD1-CG 4.46Å; Y68-E72 HydrophobicContact CE1-CG 3.9Å; Y68-E72 HydrophobicContact CE2-CG 4Å; Y68-E72 PolarHBondContact O-N 2.79Å; Y68-E72 VanDerWaalsContact OH-CD 3.26Å; Y68-E72 PolarHBondContact OH-OE1 2.79Å
69H86.5Confident79Confident84 Ų8493.6 Ų93.639%0.38945%0.446SS..Hα-helixtrans-65.3-28.2178.5-69.5-51.8000113.8I65 R73I65-H69 PolarHBondContact O-CD2 2.96Å; I65-H69 VanDerWaalsContact O-CD2 3.29Å; I65-H69 PolarHBondContact O-N 2.83Å; I65-H69 VanDerWaalsContact O-N 3.08Å; H69-R73 WeakPolarHBondContact O-CB 3.12Å; H69-R73 VanDerWaalsContact O-CG 3.24Å; H69-R73 WeakPolarHBondContact O-CG 3.29Å; H69-R73 PolarHBondContact O-N 3.38Å
70I80.9Confident77.3Confident63 Ų6397.3 Ų97.332%0.32345%0.451SS..Hα-helixtrans-68.7-43.3171.9-69.7164.6000110.1K66 Q67 Y68 R73 K74K66-I70 HydrophobicContact CG-CD1 4.23Å; K66-I70 WeakPolarHBondContact O-CD1 3.22Å; K66-I70 VanDerWaalsContact O-CG1 3.26Å; K66-I70 WeakPolarHBondContact O-CG1 3.19Å; K66-I70 PolarHBondContact O-N 2.73Å; K66-I70 VanDerWaalsContact O-N 3.14Å; Q67-I70 PolarHBondContact O-N 2.94Å; Y68-I70 VanDerWaalsContact C-N 3.27Å; Y68-I70 PolarHBondContact O-N 2.86Å; I70-R73 PolarHBondContact O-N 2.84Å; I70-K74 WeakPolarHBondContact O-CG 3.36Å; I70-K74 PolarHBondContact O-N 3.3Å
71Q84Confident75.1Confident102 Ų10299.6 Ų99.648%0.47746%0.463SS..Hα-helixtrans-65-41.9176.4-74.3-175-12.100112.1Q67 Y68 K74 H75Q67-Q71 PolarHBondContact O-N 2.9Å; Y68-Q71 PolarHBondContact O-N 3.09Å; Q71-K74 CarbonylContact O-C 3.59Å; Q71-K74 WeakPolarHBondContact O-CB 3.38Å; Q71-K74 PolarHBondContact O-N 3.18Å; Q71-H75 PolarHBondContact O-N 3.48Å
72E81.9Confident72.4Confident92 Ų92106 Ų10643%0.4349%0.489SS..Hα-helixtrans-61-45.4173.3-79.1-140.7115.800111.8Y68 K74 H75 D76Y68-E72 HydrophobicContact CD1-CG 4.46Å; Y68-E72 HydrophobicContact CE1-CG 3.9Å; Y68-E72 HydrophobicContact CE2-CG 4Å; Y68-E72 PolarHBondContact O-N 2.79Å; Y68-E72 VanDerWaalsContact OH-CD 3.26Å; Y68-E72 PolarHBondContact OH-OE1 2.79Å; E72-K74 VanDerWaalsContact C-N 3.25Å; E72-K74 PolarHBondContact O-N 3.11Å; E72-H75 CarbonylContact O-C 3.47Å; E72-H75 PolarHBondContact O-N 3Å; E72-H75 VanDerWaalsContact O-N 3.11Å; E72-D76 WeakPolarHBondContact O-CB 3.26Å; E72-D76 PolarHBondContact O-N 3.39Å
73R78.5Confident70.1Confident189 Ų189101.9 Ų101.971%0.71348%0.478SS*.Hα-helixtrans-61.9-33.9175.5-76.1175.4-177.7-168.81112.6H69 I70 K77H69-R73 WeakPolarHBondContact O-CB 3.12Å; H69-R73 VanDerWaalsContact O-CG 3.24Å; H69-R73 WeakPolarHBondContact O-CG 3.29Å; H69-R73 PolarHBondContact O-N 3.38Å; I70-R73 PolarHBondContact O-N 2.84Å; R73-K77 VanDerWaalsContact O-CB 3.32Å; R73-K77 WeakPolarHBondContact O-CB 3.13Å; R73-K77 WeakPolarHBondContact O-CG 3.47Å; R73-K77 PolarHBondContact O-N 3.16Å
74K75.2Confident67.5Low110 Ų11099.4 Ų99.448%0.47848%0.475SS..Hα-helixtrans-69.6-43173.1-76.1-175.9178.7-1700110.9I70 Q71 E72 K77 V78I70-K74 WeakPolarHBondContact O-CG 3.36Å; I70-K74 PolarHBondContact O-N 3.3Å; Q71-K74 CarbonylContact O-C 3.59Å; Q71-K74 WeakPolarHBondContact O-CB 3.38Å; Q71-K74 PolarHBondContact O-N 3.18Å; E72-K74 VanDerWaalsContact C-N 3.25Å; E72-K74 PolarHBondContact O-N 3.11Å; K74-K77 CarbonylContact O-C 3.56Å; K74-K77 PolarHBondContact O-N 2.99Å; K74-V78 WeakPolarHBondContact O-CB 3.37Å; K74-V78 VanDerWaalsContact O-CG2 3.22Å; K74-V78 WeakPolarHBondContact O-CG2 3.48Å; K74-V78 PolarHBondContact O-N 3.21Å
75H73Confident64.9Low140 Ų140103.6 Ų103.665%0.64851%0.506SS*.Hα-helixtrans-67.9-36.4178.1-156-87.1000111.7Q71 E72 V78 S79Q71-H75 PolarHBondContact O-N 3.48Å; E72-H75 CarbonylContact O-C 3.47Å; E72-H75 PolarHBondContact O-N 3Å; E72-H75 VanDerWaalsContact O-N 3.11Å; H75-V78 PolarHBondContact O-N 3.44Å; H75-S79 WeakPolarHBondContact O-CB 3.45Å; H75-S79 PolarHBondContact O-N 3.18Å; H75-S79 PolarHBondContact O-OG 3.35Å
76D68.9Low62.4Low83 Ų83103.7 Ų103.744%0.44451%0.512SS..Hα-helixtrans-65.8-40.8170-93.22.6000111.8E72 S79 K80E72-D76 WeakPolarHBondContact O-CB 3.26Å; E72-D76 PolarHBondContact O-N 3.39Å; D76-S79 VanDerWaalsContact CA-OG 3.31Å; D76-S79 WeakPolarHBondContact CA-OG 3.48Å; D76-S79 PolarHBondContact O-OG 3.24Å; D76-K80 WeakPolarHBondContact O-CB 3.31Å; D76-K80 VanDerWaalsContact O-CG 3.23Å; D76-K80 WeakPolarHBondContact O-CG 3.3Å; D76-K80 PolarHBondContact O-N 3.26Å
77K58.5Low60.2Low139 Ų139102.2 Ų102.260%0.60451%0.508SS*.Hα-helixtrans-66-41.8173-84.8-173.5175.3-171.90111.6R73 K74 E81R73-K77 VanDerWaalsContact O-CB 3.32Å; R73-K77 WeakPolarHBondContact O-CB 3.13Å; R73-K77 WeakPolarHBondContact O-CG 3.47Å; R73-K77 PolarHBondContact O-N 3.16Å; K74-K77 CarbonylContact O-C 3.56Å; K74-K77 PolarHBondContact O-N 2.99Å; K77-E81 VanDerWaalsContact O-CA 3.27Å; K77-E81 WeakPolarHBondContact O-CA 3.38Å; K77-E81 WeakPolarHBondContact O-CB 3.45Å; K77-E81 WeakPolarHBondContact O-CG 3.31Å; K77-E81 PolarHBondContact O-N 3.11Å
78V56.6Low57.8Low98 Ų98104.3 Ų104.359%0.59452%0.522SS*.Hα-helixtrans-74.1-26.5178.2173.90000112.1K74 H75 E81 K82K74-V78 WeakPolarHBondContact O-CB 3.37Å; K74-V78 VanDerWaalsContact O-CG2 3.22Å; K74-V78 WeakPolarHBondContact O-CG2 3.48Å; K74-V78 PolarHBondContact O-N 3.21Å; H75-V78 PolarHBondContact O-N 3.44Å; V78-E81 CarbonylContact O-C 3.58Å; V78-K82 PolarHBondContact O-N 3.21Å; V78-K82 VanDerWaalsContact O-N 3.13Å
79S49Very low55.4Low57 Ų57105.3 Ų105.340%0.39954%0.535SS..Hα-helixtrans-86.6-27.1175.457.20000113.1H75 D76 K82H75-S79 WeakPolarHBondContact O-CB 3.45Å; H75-S79 PolarHBondContact O-N 3.18Å; H75-S79 PolarHBondContact O-OG 3.35Å; D76-S79 VanDerWaalsContact CA-OG 3.31Å; D76-S79 WeakPolarHBondContact CA-OG 3.48Å; D76-S79 PolarHBondContact O-OG 3.24Å; S79-K82 PolarHBondContact O-N 3.33Å
80K46.9Very low53.5Low171 Ų171104.5 Ų104.574%0.74353%0.534SS*.Hα-helixtrans-83.8-28.3168.4-69.1177-178.9171.30112.7D76 K82D76-K80 WeakPolarHBondContact O-CB 3.31Å; D76-K80 VanDerWaalsContact O-CG 3.23Å; D76-K80 WeakPolarHBondContact O-CG 3.3Å; D76-K80 PolarHBondContact O-N 3.26Å; K80-K82 PolarHBondContact O-N 3.11Å
81E39.8Very low52.1Low128 Ų128104.5 Ų104.560%0.59853%0.534SS*.THydrogen-bonded Turntrans-9248.3157.3-57.4170.5178.300108.4K77 V78 V83K77-E81 VanDerWaalsContact O-CA 3.27Å; K77-E81 WeakPolarHBondContact O-CA 3.38Å; K77-E81 WeakPolarHBondContact O-CB 3.45Å; K77-E81 WeakPolarHBondContact O-CG 3.31Å; K77-E81 PolarHBondContact O-N 3.11Å; V78-E81 CarbonylContact O-C 3.58Å; E81-V83 PolarHBondContact O-N 3.38Å
82K32.2Very low50.2Low170 Ų170104.3 Ų104.374%0.73954%0.544SS*.SBendtrans-49.2109.2134-87.7-176.8179.1-179.80102.8V78 S79 K80V78-K82 PolarHBondContact O-N 3.21Å; V78-K82 VanDerWaalsContact O-N 3.13Å; S79-K82 PolarHBondContact O-N 3.33Å; K80-K82 PolarHBondContact O-N 3.11Å
83V36Very low48.6Very low82 Ų82105.8 Ų105.850%0.49755%0.551SS.*  trans-19.2107.1169.8168.60000105.4E81 S85 E87E81-V83 PolarHBondContact O-N 3.38Å; V83-S85 PolarHBondContact O-N 3.12Å; V83-E87 HydrophobicContact CG1-CB 3.47Å; V83-E87 VanDerWaalsContact CG1-CB 3.47Å; V83-E87 HydrophobicContact CG1-CG 3.64Å; V83-E87 WeakPolarHBondContact CG1-OE2 3.48Å
84P30.8Very low47.4Very low85 Ų8597.9 Ų97.955%0.55253%0.526SS*.  trans-51.5131179.420.5-28.7000102.7A86 E87P84-A86 HydrophobicContact CB-CB 3.88Å; P84-A86 HydrophobicContact CG-CB 4.1Å; P84-A86 CarbonylContact O-C 3.58Å; P84-A86 WeakPolarHBondContact O-CA 3.41Å; P84-A86 PolarHBondContact O-N 3.25Å; P84-E87 PolarHBondContact O-N 3.37Å
85S34.7Very low46.4Very low102 Ų10296.4 Ų96.471%0.71353%0.526SS*.THydrogen-bonded Turntrans-50.8-3.1175.247.30000112.3V83 N88 G89V83-S85 PolarHBondContact O-N 3.12Å; S85-N88 CarbonylContact O-C 3Å; S85-N88 PolarHBondContact O-N 3.2Å; S85-G89 PolarHBondContact O-N 3.06Å
86A35.7Very low45.4Very low44 Ų4497.4 Ų97.436%0.36454%0.536SS..Hα-helixtrans-54.5-26.9155.700000117.5P84 G89 N90P84-A86 HydrophobicContact CB-CB 3.88Å; P84-A86 HydrophobicContact CG-CB 4.1Å; P84-A86 CarbonylContact O-C 3.58Å; P84-A86 WeakPolarHBondContact O-CA 3.41Å; P84-A86 PolarHBondContact O-N 3.25Å; A86-G89 PolarHBondContact O-N 2.86Å; A86-N90 VanDerWaalsContact O-CB 3.26Å; A86-N90 WeakPolarHBondContact O-CB 3.08Å; A86-N90 PolarHBondContact O-N 3.3Å; A86-N90 PolarHBondContact O-ND2 2.89Å
87E39.5Very low44.8Very low116 Ų11697.3 Ų97.354%0.54254%0.539SS..Hα-helixtrans-66.7-48.2167.4-76.5-170.6163.400108.9V83 P84 G89 N90 L91V83-E87 HydrophobicContact CG1-CB 3.47Å; V83-E87 VanDerWaalsContact CG1-CB 3.47Å; V83-E87 HydrophobicContact CG1-CG 3.64Å; V83-E87 WeakPolarHBondContact CG1-OE2 3.48Å; P84-E87 PolarHBondContact O-N 3.37Å; E87-G89 VanDerWaalsContact C-N 3.29Å; E87-G89 PolarHBondContact O-N 2.75Å; E87-N90 PolarHBondContact O-N 3.49Å; E87-L91 WeakPolarHBondContact O-CB 3.28Å; E87-L91 WeakPolarHBondContact O-CD1 3.33Å; E87-L91 WeakPolarHBondContact O-CG 3.34Å; E87-L91 PolarHBondContact O-N 2.99Å
88N37Very low45Very low125 Ų12598.5 Ų98.567%0.66855%0.546SS*.Hα-helixtrans-64.3-32.5173-76.8-10.5000113.1S85 S92S85-N88 CarbonylContact O-C 3Å; S85-N88 PolarHBondContact O-N 3.2Å; N88-S92 PolarHBondContact O-N 3.36Å; N88-S92 PolarHBondContact O-OG 3.13Å
89G37.3Very low45.9Very low31 Ų3196.8 Ų96.832%0.3253%0.534SS..Hα-helixtrans-77.1-30.2179.800000114.9S85 A86 E87 S92S85-G89 PolarHBondContact O-N 3.06Å; A86-G89 PolarHBondContact O-N 2.86Å; E87-G89 VanDerWaalsContact C-N 3.29Å; E87-G89 PolarHBondContact O-N 2.75Å; G89-S92 PolarHBondContact O-OG 3.27Å
90N47.5Very low47.1Very low67 Ų67104.8 Ų104.836%0.35856%0.555SS.*Hα-helixtrans-86.6-31.1173.9-72.2-28.8000111.7A86 E87 S92 E93 A94A86-N90 VanDerWaalsContact O-CB 3.26Å; A86-N90 WeakPolarHBondContact O-CB 3.08Å; A86-N90 PolarHBondContact O-N 3.3Å; A86-N90 PolarHBondContact O-ND2 2.89Å; E87-N90 PolarHBondContact O-N 3.49Å; N90-S92 VanDerWaalsContact C-N 3.28Å; N90-S92 PolarHBondContact O-N 2.79Å; N90-E93 PolarHBondContact O-N 2.7Å; N90-A94 PolarHBondContact O-N 2.93Å
91L50.4Low48.7Very low63 Ų63100.3 Ų100.333%0.3354%0.539SS..Hα-helixtrans-62.7-35.6172.3-71.1166.9000111.4E87 E93 A94 Q164E87-L91 WeakPolarHBondContact O-CB 3.28Å; E87-L91 WeakPolarHBondContact O-CD1 3.33Å; E87-L91 WeakPolarHBondContact O-CG 3.34Å; E87-L91 PolarHBondContact O-N 2.99Å; L91-E93 PolarHBondContact O-N 2.87Å; L91-A94 WeakPolarHBondContact O-CB 3.41Å; L91-A94 PolarHBondContact O-N 2.96Å; L91-Q164 VanDerWaalsContact CD2-CD 3.42Å
92S44.8Very low50.8Low99 Ų9997.9 Ų97.969%0.69253%0.53SS*.THydrogen-bonded Turntrans-68.8-17.3176.257.80000114.4N88 G89 N90N88-S92 PolarHBondContact O-N 3.36Å; N88-S92 PolarHBondContact O-OG 3.13Å; G89-S92 PolarHBondContact O-OG 3.27Å; N90-S92 VanDerWaalsContact C-N 3.28Å; N90-S92 PolarHBondContact O-N 2.79Å
93E48.1Very low53.2Low123 Ų12396.4 Ų96.458%0.57554%0.536SS*.THydrogen-bonded Turntrans-100.3-5.1174.1-69.2-177172.800112.8N90 L91 V95 K138N90-E93 PolarHBondContact O-N 2.7Å; L91-E93 PolarHBondContact O-N 2.87Å; E93-V95 PolarHBondContact O-N 3.38Å; E93-V95 VanDerWaalsContact O-N 3.13Å; E93-K138 IonicContact OE1-NZ 3.65Å; E93-K138 IonicContact OE2-NZ 3.85Å; E93-K138 PolarHBondContact OE2-NZ 3.36Å
94A53.6Low55.6Low23 Ų23101 Ų10119%0.1955%0.551CS.*  trans-64.1116.8177.900000108.7N90 L91 D96 I167N90-A94 PolarHBondContact O-N 2.93Å; L91-A94 WeakPolarHBondContact O-CB 3.41Å; L91-A94 PolarHBondContact O-N 2.96Å; A94-D96 PolarHBondContact O-N 3.07Å; A94-I167 HydrophobicContact CB-CD1 3.78Å
95V53.9Low58.4Low78 Ų7899.8 Ų99.847%0.47354%0.54SS..  trans-70.5121.9172-169.90000106.1E93 T97E93-V95 PolarHBondContact O-N 3.38Å; E93-V95 VanDerWaalsContact O-N 3.13Å; V95-T97 VanDerWaalsContact CB-OG1 3.31Å; V95-T97 WeakPolarHBondContact CB-OG1 3.29Å; V95-T97 HydrophobicContact CG1-CG2 3.75Å; V95-T97 WeakPolarHBondContact CG1-OG1 3.22Å; V95-T97 PolarHBondContact O-N 3.18Å; V95-T97 PolarHBondContact O-OG1 2.62Å
96D52Low61Low161 Ų16199.3 Ų99.386%0.86153%0.534SS*.  trans-7145.4174-161.521.8000111.3A94A94-D96 PolarHBondContact O-N 3.07Å
97T55.9Low63.7Low82 Ų82106.2 Ų106.250%0.50356%0.559SS.*  trans-96.4107.6174.527.70000108.2V95 L99V95-T97 VanDerWaalsContact CB-OG1 3.31Å; V95-T97 WeakPolarHBondContact CB-OG1 3.29Å; V95-T97 HydrophobicContact CG1-CG2 3.75Å; V95-T97 WeakPolarHBondContact CG1-OG1 3.22Å; V95-T97 PolarHBondContact O-N 3.18Å; V95-T97 PolarHBondContact O-OG1 2.62Å; T97-L99 PolarHBondContact O-N 2.93Å
98Q63.6Low66.3Low163 Ų163101.5 Ų101.576%0.76254%0.54SS*.PPolyproline II helixtrans-58.8127.5160.7-70.6-178.7-6.200108.8R100Q98-R100 PolarHBondContact O-N 3.08Å; Q98-R100 VanDerWaalsContact O-N 3.14Å
99L74.8Confident69.1Low62 Ų62101.1 Ų101.133%0.32553%0.533SS..PPolyproline II helixtrans-62.5116.7170.5-69170.9000108T97 L160 T163 W201T97-L99 PolarHBondContact O-N 2.93Å; L99-L160 HydrophobicContact CD1-CD2 4.11Å; L99-L160 HydrophobicContact CD2-CD2 3.75Å; L99-T163 HydrophobicContact CD1-CG2 4.01Å; L99-T163 HydrophobicContact CD2-CG2 3.88Å; L99-T163 HydrophobicContact CG-CG2 3.63Å; L99-W201 HydrophobicContact CD1-CG 4.33Å
100R74.9Confident71.9Confident225 Ų225108.4 Ų108.485%0.84955%0.55SS**PPolyproline II helixtrans-96.4132.8166.7-67.5-175.4179.7178.60.6107.8Q98 D102Q98-R100 PolarHBondContact O-N 3.08Å; Q98-R100 VanDerWaalsContact O-N 3.14Å; R100-D102 PolarHBondContact O-N 3.31Å
101L80.7Confident74.3Confident78 Ų78106 Ų10641%0.40854%0.539SS..PPolyproline II helixtrans-60.6131.5170.8-67.3173.2000108.5T103 Y178L101-T103 PolarHBondContact O-N 3.4Å; L101-Y178 HydrophobicContact CD1-CD1 4.44Å; L101-Y178 HydrophobicContact CD1-CD2 4.42Å; L101-Y178 HydrophobicContact CD1-CE1 3.94Å; L101-Y178 HydrophobicContact CD1-CE2 3.92Å; L101-Y178 HydrophobicContact CD2-CD1 4.14Å; L101-Y178 HydrophobicContact CD2-CD2 3.56Å; L101-Y178 HydrophobicContact CD2-CE1 4.41Å; L101-Y178 HydrophobicContact CD2-CE2 3.88Å; L101-Y178 HydrophobicContact CD2-CG 3.71Å
102D82.8Confident76.5Confident77 Ų77107.3 Ų107.341%0.41254%0.542SS..  trans-69.5114.5175.1-174.6-7.3000109.4R100 E104 L105R100-D102 PolarHBondContact O-N 3.31Å; D102-E104 PolarHBondContact O-N 2.83Å; D102-E104 WeakPolarHBondContact OD1-CB 3.4Å; D102-E104 PolarHBondContact OD1-N 2.9Å; D102-L105 HydrophobicContact CB-CD1 3.9Å; D102-L105 HydrophobicContact CB-CG 3.94Å; D102-L105 PolarHBondContact O-N 2.98Å
103T82.2Confident79Confident139 Ų139103.2 Ų103.285%0.85351%0.512SS*.THydrogen-bonded Turntrans-75.2-11.3-179.451.50000113.1L101 L105L101-T103 PolarHBondContact O-N 3.4Å; T103-L105 VanDerWaalsContact C-N 3.34Å
104E86.8Confident81.2Confident178 Ų178105.5 Ų105.583%0.83252%0.515SS*.THydrogen-bonded Turntrans-81.2-17.2174.8-58.6-171.4168.900112.3D102D102-E104 PolarHBondContact O-N 2.83Å; D102-E104 WeakPolarHBondContact OD1-CB 3.4Å; D102-E104 PolarHBondContact OD1-N 2.9Å
105L89.6Confident83.2Confident59 Ų59107.3 Ų107.331%0.30952%0.522SS..SBendtrans-74.7150.3176.4-65.6178.4000111.7D102 T103 D199D102-L105 HydrophobicContact CB-CD1 3.9Å; D102-L105 HydrophobicContact CB-CG 3.94Å; D102-L105 PolarHBondContact O-N 2.98Å; T103-L105 VanDerWaalsContact C-N 3.34Å; L105-D199 HydrophobicContact CD1-CB 3.82Å
106P89.2Confident85.2Confident92 Ų92103.6 Ų103.660%0.59750%0.499SS*.PPolyproline II helixtrans-52.5148.4173.5-25.633.9000112.5A108 R123P106-A108 PolarHBondContact O-N 2.82Å; P106-R123 WeakPolarHBondContact O-CD 3.33Å; P106-R123 PolarHBondContact O-NH1 3.11Å
107E92.3Very high86.8Confident189 Ų189101.5 Ų101.588%0.88348%0.484SS*.PPolyproline II helixtrans-57.9128.9175.2-170.6179.7179.200110.3K109E107-K109 PolarHBondContact O-N 3.48Å
108A94.8Very high88.5Confident17 Ų17102.9 Ų102.914%0.1449%0.493CS..PPolyproline II helixtrans-79.9123-176.300000110.9P106 R110 R123 C125 Y178P106-A108 PolarHBondContact O-N 2.82Å; A108-R110 PolarHBondContact O-N 3.41Å; A108-R123 WeakPolarHBondContact CA-O 3.34Å; A108-R123 HydrophobicContact CB-CG 4.06Å; A108-C125 HydrophobicContact CB-CB 4.06Å; A108-Y178 HydrophobicContact CB-CD1 3.56Å; A108-Y178 HydrophobicContact CB-CE1 4Å
109K95.4Very high89.9Confident118 Ų11895.4 Ų95.451%0.51346%0.458SS..EExtended strand (participates in β ladder)trans-73.6116.9175.4-171.7177-178.6178.90110.6E107 C111 L119 R123 V124 C125E107-K109 PolarHBondContact O-N 3.48Å; K109-C111 PolarHBondContact O-N 2.93Å; K109-L119 HydrophobicContact CD-CD1 4.33Å; K109-L119 HydrophobicContact CD-CD2 3.99Å; K109-R123 PolarHBondContact N-O 3.02Å; K109-V124 VanDerWaalsContact O-CA 3.27Å; K109-V124 WeakPolarHBondContact O-CA 3.45Å; K109-V124 WeakPolarHBondContact O-CB 3.31Å; K109-C125 PolarHBondContact O-N 3.18Å
110R96.9Very high90.7Very high183 Ų18396.6 Ų96.669%0.69146%0.459SS*.EExtended strand (participates in β ladder)trans-66.3130172.5-173.1178.7-175.3-173.64.3110.6A108 C125 Y127A108-R110 PolarHBondContact O-N 3.41Å; R110-C125 WeakPolarHBondContact CA-O 3.4Å; R110-Y127 HydrophobicContact CG-CD2 4.26Å; R110-Y127 HydrophobicContact CG-CE2 4.01Å; R110-Y127 VanDerWaalsContact NE-CE2 3.31Å
111C96.9Very high91.4Very high17 Ų1792.6 Ų92.612%0.11545%0.449CS..EExtended strand (participates in β ladder)trans-152.6170.3-179.456.40000112.8K109 D115 L116 L119 C125K109-C111 PolarHBondContact O-N 2.93Å; C111-D115 HydrophobicContact CB-CB 4.4Å; C111-L116 WeakPolarHBondContact SG-CD2 3.24Å; C111-L119 HydrophobicContact CB-CD1 3.87Å; C111-C125 PolarHBondContact N-O 3.45Å
112K97.7Very high92.1Very high90 Ų9093 Ų9339%0.39145%0.449SS..  trans-93158.3167.9-69.4-69.1-173.5175.10110.2R114 D115 D147 T149K112-R114 HydrophobicContact CB-CG 4.03Å; K112-R114 PolarHBondContact O-N 3.33Å; K112-D115 WeakPolarHBondContact CB-OD2 3.43Å; K112-D115 PolarHBondContact N-OD2 3.11Å; K112-D115 PolarHBondContact O-N 3.3Å; K112-D147 WeakPolarHBondContact CA-OD2 3.23Å; K112-D147 WeakPolarHBondContact CD-OD2 3.48Å; K112-T149 HydrophobicContact CB-CG2 4.04Å; K112-T149 HydrophobicContact CD-CG2 4.08Å; K112-T149 HydrophobicContact CG-CG2 4.16Å
113I97.4Very high92.8Very high13 Ų1390.6 Ų90.67%0.06743%0.434CS..G310 helixtrans-55.7-39.5179.9-68174000111.5D115 L116 V126 D147 T149 G150 F151 L152I113-D115 PolarHBondContact O-N 3.32Å; I113-D115 VanDerWaalsContact O-N 3.12Å; I113-L116 HydrophobicContact CB-CD1 4.35Å; I113-L116 HydrophobicContact CG1-CD1 4.42Å; I113-L116 HydrophobicContact CG2-CD1 4.29Å; I113-L116 WeakPolarHBondContact O-CB 3.43Å; I113-L116 WeakPolarHBondContact O-CG 3.22Å; I113-L116 PolarHBondContact O-N 3.2Å; I113-V126 HydrophobicContact CG1-CG1 3.83Å; I113-D147 HydrophobicContact CD1-CB 3.92Å; I113-D147 HydrophobicContact CG1-CB 4.22Å; I113-D147 PolarHBondContact N-OD2 3.08Å; I113-T149 PolarHBondContact N-OG1 3.25Å; I113-G150 WeakPolarHBondContact CD1-O 3.48Å; I113-F151 WeakPolarHBondContact CG2-O 3.37Å; I113-L152 HydrophobicContact CD1-CB 3.83Å; I113-L152 HydrophobicContact CG1-CB 4Å; I113-L152 HydrophobicContact CG1-CD2 4.48Å; I113-L152 HydrophobicContact CG2-CB 4.15Å
114R94.7Very high93.5Very high172 Ų17284 Ų8465%0.64939%0.394SS*.G310 helixtrans-58.8-23.2177.964.9173.7-173.4-162.6-0.8114.7K112 T149K112-R114 HydrophobicContact CB-CG 4.03Å; K112-R114 PolarHBondContact O-N 3.33Å; R114-T149 HydrophobicContact CG-CG2 4.18Å; R114-T149 PolarHBondContact N-OG1 2.94Å
115D95.4Very high94Very high60 Ų6075.7 Ų75.732%0.32136%0.355SS..G310 helixtrans-91.4-11.1-174-50.7-45.6000112C111 K112 I113 Q117 T118C111-D115 HydrophobicContact CB-CB 4.4Å; K112-D115 WeakPolarHBondContact CB-OD2 3.43Å; K112-D115 PolarHBondContact N-OD2 3.11Å; K112-D115 PolarHBondContact O-N 3.3Å; I113-D115 PolarHBondContact O-N 3.32Å; I113-D115 VanDerWaalsContact O-N 3.12Å; D115-Q117 VanDerWaalsContact C-N 3.29Å; D115-Q117 PolarHBondContact O-N 3.37Å; D115-T118 PolarHBondContact O-N 3.39Å; D115-T118 VanDerWaalsContact O-N 3.1Å; D115-T118 PolarHBondContact O-OG1 3.43Å
116L95.1Very high94.4Very high0 Ų072.9 Ų72.90%034%0.341CS..G310 helixtrans-65.8-25.9-168.9-67.4172.7000114.5C111 I113 T118 L119 V124 V126 L152 V181 I194C111-L116 WeakPolarHBondContact SG-CD2 3.24Å; I113-L116 HydrophobicContact CB-CD1 4.35Å; I113-L116 HydrophobicContact CG1-CD1 4.42Å; I113-L116 HydrophobicContact CG2-CD1 4.29Å; I113-L116 WeakPolarHBondContact O-CB 3.43Å; I113-L116 WeakPolarHBondContact O-CG 3.22Å; I113-L116 PolarHBondContact O-N 3.2Å; L116-T118 PolarHBondContact O-N 2.79Å; L116-T118 VanDerWaalsContact O-N 3.11Å; L116-L119 PolarHBondContact O-N 2.88Å; L116-V124 HydrophobicContact CD2-CB 4.44Å; L116-V124 HydrophobicContact CD2-CG1 4.36Å; L116-V124 HydrophobicContact CD2-CG2 3.97Å; L116-V126 HydrophobicContact CD1-CG2 4.46Å; L116-V126 HydrophobicContact CD2-CG2 4.1Å; L116-L152 HydrophobicContact CD1-CD1 3.72Å; L116-L152 HydrophobicContact CD1-CD2 3.55Å; L116-L152 HydrophobicContact CD1-CG 4.12Å; L116-V181 HydrophobicContact CD2-CG2 3.8Å; L116-I194 HydrophobicContact CB-CD1 3.56Å; L116-I194 HydrophobicContact CD1-CD1 4.21Å
117Q86.6Confident94.9Very high118 Ų11871.7 Ų71.755%0.55133%0.325SS*.G310 helixtrans-62.4-17.1175.8-69.9-174.9-14.700112.9D115 Y120D115-Q117 VanDerWaalsContact C-N 3.29Å; D115-Q117 PolarHBondContact O-N 3.37Å; Q117-Y120 WeakPolarHBondContact O-CD2 3.26Å; Q117-Y120 WeakPolarHBondContact O-CE2 3.44Å
118T91Very high95.2Very high110 Ų11063 Ų6368%0.67529%0.286SS*.G310 helixtrans-97.7-1.1175.865.70000113.3D115 L116D115-T118 PolarHBondContact O-N 3.39Å; D115-T118 VanDerWaalsContact O-N 3.1Å; D115-T118 PolarHBondContact O-OG1 3.43Å; L116-T118 PolarHBondContact O-N 2.79Å; L116-T118 VanDerWaalsContact O-N 3.11Å
119L93.1Very high95.3Very high6 Ų666.9 Ų66.93%0.03130%0.297CS..  trans-119.629.4-170.6-57.9177000112.4K109 C111 L116 H121 Q122 V124K109-L119 HydrophobicContact CD-CD1 4.33Å; K109-L119 HydrophobicContact CD-CD2 3.99Å; C111-L119 HydrophobicContact CB-CD1 3.87Å; L116-L119 PolarHBondContact O-N 2.88Å; L119-H121 PolarHBondContact O-N 2.77Å; L119-Q122 WeakPolarHBondContact O-CB 3.43Å; L119-Q122 PolarHBondContact O-N 3.42Å; L119-Q122 VanDerWaalsContact O-N 3.17Å; L119-V124 HydrophobicContact CB-CG1 4.11Å; L119-V124 HydrophobicContact CD1-CG1 3.95Å
120Y90.3Very high95.5Very high88 Ų8861.3 Ų61.335%0.34527%0.273SS..THydrogen-bonded Turntrans-53.8136.6176.9-71.7-67.7000112.1Q117 Q122 V181 Q183 I194Q117-Y120 WeakPolarHBondContact O-CD2 3.26Å; Q117-Y120 WeakPolarHBondContact O-CE2 3.44Å; Y120-Q122 PolarHBondContact O-N 3.44Å; Y120-V181 HydrophobicContact CD1-CG1 4.42Å; Y120-Q183 HydrophobicContact CE1-CB 4.48Å; Y120-I194 HydrophobicContact CD1-CG2 4.49Å; Y120-I194 HydrophobicContact CE1-CG2 3.44Å; Y120-I194 VanDerWaalsContact CE1-CG2 3.44Å
121H91.5Very high95.5Very high140 Ų14053.9 Ų53.965%0.64825%0.246SC*.THydrogen-bonded Turntrans61.66.7179.3-49.4-65.6000115.1L119 V181L119-H121 PolarHBondContact O-N 2.77Å; H121-V181 WeakPolarHBondContact CA-O 3.46Å; H121-V181 PolarHBondContact N-O 2.91Å
122Q94.3Very high95.5Very high87 Ų8759.9 Ų59.941%0.40727%0.266SS..SBendtrans-92.7151.3173.9-63.2176.446.500110.4L119 Y120 V180 V181L119-Q122 WeakPolarHBondContact O-CB 3.43Å; L119-Q122 PolarHBondContact O-N 3.42Å; L119-Q122 VanDerWaalsContact O-N 3.17Å; Y120-Q122 PolarHBondContact O-N 3.44Å; Q122-V180 WeakPolarHBondContact O-CA 3.39Å; Q122-V181 PolarHBondContact O-N 3.11Å
123R96.9Very high95.4Very high27 Ų2757.3 Ų57.310%0.10226%0.256CS..EExtended strand (participates in β ladder)trans-80.5126.3170.6-170.4167.4177.2-1061.7109.7P106 A108 K109 G179 V180 D199P106-R123 WeakPolarHBondContact O-CD 3.33Å; P106-R123 PolarHBondContact O-NH1 3.11Å; A108-R123 WeakPolarHBondContact CA-O 3.34Å; A108-R123 HydrophobicContact CB-CG 4.06Å; K109-R123 PolarHBondContact N-O 3.02Å; R123-G179 CarbonylContact C-O 3.52Å; R123-G179 VanDerWaalsContact CA-O 3.3Å; R123-G179 WeakPolarHBondContact CA-O 3.22Å; R123-V180 HydrophobicContact CB-CG2 4.38Å; R123-D199 WeakPolarHBondContact CD-OD2 3.36Å; R123-D199 IonicContact CZ-OD1 3.87Å; R123-D199 IonicContact CZ-OD2 3.39Å; R123-D199 VanDerWaalsContact NE-CG 3.29Å; R123-D199 IonicContact NE-OD1 2.82Å; R123-D199 PolarHBondContact NE-OD1 3.43Å; R123-D199 IonicContact NE-OD2 3.49Å; R123-D199 PolarHBondContact NE-OD2 2.82Å; R123-D199 IonicContact NH2-OD1 3.82Å; R123-D199 PolarHBondContact NH2-OD1 2.9Å
124V97.6Very high95.3Very high0 Ų063.6 Ų63.60%028%0.279CS..EExtended strand (participates in β ladder)trans-128.4159.6-175.3-61.20000111.2K109 L116 L119 V126 Y178 G179 V181 L196K109-V124 VanDerWaalsContact O-CA 3.27Å; K109-V124 WeakPolarHBondContact O-CA 3.45Å; K109-V124 WeakPolarHBondContact O-CB 3.31Å; L116-V124 HydrophobicContact CD2-CB 4.44Å; L116-V124 HydrophobicContact CD2-CG1 4.36Å; L116-V124 HydrophobicContact CD2-CG2 3.97Å; L119-V124 HydrophobicContact CB-CG1 4.11Å; L119-V124 HydrophobicContact CD1-CG1 3.95Å; V124-V126 HydrophobicContact CG2-CG2 4.02Å; V124-Y178 WeakPolarHBondContact O-CA 3.4Å; V124-G179 PolarHBondContact N-O 3.24Å; V124-G179 PolarHBondContact O-N 2.9Å; V124-G179 VanDerWaalsContact O-N 3.12Å; V124-V181 HydrophobicContact CB-CG2 4.49Å; V124-V181 HydrophobicContact CG1-CG2 4.06Å; V124-V181 HydrophobicContact CG2-CG2 3.59Å; V124-L196 HydrophobicContact CG2-CD1 3.43Å; V124-L196 VanDerWaalsContact CG2-CD1 3.43Å
125C97.6Very high95.3Very high4 Ų461 Ų613%0.02727%0.269CS..EExtended strand (participates in β ladder)trans-118.9120.1168.6174.70000109.3A108 K109 R110 C111 Y127 V177 Y178A108-C125 HydrophobicContact CB-CB 4.06Å; K109-C125 PolarHBondContact O-N 3.18Å; R110-C125 WeakPolarHBondContact CA-O 3.4Å; C111-C125 PolarHBondContact N-O 3.45Å; C125-Y127 VanDerWaalsContact SG-CE2 3.52Å; C125-V177 WeakPolarHBondContact CA-O 3.33Å; C125-Y178 HydrophobicContact CB-CD1 3.88Å; C125-Y178 HydrophobicContact CB-CE1 3.74Å; C125-Y178 HydrophobicContact CB-CG 4.45Å
126V98.3Very high95.2Very high0 Ų064.1 Ų64.10%028%0.282CS..EExtended strand (participates in β ladder)trans-118.6125.7-178.3-170.90000109.8I113 L116 V124 L145 L152 V177 L196I113-V126 HydrophobicContact CG1-CG1 3.83Å; L116-V126 HydrophobicContact CD1-CG2 4.46Å; L116-V126 HydrophobicContact CD2-CG2 4.1Å; V124-V126 HydrophobicContact CG2-CG2 4.02Å; V126-L145 HydrophobicContact CB-CD2 4.15Å; V126-L145 HydrophobicContact CG1-CD2 3.68Å; V126-L152 HydrophobicContact CB-CD2 4.47Å; V126-L152 HydrophobicContact CG1-CD2 4.34Å; V126-L152 HydrophobicContact CG2-CD2 4.18Å; V126-V177 PolarHBondContact N-O 3.38Å; V126-V177 PolarHBondContact O-N 2.77Å; V126-L196 HydrophobicContact CG2-CD2 4.42Å
127Y98.5Very high95.1Very high66 Ų6666.9 Ų66.926%0.25930%0.301SS..EExtended strand (participates in β ladder)trans-95.9137.8174.1-68.7-94000109.7R110 C125 D147 E176 I204R110-Y127 HydrophobicContact CG-CD2 4.26Å; R110-Y127 HydrophobicContact CG-CE2 4.01Å; R110-Y127 VanDerWaalsContact NE-CE2 3.31Å; C125-Y127 VanDerWaalsContact SG-CE2 3.52Å; Y127-D147 VanDerWaalsContact O-CB 3.29Å; Y127-D147 WeakPolarHBondContact O-CB 3.48Å; Y127-E176 HydrophobicContact CD1-CB 3.82Å; Y127-E176 HydrophobicContact CE1-CB 3.51Å; Y127-E176 HydrophobicContact CE1-CG 4.4Å; Y127-E176 WeakPolarHBondContact CE1-OE2 3.31Å; Y127-E176 VanDerWaalsContact CZ-OE2 3.26Å; Y127-E176 PolarHBondContact OH-OE2 3.04Å; Y127-I204 HydrophobicContact CD1-CD1 3.54Å; Y127-I204 HydrophobicContact CE1-CD1 3.89Å
128G98.4Very high95.3Very high7 Ų767.1 Ų67.17%0.07230%0.301CS..EExtended strand (participates in β ladder)trans-175.8-176.817400000115.2R146 T174 V175G128-R146 CarbonylContact C-O 3.44Å; G128-R146 WeakPolarHBondContact CA-O 3.46Å; G128-T174 WeakPolarHBondContact O-CA 3.43Å; G128-V175 PolarHBondContact N-O 2.86Å; G128-V175 PolarHBondContact O-N 3Å
129W98.7Very high95.5Very high99 Ų9964.9 Ų64.938%0.37529%0.287SS..EExtended strand (participates in β ladder)trans-94.1137.7172.1-67.3-93.9000110H131 R146 S173 T174W129-H131 PolarHBondContact O-N 3.11Å; W129-R146 PolarHBondContact N-O 3.28Å; W129-R146 PolarHBondContact O-N 2.94Å; W129-S173 WeakPolarHBondContact CA-O 3.29Å; W129-T174 VanDerWaalsContact CD1-CG2 3.45Å; W129-T174 HydrophobicContact CD2-CG2 4.21Å; W129-T174 HydrophobicContact CG-CG2 4.03Å; W129-T174 HydrophobicContact CZ2-CG2 4.46Å; W129-T174 VanDerWaalsContact NE1-CG2 3.26Å
130V98.4Very high95.6Very high0 Ų066.6 Ų66.60%030%0.296CS..EExtended strand (participates in β ladder)trans-72.595174.5177.30000109.1I133 I143 L169 P171 E172 S173 V175V130-I133 HydrophobicContact CG1-CD1 3.56Å; V130-I133 HydrophobicContact CG1-CG1 3.15Å; V130-I143 HydrophobicContact CB-CG2 4.39Å; V130-I143 HydrophobicContact CG1-CG2 3.93Å; V130-I143 HydrophobicContact CG2-CD1 4.43Å; V130-I143 HydrophobicContact CG2-CG2 4.18Å; V130-L169 HydrophobicContact CG2-CD1 4.25Å; V130-L169 HydrophobicContact CG2-CD2 4.29Å; V130-P171 CarbonylContact O-C 3.57Å; V130-P171 WeakPolarHBondContact O-CA 3.47Å; V130-E172 PolarHBondContact O-N 2.87Å; V130-S173 WeakPolarHBondContact CG2-O 3.4Å; V130-S173 PolarHBondContact N-O 2.85Å; V130-V175 HydrophobicContact CG2-CB 4.48Å; V130-V175 HydrophobicContact CG2-CG1 3.8Å; V130-V175 HydrophobicContact CG2-CG2 3.81Å
131H97.8Very high95.9Very high27 Ų2762.5 Ų62.513%0.12528%0.28CS..EExtended strand (participates in β ladder)trans-73.4-41.1-177.4-174.954000112.3W129 I144 R146 F151W129-H131 PolarHBondContact O-N 3.11Å; H131-I144 WeakPolarHBondContact CA-O 3.5Å; H131-I144 HydrophobicContact CB-CG2 4.45Å; H131-I144 WeakPolarHBondContact CB-O 3.31Å; H131-I144 PolarHBondContact N-O 2.86Å; H131-R146 HydrophobicContact CB-CB 4.05Å; H131-R146 PolarHBondContact ND1-NH1 3.39Å; H131-F151 HydrophobicContact CB-CD1 4.33Å; H131-F151 HydrophobicContact CB-CE1 4.09Å; H131-F151 AromaticContact CD2-CD1 3.95Å; H131-F151 AromaticContact CD2-CE1 3.37Å; H131-F151 WeakPolarHBondContact CD2-CE1 3.27Å; H131-F151 AromaticContact CG-CE1 3.63Å; H131-F151 AromaticContact NE2-CE1 3.88Å
132R96.4Very high96.2Very high144 Ų14457.2 Ų57.254%0.54326%0.255SS..EExtended strand (participates in β ladder)trans-141.8147.9174.1-60.1-175.9-169.4169.38.5110I143 I144 E236R132-I143 WeakPolarHBondContact O-CA 3.15Å; R132-I144 HydrophobicContact CB-CB 4.15Å; R132-I144 HydrophobicContact CB-CG1 4.21Å; R132-I144 PolarHBondContact N-O 2.9Å; R132-I144 PolarHBondContact O-N 3.23Å; R132-E236 IonicContact NH2-OE2 2.78Å
133I96.4Very high96.4Very high36 Ų3653 Ų5319%0.18524%0.235CC..EExtended strand (participates in β ladder)trans-124.5134.7173.1-51.8175.2000108.1V130 R135 M141 F142 L169 S170 P171V130-I133 HydrophobicContact CG1-CD1 3.56Å; V130-I133 HydrophobicContact CG1-CG1 3.15Å; I133-R135 HydrophobicContact CG2-CG 4.26Å; I133-M141 HydrophobicContact CG2-CG 4.08Å; I133-M141 HydrophobicContact CG2-SD 4.04Å; I133-F142 WeakPolarHBondContact CA-O 3.43Å; I133-L169 HydrophobicContact CD1-CB 4.36Å; I133-L169 HydrophobicContact CD1-CD2 4.04Å; I133-L169 HydrophobicContact CD1-CG 3.79Å; I133-L169 WeakPolarHBondContact CD1-O 3.44Å; I133-S170 VanDerWaalsContact CD1-C 3.45Å; I133-P171 HydrophobicContact CD1-CG 4.31Å; I133-P171 HydrophobicContact CG1-CG 4.46Å
134R95.5Very high96.4Very high145 Ų14553.4 Ų53.455%0.54724%0.239SC..EExtended strand (participates in β ladder)trans-131.6109.1168-174.5-177.270.1179.30.3109.4F142R134-F142 HydrophobicContact CB-CB 4.39Å; R134-F142 PolarHBondContact N-O 3.25Å; R134-F142 PolarHBondContact O-N 2.66Å
135R94.6Very high96.4Very high116 Ų11653.4 Ų53.444%0.43824%0.239SC..EExtended strand (participates in β ladder)trans-86.6111.2171.2-64.7-179.9178.885.3-0.7108.2I133 M141 A166 I167 L169I133-R135 HydrophobicContact CG2-CG 4.26Å; R135-M141 HydrophobicContact CG-CB 4.44Å; R135-M141 HydrophobicContact CG-CG 4.1Å; R135-M141 HydrophobicContact CG-SD 4.31Å; R135-A166 PolarHBondContact NE-O 3.5Å; R135-A166 PolarHBondContact NH2-O 3.11Å; R135-I167 PolarHBondContact NH2-O 2.85Å; R135-L169 PolarHBondContact NH2-O 3.06Å
136Q92.8Very high96.5Very high126 Ų12654.4 Ų54.459%0.58924%0.242SC*.EExtended strand (participates in β ladder)trans-88.5-32.8-179-176.3171.4-2.900111.5L140 F142Q136-L140 HydrophobicContact CB-CD2 4.22Å; Q136-L140 HydrophobicContact CB-CG 4.41Å; Q136-L140 HydrophobicContact CG-CD2 4.38Å; Q136-L140 PolarHBondContact N-O 3.28Å; Q136-F142 HydrophobicContact CB-CD2 4.42Å; Q136-F142 HydrophobicContact CB-CE2 4.02Å
137S92.9Very high96.4Very high58 Ų5854.7 Ų54.741%0.40624%0.244SC..EExtended strand (participates in β ladder)trans-151.9179.3172.5750000109.8T139 L140S137-T139 PolarHBondContact O-N 3.44Å; S137-T139 PolarHBondContact OG-N 2.83Å; S137-T139 PolarHBondContact OG-OG1 2.78Å; S137-L140 PolarHBondContact N-O 2.76Å; S137-L140 PolarHBondContact O-N 2.97Å; S137-L140 WeakPolarHBondContact OG-CB 3.48Å; S137-L140 PolarHBondContact OG-N 3.37Å
138K91.4Very high96.3Very high124 Ų12453.3 Ų53.354%0.53925%0.249SC..THydrogen-bonded Turntrans-58.9-25.6172.3-70.9-169173.7-172.40112.8E93 C161 L162E93-K138 IonicContact OE1-NZ 3.65Å; E93-K138 IonicContact OE2-NZ 3.85Å; E93-K138 PolarHBondContact OE2-NZ 3.36Å; K138-C161 VanDerWaalsContact O-CB 3.29Å; K138-C161 WeakPolarHBondContact O-CB 3.39Å; K138-L162 WeakPolarHBondContact O-CD2 3.15Å
139T94.2Very high96.1Very high62 Ų6254.9 Ų54.938%0.3826%0.258SS..THydrogen-bonded Turntrans-114.310.7-175.256.80000113.2S137 S157 N158S137-T139 PolarHBondContact O-N 3.44Å; S137-T139 PolarHBondContact OG-N 2.83Å; S137-T139 PolarHBondContact OG-OG1 2.78Å; T139-S157 CarbonylContact O-C 3.51Å; T139-S157 VanDerWaalsContact O-CA 3.24Å; T139-S157 WeakPolarHBondContact O-CA 3.41Å; T139-N158 PolarHBondContact O-N 2.96Å
140L96.1Very high95.9Very high42 Ų4251.3 Ų51.322%0.2225%0.252CS..EExtended strand (participates in β ladder)trans-145.2116.8-179.4-17265000111.7Q136 S137 F142 V155 F156Q136-L140 HydrophobicContact CB-CD2 4.22Å; Q136-L140 HydrophobicContact CB-CG 4.41Å; Q136-L140 HydrophobicContact CG-CD2 4.38Å; Q136-L140 PolarHBondContact N-O 3.28Å; S137-L140 PolarHBondContact N-O 2.76Å; S137-L140 PolarHBondContact O-N 2.97Å; S137-L140 WeakPolarHBondContact OG-CB 3.48Å; S137-L140 PolarHBondContact OG-N 3.37Å; L140-F142 HydrophobicContact CD1-CE2 4.23Å; L140-F142 HydrophobicContact CD1-CZ 4.14Å; L140-F142 HydrophobicContact CD2-CE2 3.75Å; L140-F142 HydrophobicContact CD2-CZ 3.88Å; L140-F142 HydrophobicContact CG-CE2 3.66Å; L140-F142 HydrophobicContact CG-CZ 3.99Å; L140-V155 HydrophobicContact CD1-CG1 3.96Å; L140-F156 WeakPolarHBondContact CA-O 3.3Å
141M96.7Very high95.8Very high3 Ų353.5 Ų53.52%0.01526%0.261CS..EExtended strand (participates in β ladder)trans-130.3136.1179.5176.4177.766.100110.3I133 R135 I143 F156 L169 W201I133-M141 HydrophobicContact CG2-CG 4.08Å; I133-M141 HydrophobicContact CG2-SD 4.04Å; R135-M141 HydrophobicContact CG-CB 4.44Å; R135-M141 HydrophobicContact CG-CG 4.1Å; R135-M141 HydrophobicContact CG-SD 4.31Å; M141-I143 HydrophobicContact CE-CD1 3.99Å; M141-I143 HydrophobicContact CE-CG1 4.44Å; M141-I143 HydrophobicContact CG-CG1 4.39Å; M141-I143 HydrophobicContact SD-CD1 4.48Å; M141-F156 HydrophobicContact CB-CB 4.26Å; M141-F156 HydrophobicContact CE-CB 4.08Å; M141-F156 HydrophobicContact CE-CD1 4.33Å; M141-F156 HydrophobicContact CE-CD2 4Å; M141-F156 HydrophobicContact CE-CG 3.87Å; M141-F156 PolarHBondContact N-O 3.23Å; M141-F156 PolarHBondContact O-N 3.26Å; M141-L169 HydrophobicContact CE-CD2 4.31Å; M141-L169 HydrophobicContact SD-CD2 4.32Å; M141-W201 HydrophobicContact CE-CZ2 4.19Å
142F96.9Very high95.8Very high28 Ų2852.2 Ų52.212%0.12326%0.255CS..EExtended strand (participates in β ladder)trans-111.2132.9173.6-60-95000109.3I133 R134 Q136 L140 C154 V155I133-F142 WeakPolarHBondContact CA-O 3.43Å; R134-F142 HydrophobicContact CB-CB 4.39Å; R134-F142 PolarHBondContact N-O 3.25Å; R134-F142 PolarHBondContact O-N 2.66Å; Q136-F142 HydrophobicContact CB-CD2 4.42Å; Q136-F142 HydrophobicContact CB-CE2 4.02Å; L140-F142 HydrophobicContact CD1-CE2 4.23Å; L140-F142 HydrophobicContact CD1-CZ 4.14Å; L140-F142 HydrophobicContact CD2-CE2 3.75Å; L140-F142 HydrophobicContact CD2-CZ 3.88Å; L140-F142 HydrophobicContact CG-CE2 3.66Å; L140-F142 HydrophobicContact CG-CZ 3.99Å; F142-C154 WeakPolarHBondContact CA-O 3.32Å; F142-V155 HydrophobicContact CD1-CG1 4.34Å; F142-V155 HydrophobicContact CD1-CG2 3.91Å; F142-V155 HydrophobicContact CE1-CB 4.47Å; F142-V155 HydrophobicContact CE1-CG1 3.92Å; F142-V155 HydrophobicContact CE1-CG2 3.87Å; F142-V155 HydrophobicContact CZ-CG1 4.43Å
143I97.6Very high95.9Very high0 Ų046.8 Ų46.80%024%0.236CC..EExtended strand (participates in β ladder)trans-119.1133.8172.7-65.6178.6000108.4V130 R132 M141 L145 Q153 C154 F156 L169V130-I143 HydrophobicContact CB-CG2 4.39Å; V130-I143 HydrophobicContact CG1-CG2 3.93Å; V130-I143 HydrophobicContact CG2-CD1 4.43Å; V130-I143 HydrophobicContact CG2-CG2 4.18Å; R132-I143 WeakPolarHBondContact O-CA 3.15Å; M141-I143 HydrophobicContact CE-CD1 3.99Å; M141-I143 HydrophobicContact CE-CG1 4.44Å; M141-I143 HydrophobicContact CG-CG1 4.39Å; M141-I143 HydrophobicContact SD-CD1 4.48Å; I143-L145 HydrophobicContact CG2-CB 4.48Å; I143-Q153 CarbonylContact O-C 3.5Å; I143-Q153 WeakPolarHBondContact O-CA 3.37Å; I143-C154 HydrophobicContact CB-CB 4.37Å; I143-C154 PolarHBondContact N-O 3.36Å; I143-C154 PolarHBondContact O-N 3.43Å; I143-F156 HydrophobicContact CB-CE2 3.89Å; I143-F156 HydrophobicContact CD1-CD2 4.13Å; I143-F156 HydrophobicContact CD1-CE2 3.48Å; I143-F156 VanDerWaalsContact CD1-CE2 3.48Å; I143-F156 HydrophobicContact CD1-CZ 3.82Å; I143-F156 HydrophobicContact CG1-CD2 4.2Å; I143-F156 HydrophobicContact CG1-CE2 3.74Å; I143-L169 HydrophobicContact CD1-CD2 3.4Å; I143-L169 HydrophobicContact CG1-CD2 4.37Å
144I97.9Very high95.9Very high35 Ų3545 Ų4518%0.17923%0.227CC..EExtended strand (participates in β ladder)trans-93.3110.8160.2-56.3-55.3000107.1H131 R132 F151 L152 Q153H131-I144 WeakPolarHBondContact CA-O 3.5Å; H131-I144 HydrophobicContact CB-CG2 4.45Å; H131-I144 WeakPolarHBondContact CB-O 3.31Å; H131-I144 PolarHBondContact N-O 2.86Å; R132-I144 HydrophobicContact CB-CB 4.15Å; R132-I144 HydrophobicContact CB-CG1 4.21Å; R132-I144 PolarHBondContact N-O 2.9Å; R132-I144 PolarHBondContact O-N 3.23Å; I144-F151 HydrophobicContact CG2-CB 4.02Å; I144-F151 HydrophobicContact CG2-CD1 3.85Å; I144-F151 HydrophobicContact CG2-CG 4.34Å; I144-L152 CarbonylContact C-O 3.55Å; I144-L152 WeakPolarHBondContact CA-O 3.09Å; I144-Q153 HydrophobicContact CD1-CB 3.89Å; I144-Q153 HydrophobicContact CD1-CG 4.23Å
145L98.2Very high96Very high0 Ų038.9 Ų38.90%021%0.206CC..EExtended strand (participates in β ladder)trans-88.8142.7178.1-161.970.5000109.9V126 I143 F151 L152 V175 V177V126-L145 HydrophobicContact CB-CD2 4.15Å; V126-L145 HydrophobicContact CG1-CD2 3.68Å; I143-L145 HydrophobicContact CG2-CB 4.48Å; L145-F151 CarbonylContact O-C 3.58Å; L145-F151 WeakPolarHBondContact O-CA 3.31Å; L145-L152 HydrophobicContact CB-CB 4.45Å; L145-L152 PolarHBondContact N-O 3.4Å; L145-L152 PolarHBondContact O-N 2.84Å; L145-V175 HydrophobicContact CD1-CG2 3.41Å; L145-V175 VanDerWaalsContact CD1-CG2 3.41Å; L145-V177 HydrophobicContact CD2-CG2 4.47Å
146R98.2Very high96.1Very high24 Ų2433.4 Ų33.49%0.09119%0.185CC..EExtended strand (participates in β ladder)trans-127.5131.4175-179.3-171.571.4-132.8-11.8108.6G128 W129 H131 F151 E172 R234G128-R146 CarbonylContact C-O 3.44Å; G128-R146 WeakPolarHBondContact CA-O 3.46Å; W129-R146 PolarHBondContact N-O 3.28Å; W129-R146 PolarHBondContact O-N 2.94Å; H131-R146 HydrophobicContact CB-CB 4.05Å; H131-R146 PolarHBondContact ND1-NH1 3.39Å; R146-F151 HydrophobicContact CB-CD1 3.84Å; R146-F151 HydrophobicContact CB-CE1 3.74Å; R146-F151 HydrophobicContact CG-CD1 4.13Å; R146-F151 HydrophobicContact CG-CE1 3.68Å; R146-F151 HydrophobicContact CG-CZ 4.18Å; R146-E172 IonicContact CZ-OE1 3.16Å; R146-E172 IonicContact CZ-OE2 3.22Å; R146-E172 IonicContact NH1-OE1 2.8Å; R146-E172 PolarHBondContact NH1-OE1 3.06Å; R146-E172 IonicContact NH1-OE2 3.6Å; R146-E172 IonicContact NH2-OE1 2.73Å; R146-E172 PolarHBondContact NH2-OE1 3.17Å; R146-E172 VanDerWaalsContact NH2-OE1 3.11Å; R146-E172 IonicContact NH2-OE2 3.54Å; R146-E172 PolarHBondContact NH2-OE2 2.98Å; R146-R234 PolarHBondContact NH1-O 2.75Å
147D97.7Very high96.2Very high7 Ų729.5 Ų29.54%0.03717%0.172CC..  trans-126.46.4-179.278.2-18.2000114.3K112 I113 Y127 T149 G150K112-D147 WeakPolarHBondContact CA-OD2 3.23Å; K112-D147 WeakPolarHBondContact CD-OD2 3.48Å; I113-D147 HydrophobicContact CD1-CB 3.92Å; I113-D147 HydrophobicContact CG1-CB 4.22Å; I113-D147 PolarHBondContact N-OD2 3.08Å; Y127-D147 VanDerWaalsContact O-CB 3.29Å; Y127-D147 WeakPolarHBondContact O-CB 3.48Å; D147-T149 VanDerWaalsContact CG-OG1 3.28Å; D147-T149 WeakPolarHBondContact OD1-CA 3.25Å; D147-T149 WeakPolarHBondContact OD1-CB 3.48Å; D147-T149 PolarHBondContact OD1-N 3.31Å; D147-T149 PolarHBondContact OD1-OG1 3.36Å; D147-T149 PolarHBondContact OD2-OG1 2.84Å; D147-T149 VanDerWaalsContact OD2-OG1 3.09Å; D147-G150 PolarHBondContact OD1-N 2.98Å
148G95.6Very high96.2Very high36 Ų3631.7 Ų31.737%0.37118%0.179SC..SBendtrans86.9-0.4-173.900000114.4R243G148-R243 PolarHBondContact O-NH1 3.12Å; G148-R243 PolarHBondContact O-NH2 3.24Å
149T94.9Very high96.2Very high41 Ų4131.6 Ų31.625%0.25218%0.184SC..SBendtrans-119.4-16.2174.873.20000113.3K112 I113 R114 D147K112-T149 HydrophobicContact CB-CG2 4.04Å; K112-T149 HydrophobicContact CD-CG2 4.08Å; K112-T149 HydrophobicContact CG-CG2 4.16Å; I113-T149 PolarHBondContact N-OG1 3.25Å; R114-T149 HydrophobicContact CG-CG2 4.18Å; R114-T149 PolarHBondContact N-OG1 2.94Å; D147-T149 VanDerWaalsContact CG-OG1 3.28Å; D147-T149 WeakPolarHBondContact OD1-CA 3.25Å; D147-T149 WeakPolarHBondContact OD1-CB 3.48Å; D147-T149 PolarHBondContact OD1-N 3.31Å; D147-T149 PolarHBondContact OD1-OG1 3.36Å; D147-T149 PolarHBondContact OD2-OG1 2.84Å; D147-T149 VanDerWaalsContact OD2-OG1 3.09Å
150G94.3Very high96.2Very high24 Ų2429.5 Ų29.525%0.24717%0.171CC..  trans-179.9-165.4171.800000111.9I113 D147I113-G150 WeakPolarHBondContact CD1-O 3.48Å; D147-G150 PolarHBondContact OD1-N 2.98Å
151F96.5Very high96.1Very high45 Ų4528 Ų2820%0.19716%0.164CC..EExtended strand (participates in β ladder)trans-116.7148167.5-65.1-84.8000109.6I113 H131 I144 L145 R146 P191 E236I113-F151 WeakPolarHBondContact CG2-O 3.37Å; H131-F151 HydrophobicContact CB-CD1 4.33Å; H131-F151 HydrophobicContact CB-CE1 4.09Å; H131-F151 AromaticContact CD2-CD1 3.95Å; H131-F151 AromaticContact CD2-CE1 3.37Å; H131-F151 WeakPolarHBondContact CD2-CE1 3.27Å; H131-F151 AromaticContact CG-CE1 3.63Å; H131-F151 AromaticContact NE2-CE1 3.88Å; I144-F151 HydrophobicContact CG2-CB 4.02Å; I144-F151 HydrophobicContact CG2-CD1 3.85Å; I144-F151 HydrophobicContact CG2-CG 4.34Å; L145-F151 CarbonylContact O-C 3.58Å; L145-F151 WeakPolarHBondContact O-CA 3.31Å; R146-F151 HydrophobicContact CB-CD1 3.84Å; R146-F151 HydrophobicContact CB-CE1 3.74Å; R146-F151 HydrophobicContact CG-CD1 4.13Å; R146-F151 HydrophobicContact CG-CE1 3.68Å; R146-F151 HydrophobicContact CG-CZ 4.18Å; F151-P191 HydrophobicContact CB-CB 3.83Å; F151-P191 HydrophobicContact CB-CG 3.8Å; F151-P191 WeakPolarHBondContact O-CB 3.4Å; F151-E236 HydrophobicContact CE2-CG 3.86Å; F151-E236 HydrophobicContact CZ-CB 4.1Å; F151-E236 HydrophobicContact CZ-CG 3.92Å
152L97.4Very high95.8Very high0 Ų030.7 Ų30.70%018%0.178CC..EExtended strand (participates in β ladder)trans-137.5130.1179.6174.565.3000109.7I113 L116 V126 I144 L145 I194 L196I113-L152 HydrophobicContact CD1-CB 3.83Å; I113-L152 HydrophobicContact CG1-CB 4Å; I113-L152 HydrophobicContact CG1-CD2 4.48Å; I113-L152 HydrophobicContact CG2-CB 4.15Å; L116-L152 HydrophobicContact CD1-CD1 3.72Å; L116-L152 HydrophobicContact CD1-CD2 3.55Å; L116-L152 HydrophobicContact CD1-CG 4.12Å; V126-L152 HydrophobicContact CB-CD2 4.47Å; V126-L152 HydrophobicContact CG1-CD2 4.34Å; V126-L152 HydrophobicContact CG2-CD2 4.18Å; I144-L152 CarbonylContact C-O 3.55Å; I144-L152 WeakPolarHBondContact CA-O 3.09Å; L145-L152 HydrophobicContact CB-CB 4.45Å; L145-L152 PolarHBondContact N-O 3.4Å; L145-L152 PolarHBondContact O-N 2.84Å; L152-I194 HydrophobicContact CD1-CD1 4.24Å; L152-I194 HydrophobicContact CD1-CG1 4.15Å; L152-L196 HydrophobicContact CD1-CB 4.34Å; L152-L196 HydrophobicContact CD2-CB 3.95Å; L152-L196 HydrophobicContact CD2-CD2 4.13Å; L152-L196 HydrophobicContact CG-CB 4.28Å
153Q97.7Very high95.5Very high30 Ų3029.8 Ų29.814%0.1418%0.175CC..EExtended strand (participates in β ladder)trans-78.9123.7167.4177.9170.5-78.900109.7I143 I144 V155 A190 E195 L196I143-Q153 CarbonylContact O-C 3.5Å; I143-Q153 WeakPolarHBondContact O-CA 3.37Å; I144-Q153 HydrophobicContact CD1-CB 3.89Å; I144-Q153 HydrophobicContact CD1-CG 4.23Å; Q153-V155 HydrophobicContact CG-CG2 4.39Å; Q153-A190 HydrophobicContact CB-CB 3.87Å; Q153-E195 HydrophobicContact CB-CB 4.31Å; Q153-E195 HydrophobicContact CG-CB 4.36Å; Q153-E195 PolarHBondContact NE2-OE2 2.87Å; Q153-E195 CarbonylContact O-C 3.6Å; Q153-E195 VanDerWaalsContact O-CA 3.28Å; Q153-E195 WeakPolarHBondContact O-CA 3.3Å; Q153-L196 PolarHBondContact O-N 3.26Å
154C97.8Very high95.1Very high0 Ų033.1 Ų33.10%019%0.19CC..EExtended strand (participates in β ladder)trans-111.4132.9172-57.60000109.4F142 I143 F156 V177 L196F142-C154 WeakPolarHBondContact CA-O 3.32Å; I143-C154 HydrophobicContact CB-CB 4.37Å; I143-C154 PolarHBondContact N-O 3.36Å; I143-C154 PolarHBondContact O-N 3.43Å; C154-F156 HydrophobicContact CB-CD2 4.42Å; C154-F156 HydrophobicContact CB-CE2 3.49Å; C154-F156 VanDerWaalsContact CB-CE2 3.49Å; C154-F156 HydrophobicContact CB-CZ 3.98Å; C154-V177 HydrophobicContact CB-CG1 4.46Å; C154-L196 CarbonylContact C-O 3.5Å; C154-L196 VanDerWaalsContact CA-O 3.31Å; C154-L196 WeakPolarHBondContact CA-O 3.33Å
155V97.1Very high94.8Very high16 Ų1634.2 Ų34.210%0.09720%0.196CC..EExtended strand (participates in β ladder)trans-112.1122.1-179.1-172.60000109.2L140 F142 Q153 L196 A198L140-V155 HydrophobicContact CD1-CG1 3.96Å; F142-V155 HydrophobicContact CD1-CG1 4.34Å; F142-V155 HydrophobicContact CD1-CG2 3.91Å; F142-V155 HydrophobicContact CE1-CB 4.47Å; F142-V155 HydrophobicContact CE1-CG1 3.92Å; F142-V155 HydrophobicContact CE1-CG2 3.87Å; F142-V155 HydrophobicContact CZ-CG1 4.43Å; Q153-V155 HydrophobicContact CG-CG2 4.39Å; V155-L196 PolarHBondContact N-O 2.96Å; V155-A198 WeakPolarHBondContact O-CB 3.32Å; V155-A198 PolarHBondContact O-N 2.99Å
156F96.9Very high94.5Very high0 Ų034.3 Ų34.30%020%0.197CC..EExtended strand (participates in β ladder)trans-113.2132.7179.3-59.3-100.1000108.9L140 M141 I143 C154 L160 C161 V177 A198 W201L140-F156 WeakPolarHBondContact CA-O 3.3Å; M141-F156 HydrophobicContact CB-CB 4.26Å; M141-F156 HydrophobicContact CE-CB 4.08Å; M141-F156 HydrophobicContact CE-CD1 4.33Å; M141-F156 HydrophobicContact CE-CD2 4Å; M141-F156 HydrophobicContact CE-CG 3.87Å; M141-F156 PolarHBondContact N-O 3.23Å; M141-F156 PolarHBondContact O-N 3.26Å; I143-F156 HydrophobicContact CB-CE2 3.89Å; I143-F156 HydrophobicContact CD1-CD2 4.13Å; I143-F156 HydrophobicContact CD1-CE2 3.48Å; I143-F156 VanDerWaalsContact CD1-CE2 3.48Å; I143-F156 HydrophobicContact CD1-CZ 3.82Å; I143-F156 HydrophobicContact CG1-CD2 4.2Å; I143-F156 HydrophobicContact CG1-CE2 3.74Å; C154-F156 HydrophobicContact CB-CD2 4.42Å; C154-F156 HydrophobicContact CB-CE2 3.49Å; C154-F156 VanDerWaalsContact CB-CE2 3.49Å; C154-F156 HydrophobicContact CB-CZ 3.98Å; F156-L160 HydrophobicContact CB-CB 4.19Å; F156-L160 HydrophobicContact CD1-CB 4.22Å; F156-L160 HydrophobicContact CD1-CD1 4.25Å; F156-C161 VanDerWaalsContact C-SG 3.56Å; F156-C161 PolarHBondContact O-SG 3.25Å; F156-V177 HydrophobicContact CE1-CG1 3.92Å; F156-V177 HydrophobicContact CZ-CB 4.47Å; F156-V177 HydrophobicContact CZ-CG1 3.64Å; F156-V177 HydrophobicContact CZ-CG2 3.92Å; F156-A198 HydrophobicContact CD1-CB 3.57Å; F156-A198 HydrophobicContact CE1-CB 3.55Å; F156-A198 HydrophobicContact CG-CB 4.09Å; F156-A198 HydrophobicContact CZ-CB 4.07Å; F156-W201 AromaticContact CD1-CD1 3.51Å; F156-W201 HydrophobicContact CD1-CD2 4.39Å; F156-W201 AromaticContact CD1-CG 3.97Å; F156-W201 HydrophobicContact CD1-CG 3.97Å; F156-W201 AromaticContact CD1-NE1 3.67Å; F156-W201 HydrophobicContact CE1-CB 3.76Å; F156-W201 AromaticContact CE1-CD1 3.43Å; F156-W201 VanDerWaalsContact CE1-CD1 3.43Å; F156-W201 AromaticContact CE1-CD2 3.9Å; F156-W201 HydrophobicContact CE1-CD2 3.9Å; F156-W201 AromaticContact CE1-CG 3.41Å; F156-W201 HydrophobicContact CE1-CG 3.41Å; F156-W201 VanDerWaalsContact CE1-CG 3.41Å; F156-W201 AromaticContact CE1-NE1 3.9Å; F156-W201 HydrophobicContact CZ-CG 4.42Å
157S95.3Very high94.2Very high45 Ų4535.9 Ų35.932%0.31521%0.207SC..EExtended strand (participates in β ladder)trans-129.9153.1-176.3-60.80000111.7T139 N159 L160T139-S157 CarbonylContact O-C 3.51Å; T139-S157 VanDerWaalsContact O-CA 3.24Å; T139-S157 WeakPolarHBondContact O-CA 3.41Å; S157-N159 PolarHBondContact O-N 3.29Å; S157-L160 PolarHBondContact O-N 3.02Å
158N92.8Very high93.9Very high104 Ų10438.3 Ų38.356%0.55622%0.222SC*.G310 helixtrans53.4-124.7171-53.7-37.9000112.1T139 L160 C161T139-N158 PolarHBondContact O-N 2.96Å; N158-L160 PolarHBondContact O-N 2.73Å; N158-L160 VanDerWaalsContact O-N 3.08Å; N158-C161 WeakPolarHBondContact O-CB 3.25Å; N158-C161 PolarHBondContact O-N 2.95Å
159N91.5Very high93.9Very high121 Ų12136.9 Ų36.965%0.64721%0.206SC*.G310 helixtrans-55.4-29-175.4-64.2-6.1000113.4S157 C161 L162S157-N159 PolarHBondContact O-N 3.29Å; N159-C161 PolarHBondContact O-N 3.49Å; N159-L162 PolarHBondContact O-N 3.04Å
160L93.7Very high94Very high18 Ų1835.3 Ų35.39%0.09420%0.197CC..G310 helixtrans-65.4-17.7177.4-58.1-175.3000113.4L99 F156 S157 N158 A198 W201L99-L160 HydrophobicContact CD1-CD2 4.11Å; L99-L160 HydrophobicContact CD2-CD2 3.75Å; F156-L160 HydrophobicContact CB-CB 4.19Å; F156-L160 HydrophobicContact CD1-CB 4.22Å; F156-L160 HydrophobicContact CD1-CD1 4.25Å; S157-L160 PolarHBondContact O-N 3.02Å; N158-L160 PolarHBondContact O-N 2.73Å; N158-L160 VanDerWaalsContact O-N 3.08Å; L160-A198 HydrophobicContact CD1-CB 3.9Å; L160-A198 WeakPolarHBondContact CD1-O 3.45Å; L160-W201 PolarHBondContact O-NE1 3.01Å
161C93.8Very high94.2Very high12 Ų1236.1 Ų36.18%0.08120%0.197CC..G310 helixtrans-100.9-8.8-179.5-60.80000113.8K138 F156 N158 N159 A166K138-C161 VanDerWaalsContact O-CB 3.29Å; K138-C161 WeakPolarHBondContact O-CB 3.39Å; F156-C161 VanDerWaalsContact C-SG 3.56Å; F156-C161 PolarHBondContact O-SG 3.25Å; N158-C161 WeakPolarHBondContact O-CB 3.25Å; N158-C161 PolarHBondContact O-N 2.95Å; N159-C161 PolarHBondContact O-N 3.49Å; C161-A166 VanDerWaalsContact O-CB 3.26Å; C161-A166 WeakPolarHBondContact O-CB 3.36Å
162L90.4Very high94.3Very high59 Ų5934.9 Ų34.931%0.30919%0.192SC..SBendtrans-101.1-2.5-170.5-60.1178000113.5K138 N159K138-L162 WeakPolarHBondContact O-CD2 3.15Å; N159-L162 PolarHBondContact O-N 3.04Å
163T89.3Confident94.3Very high9 Ų934.9 Ų34.96%0.05519%0.192CC..SBendtrans-76.5157177.965.90000111.7L99 D165 A166 I167L99-T163 HydrophobicContact CD1-CG2 4.01Å; L99-T163 HydrophobicContact CD2-CG2 3.88Å; L99-T163 HydrophobicContact CG-CG2 3.63Å; T163-D165 PolarHBondContact O-N 2.87Å; T163-A166 WeakPolarHBondContact O-CB 3.43Å; T163-A166 PolarHBondContact O-N 2.94Å; T163-A166 WeakPolarHBondContact OG1-CB 3.42Å; T163-A166 PolarHBondContact OG1-N 3.14Å; T163-A166 VanDerWaalsContact OG1-N 3.11Å; T163-I167 WeakPolarHBondContact O-CG1 3.23Å; T163-I167 PolarHBondContact O-N 3.4Å
164Q89.9Confident94.4Very high70 Ų7035.1 Ų35.133%0.32720%0.196SC..Hα-helixtrans-54.3-38.3173.3-177.859.213.800112.6L91 I167 T168L91-Q164 VanDerWaalsContact CD2-CD 3.42Å; Q164-I167 PolarHBondContact O-N 2.94Å; Q164-T168 WeakPolarHBondContact O-CB 3.16Å; Q164-T168 WeakPolarHBondContact O-CG2 3.43Å; Q164-T168 PolarHBondContact O-N 3.34Å; Q164-T168 PolarHBondContact O-OG1 2.9Å
165D92.5Very high94.4Very high57 Ų5735.1 Ų35.131%0.30520%0.196SC..Hα-helixtrans-67.6-39.7175.4-78.7-17.7000112.1T163 I167 T168 L169 W201 I203 K206T163-D165 PolarHBondContact O-N 2.87Å; D165-I167 VanDerWaalsContact C-N 3.32Å; D165-I167 PolarHBondContact O-N 2.78Å; D165-T168 PolarHBondContact O-N 2.65Å; D165-L169 VanDerWaalsContact O-CB 3.31Å; D165-L169 WeakPolarHBondContact O-CB 3.28Å; D165-L169 PolarHBondContact O-N 2.99Å; D165-W201 HydrophobicContact CB-CH2 4.21Å; D165-I203 HydrophobicContact CB-CD1 3.6Å; D165-I203 HydrophobicContact CB-CG1 4.08Å; D165-K206 VanDerWaalsContact OD1-CE 3.27Å; D165-K206 WeakPolarHBondContact OD1-CE 3.04Å; D165-K206 IonicContact OD1-NZ 3.85Å; D165-K206 PolarHBondContact OD1-NZ 2.99Å
166A92.1Very high94.4Very high2 Ų236.5 Ų36.52%0.01720%0.201CC..Hα-helixtrans-61.1-40.8174.500000112.6R135 C161 T163 W201R135-A166 PolarHBondContact NE-O 3.5Å; R135-A166 PolarHBondContact NH2-O 3.11Å; C161-A166 VanDerWaalsContact O-CB 3.26Å; C161-A166 WeakPolarHBondContact O-CB 3.36Å; T163-A166 WeakPolarHBondContact O-CB 3.43Å; T163-A166 PolarHBondContact O-N 2.94Å; T163-A166 WeakPolarHBondContact OG1-CB 3.42Å; T163-A166 PolarHBondContact OG1-N 3.14Å; T163-A166 VanDerWaalsContact OG1-N 3.11Å; A166-W201 HydrophobicContact CB-CH2 4.4Å; A166-W201 HydrophobicContact CB-CZ2 3.75Å
167I90.5Very high94.5Very high58 Ų5836.5 Ų36.530%0.29720%0.201SC..Hα-helixtrans-69.5-43.8179.8-64.6166.8000110.2A94 R135 T163 Q164 D165A94-I167 HydrophobicContact CB-CD1 3.78Å; R135-I167 PolarHBondContact NH2-O 2.85Å; T163-I167 WeakPolarHBondContact O-CG1 3.23Å; T163-I167 PolarHBondContact O-N 3.4Å; Q164-I167 PolarHBondContact O-N 2.94Å; D165-I167 VanDerWaalsContact C-N 3.32Å; D165-I167 PolarHBondContact O-N 2.78Å
168T92.3Very high94.6Very high58 Ų5836 Ų3636%0.35619%0.193SC..Hα-helixtrans-87.6-3.9-175.959.30000114.9Q164 D165 S170 K206Q164-T168 WeakPolarHBondContact O-CB 3.16Å; Q164-T168 WeakPolarHBondContact O-CG2 3.43Å; Q164-T168 PolarHBondContact O-N 3.34Å; Q164-T168 PolarHBondContact O-OG1 2.9Å; D165-T168 PolarHBondContact O-N 2.65Å; T168-S170 PolarHBondContact O-N 3.32Å; T168-K206 PolarHBondContact OG1-NZ 2.92Å
169L96.1Very high94.8Very high6 Ų631.1 Ų31.13%0.03117%0.166CC..  trans-60.6126.3-179-173.168.8000111.9V130 I133 R135 M141 I143 D165 V175 W201 I203V130-L169 HydrophobicContact CG2-CD1 4.25Å; V130-L169 HydrophobicContact CG2-CD2 4.29Å; I133-L169 HydrophobicContact CD1-CB 4.36Å; I133-L169 HydrophobicContact CD1-CD2 4.04Å; I133-L169 HydrophobicContact CD1-CG 3.79Å; I133-L169 WeakPolarHBondContact CD1-O 3.44Å; R135-L169 PolarHBondContact NH2-O 3.06Å; M141-L169 HydrophobicContact CE-CD2 4.31Å; M141-L169 HydrophobicContact SD-CD2 4.32Å; I143-L169 HydrophobicContact CD1-CD2 3.4Å; I143-L169 HydrophobicContact CG1-CD2 4.37Å; D165-L169 VanDerWaalsContact O-CB 3.31Å; D165-L169 WeakPolarHBondContact O-CB 3.28Å; D165-L169 PolarHBondContact O-N 2.99Å; L169-V175 HydrophobicContact CD1-CG1 3.95Å; L169-W201 HydrophobicContact CB-CH2 4.35Å; L169-W201 HydrophobicContact CD1-CH2 4.44Å; L169-W201 HydrophobicContact CD1-CZ3 4.09Å; L169-W201 HydrophobicContact CD2-CH2 4Å; L169-W201 HydrophobicContact CD2-CZ3 3.99Å; L169-I203 HydrophobicContact CB-CD1 4.48Å; L169-I203 HydrophobicContact CD1-CD1 3.67Å; L169-I203 HydrophobicContact CD1-CG1 3.89Å
170S96.9Very high95Very high8 Ų827.3 Ų27.36%0.05615%0.148CC..  trans-114.1153.5178.758.20000111.6I133 T168 S173 A207 P208I133-S170 VanDerWaalsContact CD1-C 3.45Å; T168-S170 PolarHBondContact O-N 3.32Å; S170-S173 VanDerWaalsContact O-CB 3.25Å; S170-S173 WeakPolarHBondContact O-CB 3.26Å; S170-S173 PolarHBondContact O-N 2.79Å; S170-S173 PolarHBondContact O-OG 3.04Å; S170-S173 PolarHBondContact OG-OG 2.92Å; S170-A207 VanDerWaalsContact OG-C 3.31Å; S170-A207 PolarHBondContact OG-O 3.45Å; S170-P208 WeakPolarHBondContact CB-O 3.4Å; S170-P208 PolarHBondContact OG-O 3.22Å
171P97.4Very high95.1Very high41 Ų4126.5 Ų26.527%0.26614%0.143SC..THydrogen-bonded Turntrans-53.5149.4168.6-23.734.5000111.7V130 I133 S173 A207 G211V130-P171 CarbonylContact O-C 3.57Å; V130-P171 WeakPolarHBondContact O-CA 3.47Å; I133-P171 HydrophobicContact CD1-CG 4.31Å; I133-P171 HydrophobicContact CG1-CG 4.46Å; P171-S173 PolarHBondContact O-N 3.32Å; P171-A207 VanDerWaalsContact O-CB 3.31Å; P171-A207 WeakPolarHBondContact O-CB 3.42Å; P171-G211 WeakPolarHBondContact O-CA 3.47Å
172E98.2Very high95.2Very high18 Ų1830.2 Ų30.28%0.08416%0.158CC..THydrogen-bonded Turntrans66.91.1-173.5-60.3-68.5137.700116.4V130 R146 A207 I212 R234V130-E172 PolarHBondContact O-N 2.87Å; R146-E172 IonicContact CZ-OE1 3.16Å; R146-E172 IonicContact CZ-OE2 3.22Å; R146-E172 IonicContact NH1-OE1 2.8Å; R146-E172 PolarHBondContact NH1-OE1 3.06Å; R146-E172 IonicContact NH1-OE2 3.6Å; R146-E172 IonicContact NH2-OE1 2.73Å; R146-E172 PolarHBondContact NH2-OE1 3.17Å; R146-E172 VanDerWaalsContact NH2-OE1 3.11Å; R146-E172 IonicContact NH2-OE2 3.54Å; R146-E172 PolarHBondContact NH2-OE2 2.98Å; E172-A207 HydrophobicContact CB-CB 4.15Å; E172-I212 HydrophobicContact CG-CD1 3.74Å; E172-I212 HydrophobicContact CG-CG1 3.85Å; E172-R234 WeakPolarHBondContact OE2-CD 3.37Å; E172-R234 IonicContact OE2-CZ 2.81Å; E172-R234 IonicContact OE2-NE 3.56Å; E172-R234 IonicContact OE2-NH1 3.46Å; E172-R234 PolarHBondContact OE2-NH1 3.25Å
173S98.4Very high95.2Very high0 Ų033.9 Ų33.90%017%0.173CC..  trans-60.6148.2165.3-65.50000110.4W129 V130 S170 P171 G205 A207W129-S173 WeakPolarHBondContact CA-O 3.29Å; V130-S173 WeakPolarHBondContact CG2-O 3.4Å; V130-S173 PolarHBondContact N-O 2.85Å; S170-S173 VanDerWaalsContact O-CB 3.25Å; S170-S173 WeakPolarHBondContact O-CB 3.26Å; S170-S173 PolarHBondContact O-N 2.79Å; S170-S173 PolarHBondContact O-OG 3.04Å; S170-S173 PolarHBondContact OG-OG 2.92Å; P171-S173 PolarHBondContact O-N 3.32Å; S173-G205 CarbonylContact C-O 3.59Å; S173-G205 WeakPolarHBondContact CA-O 3.46Å; S173-G205 WeakPolarHBondContact CB-O 3.33Å; S173-A207 PolarHBondContact OG-N 2.99Å
174T98.6Very high95.2Very high35 Ų3534.4 Ų34.422%0.21518%0.176CC..EExtended strand (participates in β ladder)trans-95.3134.6172.647.70000110.4G128 W129 I204 G205G128-T174 WeakPolarHBondContact O-CA 3.43Å; W129-T174 VanDerWaalsContact CD1-CG2 3.45Å; W129-T174 HydrophobicContact CD2-CG2 4.21Å; W129-T174 HydrophobicContact CG-CG2 4.03Å; W129-T174 HydrophobicContact CZ2-CG2 4.46Å; W129-T174 VanDerWaalsContact NE1-CG2 3.26Å; T174-I204 PolarHBondContact O-N 2.73Å; T174-G205 PolarHBondContact N-O 3.12Å; T174-G205 PolarHBondContact O-N 3.11Å; T174-G205 WeakPolarHBondContact OG1-CA 3.47Å; T174-G205 PolarHBondContact OG1-N 2.9Å; T174-G205 PolarHBondContact OG1-O 3.29Å
175V98.3Very high95Very high0 Ų034.9 Ų34.90%019%0.185CC..EExtended strand (participates in β ladder)trans-135.3154-177.5-62.70000110.8G128 V130 L145 L169 V177 W201 A202 I203G128-V175 PolarHBondContact N-O 2.86Å; G128-V175 PolarHBondContact O-N 3Å; V130-V175 HydrophobicContact CG2-CB 4.48Å; V130-V175 HydrophobicContact CG2-CG1 3.8Å; V130-V175 HydrophobicContact CG2-CG2 3.81Å; L145-V175 HydrophobicContact CD1-CG2 3.41Å; L145-V175 VanDerWaalsContact CD1-CG2 3.41Å; L169-V175 HydrophobicContact CD1-CG1 3.95Å; V175-V177 HydrophobicContact CB-CG2 4.37Å; V175-V177 HydrophobicContact CG2-CG2 3.77Å; V175-W201 HydrophobicContact CB-CE3 4.47Å; V175-W201 HydrophobicContact CG1-CE3 4.08Å; V175-W201 HydrophobicContact CG1-CZ3 4.02Å; V175-A202 VanDerWaalsContact CA-O 3.29Å; V175-A202 WeakPolarHBondContact CA-O 3.34Å; V175-I203 HydrophobicContact CG1-CG1 4.28Å
176E97.8Very high94.6Very high45 Ų4538.5 Ų38.521%0.2122%0.215CC..EExtended strand (participates in β ladder)trans-106.4133.3158.360.6-176.8-176.500108.8Y127 Y178 W201 A202 I204Y127-E176 HydrophobicContact CD1-CB 3.82Å; Y127-E176 HydrophobicContact CE1-CB 3.51Å; Y127-E176 HydrophobicContact CE1-CG 4.4Å; Y127-E176 WeakPolarHBondContact CE1-OE2 3.31Å; Y127-E176 VanDerWaalsContact CZ-OE2 3.26Å; Y127-E176 PolarHBondContact OH-OE2 3.04Å; E176-Y178 HydrophobicContact CB-CE2 4.47Å; E176-Y178 HydrophobicContact CG-CE2 4.07Å; E176-W201 WeakPolarHBondContact O-CA 3.28Å; E176-W201 VanDerWaalsContact O-CB 3.23Å; E176-W201 WeakPolarHBondContact O-CB 3.35Å; E176-A202 HydrophobicContact CG-CB 3.97Å; E176-A202 PolarHBondContact N-O 2.89Å; E176-A202 PolarHBondContact O-N 2.74Å; E176-I204 HydrophobicContact CB-CD1 4.23Å
177V97.8Very high94.4Very high0 Ų042.2 Ų42.20%025%0.254CS..EExtended strand (participates in β ladder)trans-126.6124.1-177.4-170.90000109.2C125 V126 L145 C154 F156 V175 L196 A198 W201C125-V177 WeakPolarHBondContact CA-O 3.33Å; V126-V177 PolarHBondContact N-O 3.38Å; V126-V177 PolarHBondContact O-N 2.77Å; L145-V177 HydrophobicContact CD2-CG2 4.47Å; C154-V177 HydrophobicContact CB-CG1 4.46Å; F156-V177 HydrophobicContact CE1-CG1 3.92Å; F156-V177 HydrophobicContact CZ-CB 4.47Å; F156-V177 HydrophobicContact CZ-CG1 3.64Å; F156-V177 HydrophobicContact CZ-CG2 3.92Å; V175-V177 HydrophobicContact CB-CG2 4.37Å; V175-V177 HydrophobicContact CG2-CG2 3.77Å; V177-L196 HydrophobicContact CB-CD2 4.06Å; V177-L196 HydrophobicContact CG1-CD2 3.62Å; V177-A198 HydrophobicContact CG1-CB 3.91Å; V177-W201 HydrophobicContact CG1-CB 4.45Å; V177-W201 HydrophobicContact CG2-CB 4.37Å
178Y97.9Very high94.3Very high36 Ų3646.7 Ų46.714%0.14127%0.271CS..EExtended strand (participates in β ladder)trans-100.9137.4173.3-62.6-103.7000108.9L101 A108 V124 C125 E176 A198 D199 G200L101-Y178 HydrophobicContact CD1-CD1 4.44Å; L101-Y178 HydrophobicContact CD1-CD2 4.42Å; L101-Y178 HydrophobicContact CD1-CE1 3.94Å; L101-Y178 HydrophobicContact CD1-CE2 3.92Å; L101-Y178 HydrophobicContact CD2-CD1 4.14Å; L101-Y178 HydrophobicContact CD2-CD2 3.56Å; L101-Y178 HydrophobicContact CD2-CE1 4.41Å; L101-Y178 HydrophobicContact CD2-CE2 3.88Å; L101-Y178 HydrophobicContact CD2-CG 3.71Å; A108-Y178 HydrophobicContact CB-CD1 3.56Å; A108-Y178 HydrophobicContact CB-CE1 4Å; V124-Y178 WeakPolarHBondContact O-CA 3.4Å; C125-Y178 HydrophobicContact CB-CD1 3.88Å; C125-Y178 HydrophobicContact CB-CE1 3.74Å; C125-Y178 HydrophobicContact CB-CG 4.45Å; E176-Y178 HydrophobicContact CB-CE2 4.47Å; E176-Y178 HydrophobicContact CG-CE2 4.07Å; Y178-A198 CarbonylContact O-C 3.58Å; Y178-A198 VanDerWaalsContact O-CA 3.25Å; Y178-A198 WeakPolarHBondContact O-CA 3.35Å; Y178-D199 WeakPolarHBondContact CB-OD1 3.35Å; Y178-D199 PolarHBondContact O-N 3.16Å; Y178-G200 WeakPolarHBondContact CA-O 3.35Å; Y178-G200 WeakPolarHBondContact CB-O 3.41Å; Y178-G200 PolarHBondContact N-O 3.32Å; Y178-G200 PolarHBondContact O-N 2.99Å; Y178-G200 VanDerWaalsContact O-O 3.1Å
179G96.9Very high94.1Very high0 Ų049.3 Ų49.30%029%0.291CS..EExtended strand (participates in β ladder)trans176.8178.2-179.600000113.7R123 V124 L196 V197 D199R123-G179 CarbonylContact C-O 3.52Å; R123-G179 VanDerWaalsContact CA-O 3.3Å; R123-G179 WeakPolarHBondContact CA-O 3.22Å; V124-G179 PolarHBondContact N-O 3.24Å; V124-G179 PolarHBondContact O-N 2.9Å; V124-G179 VanDerWaalsContact O-N 3.12Å; G179-L196 VanDerWaalsContact C-CD1 3.41Å; G179-L196 WeakPolarHBondContact O-CD1 3.36Å; G179-V197 CarbonylContact C-O 3.23Å; G179-V197 WeakPolarHBondContact CA-O 3.38Å; G179-D199 WeakPolarHBondContact CA-OD2 3.49Å
180V96.8Very high93.7Very high42 Ų4249.9 Ų49.926%0.25530%0.297SS..EExtended strand (participates in β ladder)trans-101.3128.5176.4179.70000110.2Q122 R123 K182 V197Q122-V180 WeakPolarHBondContact O-CA 3.39Å; R123-V180 HydrophobicContact CB-CG2 4.38Å; V180-K182 HydrophobicContact CG1-CG 4.46Å; V180-V197 PolarHBondContact N-O 3.16Å; V180-V197 PolarHBondContact O-N 2.85Å
181V96.3Very high93.1Very high0 Ų052 Ų520%031%0.31CS..EExtended strand (participates in β ladder)trans-73.7127.8175.5-174.40000109.7L116 Y120 H121 Q122 V124 I194 L196L116-V181 HydrophobicContact CD2-CG2 3.8Å; Y120-V181 HydrophobicContact CD1-CG1 4.42Å; H121-V181 WeakPolarHBondContact CA-O 3.46Å; H121-V181 PolarHBondContact N-O 2.91Å; Q122-V181 PolarHBondContact O-N 3.11Å; V124-V181 HydrophobicContact CB-CG2 4.49Å; V124-V181 HydrophobicContact CG1-CG2 4.06Å; V124-V181 HydrophobicContact CG2-CG2 3.59Å; V181-I194 HydrophobicContact CG1-CB 4.38Å; V181-I194 HydrophobicContact CG1-CD1 4.17Å; V181-L196 HydrophobicContact CG2-CD1 4.07Å
182K94.5Very high92.6Very high90 Ų9052.3 Ų52.339%0.39132%0.322SS..EExtended strand (participates in β ladder)trans-127.7147.9177.1-62.2-169.1-174.1178.60111V180 I194 E195 V197V180-K182 HydrophobicContact CG1-CG 4.46Å; K182-I194 CarbonylContact O-C 3.59Å; K182-I194 WeakPolarHBondContact O-CA 3.44Å; K182-E195 HydrophobicContact CB-CG 4.47Å; K182-E195 PolarHBondContact N-O 3.45Å; K182-E195 PolarHBondContact O-N 3.2Å; K182-V197 HydrophobicContact CD-CG2 3.74Å; K182-V197 HydrophobicContact CG-CG2 4.23Å
183Q91.8Very high92.3Very high136 Ų13653.2 Ų53.264%0.63634%0.335SS*.EExtended strand (participates in β ladder)trans-71.2143.2166.2-169.9173.710.300109.5Y120Y120-Q183 HydrophobicContact CE1-CB 4.48Å
184L89Confident92Very high21 Ų2153.5 Ų53.511%0.1134%0.337CS..PPolyproline II helixtrans-66.8145.1176.4-69.6167.8000111.6K188 A190 G193 E195L184-K188 HydrophobicContact CB-CB 4.34Å; L184-K188 HydrophobicContact CD2-CB 4.49Å; L184-A190 HydrophobicContact CD1-CB 3.48Å; L184-A190 VanDerWaalsContact CD1-CB 3.48Å; L184-A190 HydrophobicContact CD2-CB 4.1Å; L184-A190 HydrophobicContact CG-CB 4.32Å; L184-G193 PolarHBondContact N-O 2.9Å; L184-G193 VanDerWaalsContact N-O 3.12Å; L184-E195 HydrophobicContact CD2-CB 4.05Å; L184-E195 HydrophobicContact CD2-CG 3.99Å
185P84.7Confident91.9Very high80 Ų8053.5 Ų53.552%0.51934%0.335SS..PPolyproline II helixtrans-58.8152.6167.9-21.832.8000112.1G187 K188P185-G187 PolarHBondContact O-N 3.29Å; P185-K188 HydrophobicContact CB-CG 4.36Å; P185-K188 WeakPolarHBondContact O-CB 3.4Å; P185-K188 PolarHBondContact O-N 2.85Å; P185-K188 VanDerWaalsContact O-N 3.11Å
186S84.9Confident91.8Very high132 Ų13253.5 Ų53.592%0.92334%0.335SS*.THydrogen-bonded Turntrans-53134.7174.7-171.70000111.5K188S186-K188 VanDerWaalsContact C-N 3.34Å
187G87.5Confident91.8Very high81 Ų8153.4 Ų53.484%0.83534%0.337SS*.THydrogen-bonded Turntrans82.2-0.5-178.400000115.7P185P185-G187 PolarHBondContact O-N 3.29Å
188K88.5Confident91.8Very high151 Ų15154 Ų5466%0.65734%0.342SS*.  trans-99.8147.3170.7-61-64.7-177.4-178.80110.6L184 P185 S186L184-K188 HydrophobicContact CB-CB 4.34Å; L184-K188 HydrophobicContact CD2-CB 4.49Å; P185-K188 HydrophobicContact CB-CG 4.36Å; P185-K188 WeakPolarHBondContact O-CB 3.4Å; P185-K188 PolarHBondContact O-N 2.85Å; P185-K188 VanDerWaalsContact O-N 3.11Å; S186-K188 VanDerWaalsContact C-N 3.34Å
189S88Confident91.7Very high113 Ų11354.4 Ų54.479%0.7935%0.347SS*.  trans-125.2129.317861.90000110.5
190A87Confident91.6Very high18 Ų1854.6 Ų54.615%0.14935%0.348CS..  trans-147.4161.2166.700000108.4Q153 L184 G192 G193Q153-A190 HydrophobicContact CB-CB 3.87Å; L184-A190 HydrophobicContact CD1-CB 3.48Å; L184-A190 VanDerWaalsContact CD1-CB 3.48Å; L184-A190 HydrophobicContact CD2-CB 4.1Å; L184-A190 HydrophobicContact CG-CB 4.32Å; A190-G192 PolarHBondContact O-N 3.24Å; A190-G193 PolarHBondContact O-N 3.05Å
191P85.6Confident91.6Very high52 Ų5253.1 Ų53.134%0.33834%0.338SS..G310 helixtrans-51129.7179-28.637000112.2F151 G193F151-P191 HydrophobicContact CB-CB 3.83Å; F151-P191 HydrophobicContact CB-CG 3.8Å; F151-P191 WeakPolarHBondContact O-CB 3.4Å; P191-G193 PolarHBondContact O-N 3.43Å
192G85.9Confident91.5Very high49 Ų4954.7 Ų54.751%0.50535%0.351SS..G310 helixtrans722.2-179.500000116A190 I194A190-G192 PolarHBondContact O-N 3.24Å; G192-I194 VanDerWaalsContact C-N 3.26Å; G192-I194 PolarHBondContact O-N 3.46Å
193G91.5Very high91.6Very high36 Ų3651.7 Ų51.737%0.37134%0.339SS..G310 helixtrans74.614.1-17900000114.5L184 A190 P191L184-G193 PolarHBondContact N-O 2.9Å; L184-G193 VanDerWaalsContact N-O 3.12Å; A190-G193 PolarHBondContact O-N 3.05Å; P191-G193 PolarHBondContact O-N 3.43Å
194I93.5Very high91.8Very high7 Ų750 Ų504%0.03633%0.333CS..EExtended strand (participates in β ladder)trans-131.4161-172.665.1175.3000111.9L116 Y120 L152 V181 K182 G192L116-I194 HydrophobicContact CB-CD1 3.56Å; L116-I194 HydrophobicContact CD1-CD1 4.21Å; Y120-I194 HydrophobicContact CD1-CG2 4.49Å; Y120-I194 HydrophobicContact CE1-CG2 3.44Å; Y120-I194 VanDerWaalsContact CE1-CG2 3.44Å; L152-I194 HydrophobicContact CD1-CD1 4.24Å; L152-I194 HydrophobicContact CD1-CG1 4.15Å; V181-I194 HydrophobicContact CG1-CB 4.38Å; V181-I194 HydrophobicContact CG1-CD1 4.17Å; K182-I194 CarbonylContact O-C 3.59Å; K182-I194 WeakPolarHBondContact O-CA 3.44Å; G192-I194 VanDerWaalsContact C-N 3.26Å; G192-I194 PolarHBondContact O-N 3.46Å
195E95.7Very high92.2Very high34 Ų3450.4 Ų50.416%0.15934%0.342CS..EExtended strand (participates in β ladder)trans-138.9155168.764.3-179.8-166.200111.6Q153 K182 L184Q153-E195 HydrophobicContact CB-CB 4.31Å; Q153-E195 HydrophobicContact CG-CB 4.36Å; Q153-E195 PolarHBondContact NE2-OE2 2.87Å; Q153-E195 CarbonylContact O-C 3.6Å; Q153-E195 VanDerWaalsContact O-CA 3.28Å; Q153-E195 WeakPolarHBondContact O-CA 3.3Å; K182-E195 HydrophobicContact CB-CG 4.47Å; K182-E195 PolarHBondContact N-O 3.45Å; K182-E195 PolarHBondContact O-N 3.2Å; L184-E195 HydrophobicContact CD2-CB 4.05Å; L184-E195 HydrophobicContact CD2-CG 3.99Å
196L97.1Very high92.8Very high0 Ų052.5 Ų52.50%034%0.343CS..EExtended strand (participates in β ladder)trans-102.4113.2172.2-17671.9000108.8V124 V126 L152 Q153 C154 V155 V177 G179 V181 A198V124-L196 HydrophobicContact CG2-CD1 3.43Å; V124-L196 VanDerWaalsContact CG2-CD1 3.43Å; V126-L196 HydrophobicContact CG2-CD2 4.42Å; L152-L196 HydrophobicContact CD1-CB 4.34Å; L152-L196 HydrophobicContact CD2-CB 3.95Å; L152-L196 HydrophobicContact CD2-CD2 4.13Å; L152-L196 HydrophobicContact CG-CB 4.28Å; Q153-L196 PolarHBondContact O-N 3.26Å; C154-L196 CarbonylContact C-O 3.5Å; C154-L196 VanDerWaalsContact CA-O 3.31Å; C154-L196 WeakPolarHBondContact CA-O 3.33Å; V155-L196 PolarHBondContact N-O 2.96Å; V177-L196 HydrophobicContact CB-CD2 4.06Å; V177-L196 HydrophobicContact CG1-CD2 3.62Å; G179-L196 VanDerWaalsContact C-CD1 3.41Å; G179-L196 WeakPolarHBondContact O-CD1 3.36Å; V181-L196 HydrophobicContact CG2-CD1 4.07Å; L196-A198 PolarHBondContact O-N 3.13Å
197V96.8Very high93.3Very high43 Ų4347.2 Ų47.226%0.26131%0.308SS..EExtended strand (participates in β ladder)trans-82.8108.1171.9-1780000107.5G179 V180 K182G179-V197 CarbonylContact C-O 3.23Å; G179-V197 WeakPolarHBondContact CA-O 3.38Å; V180-V197 PolarHBondContact N-O 3.16Å; V180-V197 PolarHBondContact O-N 2.85Å; K182-V197 HydrophobicContact CD-CG2 3.74Å; K182-V197 HydrophobicContact CG-CG2 4.23Å
198A97.3Very high93.7Very high12 Ų1248 Ų4810%0.09930%0.298CS..EExtended strand (participates in β ladder)trans-71.9138.5-172.700000111.4V155 F156 L160 V177 Y178 L196V155-A198 WeakPolarHBondContact O-CB 3.32Å; V155-A198 PolarHBondContact O-N 2.99Å; F156-A198 HydrophobicContact CD1-CB 3.57Å; F156-A198 HydrophobicContact CE1-CB 3.55Å; F156-A198 HydrophobicContact CG-CB 4.09Å; F156-A198 HydrophobicContact CZ-CB 4.07Å; L160-A198 HydrophobicContact CD1-CB 3.9Å; L160-A198 WeakPolarHBondContact CD1-O 3.45Å; V177-A198 HydrophobicContact CG1-CB 3.91Å; Y178-A198 CarbonylContact O-C 3.58Å; Y178-A198 VanDerWaalsContact O-CA 3.25Å; Y178-A198 WeakPolarHBondContact O-CA 3.35Å; L196-A198 PolarHBondContact O-N 3.13Å
199D95.6Very high93.9Very high46 Ų4644.8 Ų44.825%0.24630%0.3CS..EExtended strand (participates in β ladder)trans-117.3-14.6171.259.350.3000112.6L105 R123 Y178 G179L105-D199 HydrophobicContact CD1-CB 3.82Å; R123-D199 WeakPolarHBondContact CD-OD2 3.36Å; R123-D199 IonicContact CZ-OD1 3.87Å; R123-D199 IonicContact CZ-OD2 3.39Å; R123-D199 VanDerWaalsContact NE-CG 3.29Å; R123-D199 IonicContact NE-OD1 2.82Å; R123-D199 PolarHBondContact NE-OD1 3.43Å; R123-D199 IonicContact NE-OD2 3.49Å; R123-D199 PolarHBondContact NE-OD2 2.82Å; R123-D199 IonicContact NH2-OD1 3.82Å; R123-D199 PolarHBondContact NH2-OD1 2.9Å; Y178-D199 WeakPolarHBondContact CB-OD1 3.35Å; Y178-D199 PolarHBondContact O-N 3.16Å; G179-D199 WeakPolarHBondContact CA-OD2 3.49Å
200G94.8Very high94.1Very high3 Ų341.3 Ų41.33%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-164.6154.3174.200000110.9Y178Y178-G200 WeakPolarHBondContact CA-O 3.35Å; Y178-G200 WeakPolarHBondContact CB-O 3.41Å; Y178-G200 PolarHBondContact N-O 3.32Å; Y178-G200 PolarHBondContact O-N 2.99Å; Y178-G200 VanDerWaalsContact O-O 3.1Å
201W96.8Very high94.5Very high11 Ų1140.9 Ų40.94%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-164160.3175.369.1-72.7000111.2L99 M141 F156 L160 D165 A166 L169 V175 E176 V177 I203L99-W201 HydrophobicContact CD1-CG 4.33Å; M141-W201 HydrophobicContact CE-CZ2 4.19Å; F156-W201 AromaticContact CD1-CD1 3.51Å; F156-W201 HydrophobicContact CD1-CD2 4.39Å; F156-W201 AromaticContact CD1-CG 3.97Å; F156-W201 HydrophobicContact CD1-CG 3.97Å; F156-W201 AromaticContact CD1-NE1 3.67Å; F156-W201 HydrophobicContact CE1-CB 3.76Å; F156-W201 AromaticContact CE1-CD1 3.43Å; F156-W201 VanDerWaalsContact CE1-CD1 3.43Å; F156-W201 AromaticContact CE1-CD2 3.9Å; F156-W201 HydrophobicContact CE1-CD2 3.9Å; F156-W201 AromaticContact CE1-CG 3.41Å; F156-W201 HydrophobicContact CE1-CG 3.41Å; F156-W201 VanDerWaalsContact CE1-CG 3.41Å; F156-W201 AromaticContact CE1-NE1 3.9Å; F156-W201 HydrophobicContact CZ-CG 4.42Å; L160-W201 PolarHBondContact O-NE1 3.01Å; D165-W201 HydrophobicContact CB-CH2 4.21Å; A166-W201 HydrophobicContact CB-CH2 4.4Å; A166-W201 HydrophobicContact CB-CZ2 3.75Å; L169-W201 HydrophobicContact CB-CH2 4.35Å; L169-W201 HydrophobicContact CD1-CH2 4.44Å; L169-W201 HydrophobicContact CD1-CZ3 4.09Å; L169-W201 HydrophobicContact CD2-CH2 4Å; L169-W201 HydrophobicContact CD2-CZ3 3.99Å; V175-W201 HydrophobicContact CB-CE3 4.47Å; V175-W201 HydrophobicContact CG1-CE3 4.08Å; V175-W201 HydrophobicContact CG1-CZ3 4.02Å; E176-W201 WeakPolarHBondContact O-CA 3.28Å; E176-W201 VanDerWaalsContact O-CB 3.23Å; E176-W201 WeakPolarHBondContact O-CB 3.35Å; V177-W201 HydrophobicContact CG1-CB 4.45Å; V177-W201 HydrophobicContact CG2-CB 4.37Å; W201-I203 HydrophobicContact CE3-CG1 4.39Å; W201-I203 HydrophobicContact CH2-CD1 4.37Å; W201-I203 HydrophobicContact CH2-CG1 4.16Å; W201-I203 HydrophobicContact CZ3-CD1 4.18Å; W201-I203 HydrophobicContact CZ3-CG1 3.53Å
202A95Very high94.9Very high34 Ų3439.7 Ų39.728%0.28127%0.27SS..EExtended strand (participates in β ladder)trans-143149.8173.300000110.9V175 E176V175-A202 VanDerWaalsContact CA-O 3.29Å; V175-A202 WeakPolarHBondContact CA-O 3.34Å; E176-A202 HydrophobicContact CG-CB 3.97Å; E176-A202 PolarHBondContact N-O 2.89Å; E176-A202 PolarHBondContact O-N 2.74Å
203I96Very high95.3Very high27 Ų2743.4 Ų43.414%0.13828%0.278CS..EExtended strand (participates in β ladder)trans-80.1128.5168.3-62.2179.7000108.7D165 L169 V175 W201 K206D165-I203 HydrophobicContact CB-CD1 3.6Å; D165-I203 HydrophobicContact CB-CG1 4.08Å; L169-I203 HydrophobicContact CB-CD1 4.48Å; L169-I203 HydrophobicContact CD1-CD1 3.67Å; L169-I203 HydrophobicContact CD1-CG1 3.89Å; V175-I203 HydrophobicContact CG1-CG1 4.28Å; W201-I203 HydrophobicContact CE3-CG1 4.39Å; W201-I203 HydrophobicContact CH2-CD1 4.37Å; W201-I203 HydrophobicContact CH2-CG1 4.16Å; W201-I203 HydrophobicContact CZ3-CD1 4.18Å; W201-I203 HydrophobicContact CZ3-CG1 3.53Å; I203-K206 HydrophobicContact CD1-CG 4.35Å; I203-K206 HydrophobicContact CG2-CG 3.76Å
204I97.1Very high95.3Very high100 Ų10045 Ų4551%0.51328%0.283SS..EExtended strand (participates in β ladder)trans-89.5-44.4173-56.9168.8000109.6Y127 T174 E176Y127-I204 HydrophobicContact CD1-CD1 3.54Å; Y127-I204 HydrophobicContact CE1-CD1 3.89Å; T174-I204 PolarHBondContact O-N 2.73Å; E176-I204 HydrophobicContact CB-CD1 4.23Å
205G96.9Very high95.3Very high29 Ų2947.8 Ų47.830%0.29930%0.301SS..EExtended strand (participates in β ladder)trans-149.2123.5-179.700000111.5S173 T174S173-G205 CarbonylContact C-O 3.59Å; S173-G205 WeakPolarHBondContact CA-O 3.46Å; S173-G205 WeakPolarHBondContact CB-O 3.33Å; T174-G205 PolarHBondContact N-O 3.12Å; T174-G205 PolarHBondContact O-N 3.11Å; T174-G205 WeakPolarHBondContact OG1-CA 3.47Å; T174-G205 PolarHBondContact OG1-N 2.9Å; T174-G205 PolarHBondContact OG1-O 3.29Å
206K96.4Very high95.2Very high124 Ų12447 Ų4754%0.53930%0.297SS..PPolyproline II helixtrans-75.7136.5177.8-68.1-173.2-179-164.50110.6D165 T168 I203D165-K206 VanDerWaalsContact OD1-CE 3.27Å; D165-K206 WeakPolarHBondContact OD1-CE 3.04Å; D165-K206 IonicContact OD1-NZ 3.85Å; D165-K206 PolarHBondContact OD1-NZ 2.99Å; T168-K206 PolarHBondContact OG1-NZ 2.92Å; I203-K206 HydrophobicContact CD1-CG 4.35Å; I203-K206 HydrophobicContact CG2-CG 3.76Å
207A97.4Very high94.9Very high22 Ų2249.3 Ų49.318%0.18231%0.312CS..PPolyproline II helixtrans-97.315916800000111.1S170 P171 E172 S173S170-A207 VanDerWaalsContact OG-C 3.31Å; S170-A207 PolarHBondContact OG-O 3.45Å; P171-A207 VanDerWaalsContact O-CB 3.31Å; P171-A207 WeakPolarHBondContact O-CB 3.42Å; E172-A207 HydrophobicContact CB-CB 4.15Å; S173-A207 PolarHBondContact OG-N 2.99Å
208P95.5Very high94.3Very high96 Ų9653.8 Ų53.862%0.62334%0.339SS*.PPolyproline II helixtrans-55.6152.6173-2535.1000112.7S170 G210 G211S170-P208 WeakPolarHBondContact CB-O 3.4Å; S170-P208 PolarHBondContact OG-O 3.22Å; P208-G210 PolarHBondContact O-N 2.9Å; P208-G211 PolarHBondContact O-N 2.82Å
209A92.7Very high94Very high85 Ų8559.6 Ų59.670%0.70236%0.364SS*.THydrogen-bonded Turntrans-55.4134.617400000110.6G211 S214A209-G211 VanDerWaalsContact C-N 3.25Å; A209-G211 PolarHBondContact O-N 3.31Å; A209-S214 WeakPolarHBondContact O-CB 3.11Å
210G91.4Very high93.8Very high40 Ų4058.2 Ų58.241%0.41236%0.358SS..THydrogen-bonded Turntrans80.1-10.5-174.600000115.6P208 I212 D213P208-G210 PolarHBondContact O-N 2.9Å; G210-I212 PolarHBondContact O-N 3.35Å; G210-D213 PolarHBondContact O-N 2.77Å
211G94.5Very high93.8Very high8 Ų861.5 Ų61.58%0.08238%0.375CS..G310 helixtrans59-132.8178.900000112.2P171 P208 A209 D213 S214P171-G211 WeakPolarHBondContact O-CA 3.47Å; P208-G211 PolarHBondContact O-N 2.82Å; A209-G211 VanDerWaalsContact C-N 3.25Å; A209-G211 PolarHBondContact O-N 3.31Å; G211-D213 VanDerWaalsContact C-N 3.28Å; G211-D213 PolarHBondContact O-N 2.81Å; G211-S214 PolarHBondContact O-N 2.8Å; G211-S214 PolarHBondContact O-OG 2.98Å
212I95.6Very high93.6Very high28 Ų2864.6 Ų64.614%0.14439%0.392CS..G310 helixtrans-64.9-33.5-179.9-66.8160.9000111.7E172 G210 S214 V215 L216 L231 R234E172-I212 HydrophobicContact CG-CD1 3.74Å; E172-I212 HydrophobicContact CG-CG1 3.85Å; G210-I212 PolarHBondContact O-N 3.35Å; I212-S214 PolarHBondContact O-N 2.92Å; I212-S214 VanDerWaalsContact O-N 3.11Å; I212-V215 WeakPolarHBondContact O-CA 3.11Å; I212-V215 PolarHBondContact O-N 3.05Å; I212-L216 HydrophobicContact CG2-CB 4.09Å; I212-L216 HydrophobicContact CG2-CD1 4.03Å; I212-L216 PolarHBondContact O-N 3.22Å; I212-L231 HydrophobicContact CG1-CB 4.14Å; I212-L231 HydrophobicContact CG1-CD2 4.47Å; I212-L231 HydrophobicContact CG2-CB 4.14Å; I212-R234 HydrophobicContact CD1-CB 3.83Å; I212-R234 HydrophobicContact CD1-CG 4.49Å
213D93Very high93.6Very high126 Ų12666.8 Ų66.867%0.67440%0.399SS*.G310 helixtrans-66.6-16.8-176-63.3-11000112.7G210 G211 V215 L216G210-D213 PolarHBondContact O-N 2.77Å; G211-D213 VanDerWaalsContact C-N 3.28Å; G211-D213 PolarHBondContact O-N 2.81Å; D213-V215 VanDerWaalsContact C-N 3.3Å; D213-L216 WeakPolarHBondContact CA-O 3.47Å
214S92.5Very high93.6Very high70 Ų7067.8 Ų67.849%0.4941%0.406SS..G310 helixtrans-72.4-23.1171.2730000113.2A209 G211 I212A209-S214 WeakPolarHBondContact O-CB 3.11Å; G211-S214 PolarHBondContact O-N 2.8Å; G211-S214 PolarHBondContact O-OG 2.98Å; I212-S214 PolarHBondContact O-N 2.92Å; I212-S214 VanDerWaalsContact O-N 3.11Å
215V94.3Very high93.5Very high66 Ų6666.7 Ų66.740%0.440%0.399SS..THydrogen-bonded Turntrans-105.3-43.3-179.4-176.10000111.2I212 D213 N228 L231I212-V215 WeakPolarHBondContact O-CA 3.11Å; I212-V215 PolarHBondContact O-N 3.05Å; D213-V215 VanDerWaalsContact C-N 3.3Å; V215-N228 HydrophobicContact CG1-CB 4.45Å; V215-L231 HydrophobicContact CB-CD1 3.97Å; V215-L231 HydrophobicContact CG1-CD1 3.93Å; V215-L231 HydrophobicContact CG2-CD1 4.08Å
216L93.4Very high93.5Very high16 Ų1665.5 Ų65.58%0.08439%0.385CS..  trans-119.8124.5-174.3-70170.7000110.7I212 D213 T224 Q225 N228 L231 V232I212-L216 HydrophobicContact CG2-CB 4.09Å; I212-L216 HydrophobicContact CG2-CD1 4.03Å; I212-L216 PolarHBondContact O-N 3.22Å; D213-L216 WeakPolarHBondContact CA-O 3.47Å; L216-T224 HydrophobicContact CD2-CG2 4.12Å; L216-Q225 HydrophobicContact CD2-CG 4.26Å; L216-N228 HydrophobicContact CD1-CB 3.96Å; L216-N228 HydrophobicContact CD2-CB 4.06Å; L216-N228 HydrophobicContact CG-CB 4.16Å; L216-L231 HydrophobicContact CD1-CB 4.07Å; L216-V232 HydrophobicContact CD1-CG2 3.52Å
217T90.6Very high93.5Very high49 Ų4963 Ų6330%0.30138%0.378SS..  trans-111.6166175.258.40000109.9E219 S220T217-E219 WeakPolarHBondContact CB-OE2 3.42Å; T217-E219 PolarHBondContact O-N 3.37Å; T217-E219 VanDerWaalsContact O-N 3.11Å; T217-E219 PolarHBondContact OG1-OE2 2.97Å; T217-S220 PolarHBondContact N-OG 2.86Å; T217-S220 VanDerWaalsContact O-CB 3.3Å; T217-S220 WeakPolarHBondContact O-CB 3.17Å; T217-S220 PolarHBondContact O-N 3.33Å; T217-S220 PolarHBondContact O-OG 2.84Å; T217-S220 PolarHBondContact OG1-N 3.21Å; T217-S220 PolarHBondContact OG1-OG 3.48Å
218V84.6Confident93.5Very high138 Ų13863.8 Ų63.884%0.83638%0.379SS*.THydrogen-bonded Turntrans-61.1-20.1174.4-60.60000112.5
219E89.7Confident93.7Very high133 Ų13359.6 Ų59.662%0.62135%0.351SS*.THydrogen-bonded Turntrans-92.1-2.5175.5-57.182.7179.700114.6T217 D221T217-E219 WeakPolarHBondContact CB-OE2 3.42Å; T217-E219 PolarHBondContact O-N 3.37Å; T217-E219 VanDerWaalsContact O-N 3.11Å; T217-E219 PolarHBondContact OG1-OE2 2.97Å; E219-D221 PolarHBondContact O-N 3.37Å
220S92.2Very high93.9Very high18 Ų1859.3 Ų59.313%0.12634%0.335CS..  trans-60.6129.5179.2-710000110.1T217 Q225T217-S220 PolarHBondContact N-OG 2.86Å; T217-S220 VanDerWaalsContact O-CB 3.3Å; T217-S220 WeakPolarHBondContact O-CB 3.17Å; T217-S220 PolarHBondContact O-N 3.33Å; T217-S220 PolarHBondContact O-OG 2.84Å; T217-S220 PolarHBondContact OG1-N 3.21Å; T217-S220 PolarHBondContact OG1-OG 3.48Å; S220-Q225 PolarHBondContact O-NE2 2.98Å
221D94.4Very high94.2Very high71 Ų7158.7 Ų58.738%0.3832%0.322SS..  trans-68166.4178.369.286.1000111.6E219 D223 T224 Q225E219-D221 PolarHBondContact O-N 3.37Å; D221-D223 VanDerWaalsContact C-N 3.34Å; D221-D223 PolarHBondContact O-N 3.12Å; D221-D223 WeakPolarHBondContact OD1-CB 3.46Å; D221-D223 PolarHBondContact OD1-N 2.76Å; D221-T224 PolarHBondContact O-N 2.87Å; D221-T224 PolarHBondContact OD1-N 3.41Å; D221-T224 PolarHBondContact OD1-OG1 3.36Å; D221-T224 PolarHBondContact OD2-OG1 3.37Å; D221-Q225 WeakPolarHBondContact O-CG 3.38Å; D221-Q225 PolarHBondContact O-N 3.05Å
222I93Very high94.4Very high77 Ų7759.6 Ų59.640%0.39533%0.326SS..Hα-helixtrans-57.8-43.3-176.1-70.5164000112.3Q225 L226 R529I222-Q225 PolarHBondContact O-N 3.28Å; I222-L226 HydrophobicContact CG2-CD1 3.81Å; I222-L226 HydrophobicContact CG2-CG 4.33Å; I222-L226 WeakPolarHBondContact O-CB 3.31Å; I222-L226 VanDerWaalsContact O-CG 3.26Å; I222-L226 WeakPolarHBondContact O-CG 3.17Å; I222-L226 PolarHBondContact O-N 2.83Å; I222-R529 VanDerWaalsContact CG1-NH2 3.34Å
223D93.9Very high94.4Very high80 Ų8060 Ų6043%0.42833%0.328SS..Hα-helixtrans-68.5-40.7-177.2-78.3-48.1000110.5D221 Q225 L226 D227 R540D221-D223 VanDerWaalsContact C-N 3.34Å; D221-D223 PolarHBondContact O-N 3.12Å; D221-D223 WeakPolarHBondContact OD1-CB 3.46Å; D221-D223 PolarHBondContact OD1-N 2.76Å; D223-Q225 VanDerWaalsContact C-N 3.34Å; D223-Q225 PolarHBondContact O-N 3.14Å; D223-L226 PolarHBondContact O-N 2.8Å; D223-D227 WeakPolarHBondContact O-CB 3.36Å; D223-D227 PolarHBondContact O-N 3.05Å; D223-R540 PolarHBondContact O-NH2 3.15Å; D223-R540 IonicContact OD1-NH2 3.53Å; D223-R540 PolarHBondContact OD1-NH2 2.95Å; D223-R540 VanDerWaalsContact OD1-NH2 3.11Å
224T96.2Very high94.7Very high47 Ų4758.2 Ų58.229%0.28831%0.311SS..Hα-helixtrans-59.8-42.9172.4-60.90000111.9L216 D221 N228L216-T224 HydrophobicContact CD2-CG2 4.12Å; D221-T224 PolarHBondContact O-N 2.87Å; D221-T224 PolarHBondContact OD1-N 3.41Å; D221-T224 PolarHBondContact OD1-OG1 3.36Å; D221-T224 PolarHBondContact OD2-OG1 3.37Å; T224-N228 PolarHBondContact O-N 3.01Å; T224-N228 PolarHBondContact O-ND2 2.86Å
225Q96.2Very high94.8Very high78 Ų7856 Ų5636%0.36430%0.3SS..Hα-helixtrans-64.3-40.6176.2-71.9-178.247.700112.1L216 S220 D221 I222 D223 N228 R229 V232L216-Q225 HydrophobicContact CD2-CG 4.26Å; S220-Q225 PolarHBondContact O-NE2 2.98Å; D221-Q225 WeakPolarHBondContact O-CG 3.38Å; D221-Q225 PolarHBondContact O-N 3.05Å; I222-Q225 PolarHBondContact O-N 3.28Å; D223-Q225 VanDerWaalsContact C-N 3.34Å; D223-Q225 PolarHBondContact O-N 3.14Å; Q225-N228 CarbonylContact O-C 3.57Å; Q225-N228 VanDerWaalsContact O-C 3.29Å; Q225-N228 PolarHBondContact O-N 2.92Å; Q225-R229 WeakPolarHBondContact O-CA 3.43Å; Q225-R229 PolarHBondContact O-N 2.74Å; Q225-V232 HydrophobicContact CB-CG2 4.39Å; Q225-V232 WeakPolarHBondContact O-CG2 3.32Å
226L96.1Very high94.8Very high4 Ų455.7 Ų55.72%0.02129%0.294CS..Hα-helixtrans-70.5-43.8179.2-69.3173.2000111.7I222 D223 N228 R229 P535 F537 P543I222-L226 HydrophobicContact CG2-CD1 3.81Å; I222-L226 HydrophobicContact CG2-CG 4.33Å; I222-L226 WeakPolarHBondContact O-CB 3.31Å; I222-L226 VanDerWaalsContact O-CG 3.26Å; I222-L226 WeakPolarHBondContact O-CG 3.17Å; I222-L226 PolarHBondContact O-N 2.83Å; D223-L226 PolarHBondContact O-N 2.8Å; L226-N228 PolarHBondContact O-N 2.9Å; L226-N228 VanDerWaalsContact O-N 3.16Å; L226-R229 WeakPolarHBondContact O-CB 3.44Å; L226-R229 PolarHBondContact O-N 2.73Å; L226-P535 HydrophobicContact CD2-CG 4Å; L226-F537 HydrophobicContact CD1-CE1 4.31Å; L226-F537 HydrophobicContact CD1-CZ 3.83Å; L226-P543 CarbonylContact O-C 3.43Å
227D96.9Very high94.8Very high72 Ų7260.1 Ų60.139%0.38532%0.318SS..Hα-helixtrans-60.4-28.5175.9-72.8-0.4000112.3D223 R540D223-D227 WeakPolarHBondContact O-CB 3.36Å; D223-D227 PolarHBondContact O-N 3.05Å; D227-R540 IonicContact OD1-CZ 2.85Å; D227-R540 VanDerWaalsContact OD1-CZ 3.28Å; D227-R540 IonicContact OD1-NH1 3.29Å; D227-R540 PolarHBondContact OD1-NH1 2.94Å; D227-R540 IonicContact OD1-NH2 3.54Å; D227-R540 PolarHBondContact OD1-NH2 2.8Å
228N97.7Very high95Very high37 Ų3759.1 Ų59.120%0.19831%0.312CS..THydrogen-bonded Turntrans-105.125.7176.2-62.7-79.8000112.4V215 L216 T224 Q225 L226 H230 L231 V232V215-N228 HydrophobicContact CG1-CB 4.45Å; L216-N228 HydrophobicContact CD1-CB 3.96Å; L216-N228 HydrophobicContact CD2-CB 4.06Å; L216-N228 HydrophobicContact CG-CB 4.16Å; T224-N228 PolarHBondContact O-N 3.01Å; T224-N228 PolarHBondContact O-ND2 2.86Å; Q225-N228 CarbonylContact O-C 3.57Å; Q225-N228 VanDerWaalsContact O-C 3.29Å; Q225-N228 PolarHBondContact O-N 2.92Å; L226-N228 PolarHBondContact O-N 2.9Å; L226-N228 VanDerWaalsContact O-N 3.16Å; N228-H230 PolarHBondContact O-N 2.93Å; N228-H230 VanDerWaalsContact O-N 3.13Å; N228-L231 HydrophobicContact CB-CD1 4.44Å; N228-L231 WeakPolarHBondContact O-CA 3.15Å; N228-L231 WeakPolarHBondContact O-CB 3.3Å; N228-L231 PolarHBondContact O-N 3.43Å; N228-V232 PolarHBondContact O-N 3.41Å
229R98Very high95.6Very high8 Ų853.6 Ų53.63%0.0328%0.281CS..Hα-helixtrans-60.4-29.7-174.6-170.9159.5-17689.45.7112.8Q225 L226 L231 V232 I233 R529 D530 C532 L533 Y534Q225-R229 WeakPolarHBondContact O-CA 3.43Å; Q225-R229 PolarHBondContact O-N 2.74Å; L226-R229 WeakPolarHBondContact O-CB 3.44Å; L226-R229 PolarHBondContact O-N 2.73Å; R229-L231 PolarHBondContact O-N 2.88Å; R229-L231 VanDerWaalsContact O-N 3.16Å; R229-V232 PolarHBondContact O-N 3.44Å; R229-I233 HydrophobicContact CG-CG2 4.16Å; R229-I233 WeakPolarHBondContact O-CG1 3.38Å; R229-I233 WeakPolarHBondContact O-CG2 3.47Å; R229-I233 PolarHBondContact O-N 3.05Å; R229-R529 VanDerWaalsContact CZ-O 3.31Å; R229-R529 PolarHBondContact NH2-O 3.44Å; R229-D530 PolarHBondContact NH2-O 2.75Å; R229-C532 PolarHBondContact NE-O 2.84Å; R229-C532 PolarHBondContact NH2-O 3.43Å; R229-L533 WeakPolarHBondContact CD-O 3.38Å; R229-L533 PolarHBondContact NE-O 3.04Å; R229-Y534 HydrophobicContact CB-CD1 4.04Å; R229-Y534 HydrophobicContact CB-CE1 4.05Å; R229-Y534 HydrophobicContact CG-CD1 4.04Å; R229-Y534 HydrophobicContact CG-CE1 4.17Å
230H98.3Very high96Very high79 Ų7948.6 Ų48.637%0.36626%0.257SS..Hα-helixtrans-58.1-23.117266.5-79.9000114.1N228 I233 Y534N228-H230 PolarHBondContact O-N 2.93Å; N228-H230 VanDerWaalsContact O-N 3.13Å; H230-I233 WeakPolarHBondContact O-CG1 3.1Å; H230-Y534 HydrophobicContact CB-CE1 4.37Å; H230-Y534 WeakPolarHBondContact CB-OH 2.9Å
231L98Very high96.3Very high28 Ų2847.9 Ų47.915%0.14725%0.252CS..Hα-helixtrans-90.4-42.3169.4-57.7-176.8000111.5I212 V215 L216 N228 R229 I233 R234I212-L231 HydrophobicContact CG1-CB 4.14Å; I212-L231 HydrophobicContact CG1-CD2 4.47Å; I212-L231 HydrophobicContact CG2-CB 4.14Å; V215-L231 HydrophobicContact CB-CD1 3.97Å; V215-L231 HydrophobicContact CG1-CD1 3.93Å; V215-L231 HydrophobicContact CG2-CD1 4.08Å; L216-L231 HydrophobicContact CD1-CB 4.07Å; N228-L231 HydrophobicContact CB-CD1 4.44Å; N228-L231 WeakPolarHBondContact O-CA 3.15Å; N228-L231 WeakPolarHBondContact O-CB 3.3Å; N228-L231 PolarHBondContact O-N 3.43Å; R229-L231 PolarHBondContact O-N 2.88Å; R229-L231 VanDerWaalsContact O-N 3.16Å; L231-I233 VanDerWaalsContact C-N 3.25Å; L231-I233 PolarHBondContact O-N 3.28Å; L231-R234 VanDerWaalsContact O-CB 3.28Å; L231-R234 WeakPolarHBondContact O-CB 3.38Å; L231-R234 PolarHBondContact O-N 3.04Å
232V97Very high96.4Very high27 Ų2746.7 Ų46.716%0.16425%0.245CC..Hα-helixtrans-55.2-39.6178.21780000112.1L216 Q225 N228 R229 R234 G235 T238L216-V232 HydrophobicContact CD1-CG2 3.52Å; Q225-V232 HydrophobicContact CB-CG2 4.39Å; Q225-V232 WeakPolarHBondContact O-CG2 3.32Å; N228-V232 PolarHBondContact O-N 3.41Å; R229-V232 PolarHBondContact O-N 3.44Å; V232-R234 PolarHBondContact O-N 3.49Å; V232-R234 VanDerWaalsContact O-N 3.14Å; V232-G235 PolarHBondContact O-N 3.08Å; V232-T238 HydrophobicContact CG1-CG2 4.29Å; V232-T238 WeakPolarHBondContact O-CB 3.39Å; V232-T238 PolarHBondContact O-OG1 3.27Å
233I97.4Very high96.6Very high36 Ų3648.5 Ų48.519%0.18525%0.247CC..THydrogen-bonded Turntrans-65.3-14.2179.463.4173.5000113.7R229 H230 L231 G235 T238 L242 L533R229-I233 HydrophobicContact CG-CG2 4.16Å; R229-I233 WeakPolarHBondContact O-CG1 3.38Å; R229-I233 WeakPolarHBondContact O-CG2 3.47Å; R229-I233 PolarHBondContact O-N 3.05Å; H230-I233 WeakPolarHBondContact O-CG1 3.1Å; L231-I233 VanDerWaalsContact C-N 3.25Å; L231-I233 PolarHBondContact O-N 3.28Å; I233-G235 VanDerWaalsContact C-N 3.34Å; I233-T238 HydrophobicContact CB-CG2 4.32Å; I233-T238 HydrophobicContact CG2-CG2 3.93Å; I233-L242 HydrophobicContact CB-CD1 3.88Å; I233-L242 HydrophobicContact CG2-CD1 3.76Å; I233-L533 HydrophobicContact CD1-CD1 4.05Å; I233-L533 HydrophobicContact CG2-CD1 4.34Å
234R97.8Very high96.9Very high88 Ų8844.7 Ų44.733%0.33223%0.227SC..THydrogen-bonded Turntrans-81.7-17174.2-54.3-166.4-177.1-168.21.2112.6R146 E172 I212 L231 V232R146-R234 PolarHBondContact NH1-O 2.75Å; E172-R234 WeakPolarHBondContact OE2-CD 3.37Å; E172-R234 IonicContact OE2-CZ 2.81Å; E172-R234 IonicContact OE2-NE 3.56Å; E172-R234 IonicContact OE2-NH1 3.46Å; E172-R234 PolarHBondContact OE2-NH1 3.25Å; I212-R234 HydrophobicContact CD1-CB 3.83Å; I212-R234 HydrophobicContact CD1-CG 4.49Å; L231-R234 VanDerWaalsContact O-CB 3.28Å; L231-R234 WeakPolarHBondContact O-CB 3.38Å; L231-R234 PolarHBondContact O-N 3.04Å; V232-R234 PolarHBondContact O-N 3.49Å; V232-R234 VanDerWaalsContact O-N 3.14Å
235G95.3Very high97Very high25 Ų2543.6 Ų43.626%0.25822%0.22SC..SBendtrans-61.2144170.700000111.2V232 I233 N237 T238 A239V232-G235 PolarHBondContact O-N 3.08Å; I233-G235 VanDerWaalsContact C-N 3.34Å; G235-N237 PolarHBondContact O-N 3.43Å; G235-T238 PolarHBondContact O-N 3.44Å; G235-A239 WeakPolarHBondContact O-CB 3.11Å; G235-A239 PolarHBondContact O-N 3.27Å
236E94.1Very high97.1Very high59 Ų5943.4 Ų43.428%0.27623%0.227SC..Hα-helixtrans-54.6-50.6-175.3-178.5176.9169.800112.2R132 F151 T238 A239 K240R132-E236 IonicContact NH2-OE2 2.78Å; F151-E236 HydrophobicContact CE2-CG 3.86Å; F151-E236 HydrophobicContact CZ-CB 4.1Å; F151-E236 HydrophobicContact CZ-CG 3.92Å; E236-T238 PolarHBondContact O-N 2.63Å; E236-A239 PolarHBondContact O-N 2.62Å; E236-K240 HydrophobicContact CG-CD 4.39Å; E236-K240 VanDerWaalsContact O-CG 3.31Å; E236-K240 WeakPolarHBondContact O-CG 3.22Å; E236-K240 PolarHBondContact O-N 3.03Å; E236-K240 VanDerWaalsContact OE1-CE 3.31Å; E236-K240 WeakPolarHBondContact OE1-CE 3.31Å; E236-K240 IonicContact OE1-NZ 3.9Å; E236-K240 PolarHBondContact OE1-NZ 2.96Å
237N93.6Very high97.2Very high108 Ų10844 Ų4458%0.57823%0.231SC*.Hα-helixtrans-64.8-42.8-177-68.1-14.2000113G235 K240 V241G235-N237 PolarHBondContact O-N 3.43Å; N237-K240 PolarHBondContact O-N 2.89Å; N237-V241 WeakPolarHBondContact O-CG2 3.22Å; N237-V241 PolarHBondContact O-N 3.33Å
238T95.8Very high97.3Very high29 Ų2940.5 Ų40.518%0.17821%0.212CC..Hα-helixtrans-67.3-38.5178.4-42.70000111.2V232 I233 G235 E236 V241 L242V232-T238 HydrophobicContact CG1-CG2 4.29Å; V232-T238 WeakPolarHBondContact O-CB 3.39Å; V232-T238 PolarHBondContact O-OG1 3.27Å; I233-T238 HydrophobicContact CB-CG2 4.32Å; I233-T238 HydrophobicContact CG2-CG2 3.93Å; G235-T238 PolarHBondContact O-N 3.44Å; E236-T238 PolarHBondContact O-N 2.63Å; T238-V241 WeakPolarHBondContact O-CB 3.39Å; T238-V241 PolarHBondContact O-N 3.17Å; T238-L242 WeakPolarHBondContact O-CG 3.45Å; T238-L242 PolarHBondContact O-N 2.75Å
239A97.1Very high97.3Very high22 Ų2240.8 Ų40.818%0.18221%0.214CC..Hα-helixtrans-64.1-39.5174.200000112.3G235 E236 L242 R243G235-A239 WeakPolarHBondContact O-CB 3.11Å; G235-A239 PolarHBondContact O-N 3.27Å; E236-A239 PolarHBondContact O-N 2.62Å; A239-L242 PolarHBondContact O-N 2.98Å; A239-R243 WeakPolarHBondContact O-CG 3.43Å; A239-R243 PolarHBondContact O-N 3Å; A239-R243 VanDerWaalsContact O-N 3.1Å
240K96.7Very high97.3Very high28 Ų2845 Ų4512%0.12223%0.234CC..Hα-helixtrans-61.2-44.6173.7-68177.8-178.3165.70111.2E236 N237 R243 L244 L368 D371 V372E236-K240 HydrophobicContact CG-CD 4.39Å; E236-K240 VanDerWaalsContact O-CG 3.31Å; E236-K240 WeakPolarHBondContact O-CG 3.22Å; E236-K240 PolarHBondContact O-N 3.03Å; E236-K240 VanDerWaalsContact OE1-CE 3.31Å; E236-K240 WeakPolarHBondContact OE1-CE 3.31Å; E236-K240 IonicContact OE1-NZ 3.9Å; E236-K240 PolarHBondContact OE1-NZ 2.96Å; N237-K240 PolarHBondContact O-N 2.89Å; K240-R243 PolarHBondContact O-N 3.34Å; K240-L244 PolarHBondContact O-N 3.17Å; K240-L368 HydrophobicContact CB-CD1 3.96Å; K240-L368 HydrophobicContact CD-CD1 3.91Å; K240-L368 HydrophobicContact CG-CD1 3.69Å; K240-D371 VanDerWaalsContact CD-OD2 3.3Å; K240-D371 WeakPolarHBondContact CD-OD2 3.32Å; K240-D371 WeakPolarHBondContact CE-OD2 3.3Å; K240-D371 IonicContact NZ-OD1 3.31Å; K240-D371 IonicContact NZ-OD2 3.07Å; K240-D371 PolarHBondContact NZ-OD2 3.38Å; K240-V372 HydrophobicContact CB-CG2 3.81Å; K240-V372 HydrophobicContact CD-CG2 4.3Å
241V98.1Very high97.4Very high3 Ų341.6 Ų41.62%0.01822%0.219CC..Hα-helixtrans-56.8-51.9175.1167.30000111.2N237 T238 R243 L244 V245 V372 L523 V531N237-V241 WeakPolarHBondContact O-CG2 3.22Å; N237-V241 PolarHBondContact O-N 3.33Å; T238-V241 WeakPolarHBondContact O-CB 3.39Å; T238-V241 PolarHBondContact O-N 3.17Å; V241-R243 VanDerWaalsContact C-N 3.28Å; V241-R243 PolarHBondContact O-N 3.22Å; V241-L244 PolarHBondContact O-N 3.36Å; V241-L244 VanDerWaalsContact O-N 3.13Å; V241-V245 HydrophobicContact CG1-CG2 4.34Å; V241-V245 VanDerWaalsContact O-CG2 3.29Å; V241-V245 WeakPolarHBondContact O-CG2 3.46Å; V241-V245 PolarHBondContact O-N 3.02Å; V241-V372 HydrophobicContact CG2-CG1 4.27Å; V241-L523 HydrophobicContact CB-CD1 4.37Å; V241-L523 HydrophobicContact CG1-CD1 3.82Å; V241-L523 HydrophobicContact CG2-CD1 4.4Å; V241-V531 HydrophobicContact CG1-CB 4.4Å; V241-V531 HydrophobicContact CG1-CG1 4.2Å
242L98.1Very high97.4Very high46 Ų4640.3 Ų40.324%0.24121%0.212CC..Hα-helixtrans-61.6-35-179.7-68.3177.1000113I233 T238 A239 S246 L533I233-L242 HydrophobicContact CB-CD1 3.88Å; I233-L242 HydrophobicContact CG2-CD1 3.76Å; T238-L242 WeakPolarHBondContact O-CG 3.45Å; T238-L242 PolarHBondContact O-N 2.75Å; A239-L242 PolarHBondContact O-N 2.98Å; L242-S246 PolarHBondContact O-N 3Å; L242-S246 VanDerWaalsContact O-N 3.12Å; L242-L533 HydrophobicContact CD1-CD1 4.12Å
243R97.4Very high97.5Very high114 Ų11443.4 Ų43.443%0.4322%0.221SC..Hα-helixtrans-65.6-46.7173.2-71.3174.3-166.8-78.1-11.7111.9G148 A239 K240 V241 V245 S246 V247 L368G148-R243 PolarHBondContact O-NH1 3.12Å; G148-R243 PolarHBondContact O-NH2 3.24Å; A239-R243 WeakPolarHBondContact O-CG 3.43Å; A239-R243 PolarHBondContact O-N 3Å; A239-R243 VanDerWaalsContact O-N 3.1Å; K240-R243 PolarHBondContact O-N 3.34Å; V241-R243 VanDerWaalsContact C-N 3.28Å; V241-R243 PolarHBondContact O-N 3.22Å; R243-V245 VanDerWaalsContact C-N 3.3Å; R243-V245 PolarHBondContact O-N 3.05Å; R243-S246 WeakPolarHBondContact O-CB 3.29Å; R243-S246 PolarHBondContact O-N 3.22Å; R243-S246 VanDerWaalsContact O-N 3.14Å; R243-V247 WeakPolarHBondContact O-CG2 3.5Å; R243-V247 PolarHBondContact O-N 3.16Å; R243-L368 HydrophobicContact CB-CD2 4.27Å
244L98.4Very high97.6Very high0 Ų043.1 Ų43.10%022%0.224CC..Hα-helixtrans-65.3-34.8178.9-72.6167.8000111.8K240 V241 S246 V247 A248 L368 L369 V372 L523K240-L244 PolarHBondContact O-N 3.17Å; V241-L244 PolarHBondContact O-N 3.36Å; V241-L244 VanDerWaalsContact O-N 3.13Å; L244-S246 VanDerWaalsContact C-N 3.34Å; L244-V247 PolarHBondContact O-N 2.81Å; L244-A248 WeakPolarHBondContact O-CB 3.46Å; L244-A248 PolarHBondContact O-N 3.32Å; L244-L368 HydrophobicContact CD1-CG 4.08Å; L244-L368 HydrophobicContact CD2-CB 4.22Å; L244-L368 HydrophobicContact CD2-CD2 3.9Å; L244-L368 HydrophobicContact CD2-CG 3.93Å; L244-L368 HydrophobicContact CG-CD2 3.87Å; L244-L368 HydrophobicContact CG-CG 3.93Å; L244-L369 HydrophobicContact CD1-CD1 4.41Å; L244-L369 HydrophobicContact CD2-CB 4.12Å; L244-V372 HydrophobicContact CD1-CB 4.07Å; L244-V372 HydrophobicContact CD1-CG2 3.78Å; L244-L523 HydrophobicContact CB-CD1 4.41Å; L244-L523 HydrophobicContact CB-CD2 3.7Å; L244-L523 HydrophobicContact CD1-CD2 3.42Å; L244-L523 VanDerWaalsContact CD1-CD2 3.42Å; L244-L523 HydrophobicContact CG-CD2 4.16Å
245V98.5Very high97.6Very high25 Ų2539 Ų3915%0.15221%0.209CC..Hα-helixtrans-59.5-45.1170.7171.80000110.6V241 R243 V247 A248 L249 F515 C519 L523 V531V241-V245 HydrophobicContact CG1-CG2 4.34Å; V241-V245 VanDerWaalsContact O-CG2 3.29Å; V241-V245 WeakPolarHBondContact O-CG2 3.46Å; V241-V245 PolarHBondContact O-N 3.02Å; R243-V245 VanDerWaalsContact C-N 3.3Å; R243-V245 PolarHBondContact O-N 3.05Å; V245-V247 VanDerWaalsContact C-N 3.34Å; V245-V247 PolarHBondContact O-N 3.05Å; V245-A248 PolarHBondContact O-N 3.04Å; V245-L249 PolarHBondContact O-N 3.18Å; V245-F515 HydrophobicContact CG1-CE1 3.67Å; V245-F515 HydrophobicContact CG1-CZ 4.05Å; V245-F515 WeakPolarHBondContact O-CZ 3.35Å; V245-C519 HydrophobicContact CG2-CB 4.16Å; V245-L523 HydrophobicContact CG2-CD1 4.17Å; V245-V531 HydrophobicContact CG2-CB 4.26Å
246S98.4Very high97.8Very high74 Ų7437.9 Ų37.952%0.51720%0.197SC..Hα-helixtrans-61.2-40.8174.2-174.70000112.7L242 R243 L244 E250L242-S246 PolarHBondContact O-N 3Å; L242-S246 VanDerWaalsContact O-N 3.12Å; R243-S246 WeakPolarHBondContact O-CB 3.29Å; R243-S246 PolarHBondContact O-N 3.22Å; R243-S246 VanDerWaalsContact O-N 3.14Å; L244-S246 VanDerWaalsContact C-N 3.34Å; S246-E250 PolarHBondContact O-N 3.44Å
247V98.5Very high98Very high15 Ų1539.3 Ų39.39%0.09121%0.21CC..Hα-helixtrans-66.1-41.6177.9170.60000111.3R243 L244 V245 E250 A251 I361 R364R243-V247 WeakPolarHBondContact O-CG2 3.5Å; R243-V247 PolarHBondContact O-N 3.16Å; L244-V247 PolarHBondContact O-N 2.81Å; V245-V247 VanDerWaalsContact C-N 3.34Å; V245-V247 PolarHBondContact O-N 3.05Å; V247-E250 PolarHBondContact O-N 3.31Å; V247-A251 WeakPolarHBondContact O-CB 3.36Å; V247-A251 PolarHBondContact O-N 2.74Å; V247-I361 HydrophobicContact CG1-CG1 4.33Å; V247-I361 HydrophobicContact CG1-CG2 4.31Å; V247-R364 HydrophobicContact CG1-CG 4.41Å
248A98.7Very high98.2Very high0 Ų039.2 Ų39.20%021%0.209CC..Hα-helixtrans-61.5-46176.900000111.2L244 V245 E250 A251 F252 I361 F515 F518 L522L244-A248 WeakPolarHBondContact O-CB 3.46Å; L244-A248 PolarHBondContact O-N 3.32Å; V245-A248 PolarHBondContact O-N 3.04Å; A248-E250 VanDerWaalsContact C-N 3.32Å; A248-E250 PolarHBondContact O-N 3.1Å; A248-A251 WeakPolarHBondContact O-CB 3.5Å; A248-A251 PolarHBondContact O-N 2.71Å; A248-A251 VanDerWaalsContact O-N 3.12Å; A248-F252 VanDerWaalsContact O-CD2 3.26Å; A248-F252 WeakPolarHBondContact O-CD2 3.43Å; A248-F252 PolarHBondContact O-N 2.85Å; A248-I361 HydrophobicContact CB-CD1 3.77Å; A248-F515 HydrophobicContact CB-CE2 4.09Å; A248-F515 HydrophobicContact CB-CZ 4.21Å; A248-F518 HydrophobicContact CB-CE1 4.38Å; A248-L522 HydrophobicContact CB-CD2 4.31Å
249L98.7Very high98.4Very high42 Ų4241.5 Ų41.522%0.2221%0.214CC..Hα-helixtrans-59.8-41.6178-176.361.6000112.4V245 F252 R253 I313 F515V245-L249 PolarHBondContact O-N 3.18Å; L249-F252 PolarHBondContact O-N 3.25Å; L249-R253 PolarHBondContact O-N 3.5Å; L249-R253 VanDerWaalsContact O-N 3.14Å; L249-I313 HydrophobicContact CD1-CD1 3.78Å; L249-I313 HydrophobicContact CD1-CG2 3.74Å; L249-F515 HydrophobicContact CB-CE1 4.45Å; L249-F515 HydrophobicContact CB-CE2 4.18Å; L249-F515 HydrophobicContact CB-CZ 3.71Å; L249-F515 HydrophobicContact CD1-CE2 4.39Å; L249-F515 HydrophobicContact CD1-CZ 4.34Å
250E98.6Very high98.5Very high97 Ų9743.2 Ų43.245%0.45323%0.234SC..Hα-helixtrans-65.8-39.1175.1-171.3178.814000112S246 V247 A248 R253 A254 R364S246-E250 PolarHBondContact O-N 3.44Å; V247-E250 PolarHBondContact O-N 3.31Å; A248-E250 VanDerWaalsContact C-N 3.32Å; A248-E250 PolarHBondContact O-N 3.1Å; E250-R253 PolarHBondContact O-N 3.27Å; E250-A254 WeakPolarHBondContact O-CB 3.45Å; E250-A254 PolarHBondContact O-N 3.39Å; E250-R364 VanDerWaalsContact CD-NH2 3.3Å; E250-R364 IonicContact OE1-CZ 3.35Å; E250-R364 IonicContact OE1-NE 2.62Å; E250-R364 IonicContact OE1-NH1 3.28Å; E250-R364 PolarHBondContact OE1-NH1 3.29Å; E250-R364 VanDerWaalsContact OE1-NH1 3.13Å; E250-R364 IonicContact OE1-NH2 2.74Å; E250-R364 PolarHBondContact OE1-NH2 2.67Å; E250-R364 VanDerWaalsContact OE1-NH2 3.16Å; E250-R364 IonicContact OE2-CZ 3.05Å; E250-R364 IonicContact OE2-NH1 2.76Å; E250-R364 PolarHBondContact OE2-NH1 2.82Å; E250-R364 IonicContact OE2-NH2 3.07Å; E250-R364 PolarHBondContact OE2-NH2 3.29Å
251A98.8Very high98.6Very high8 Ų842.5 Ų42.57%0.06623%0.23CC..Hα-helixtrans-63.6-40.1176.200000112.3V247 A248 A254 H255 V357 R360 I361V247-A251 WeakPolarHBondContact O-CB 3.36Å; V247-A251 PolarHBondContact O-N 2.74Å; A248-A251 WeakPolarHBondContact O-CB 3.5Å; A248-A251 PolarHBondContact O-N 2.71Å; A248-A251 VanDerWaalsContact O-N 3.12Å; A251-A254 PolarHBondContact O-N 3.28Å; A251-H255 WeakPolarHBondContact O-CB 3.27Å; A251-H255 PolarHBondContact O-N 3.36Å; A251-V357 HydrophobicContact CB-CG1 4.01Å; A251-R360 HydrophobicContact CB-CB 3.91Å; A251-I361 HydrophobicContact CB-CD1 4.36Å; A251-I361 HydrophobicContact CB-CG1 3.74Å
252F98.9Very high98.6Very high0 Ų045.2 Ų45.20%025%0.247CC..Hα-helixtrans-59.3-51.7171.9-87.5-76.9000111.9A248 L249 A254 H255 F256 I313 V334 L353 V357 L513 F515 F518A248-F252 VanDerWaalsContact O-CD2 3.26Å; A248-F252 WeakPolarHBondContact O-CD2 3.43Å; A248-F252 PolarHBondContact O-N 2.85Å; L249-F252 PolarHBondContact O-N 3.25Å; F252-A254 VanDerWaalsContact C-N 3.32Å; F252-A254 PolarHBondContact O-N 3.01Å; F252-H255 WeakPolarHBondContact O-CB 3.45Å; F252-H255 PolarHBondContact O-N 2.99Å; F252-F256 HydrophobicContact CD1-CE2 4.45Å; F252-F256 WeakPolarHBondContact O-CD2 3.14Å; F252-F256 PolarHBondContact O-N 3.47Å; F252-I313 HydrophobicContact CB-CD1 4.12Å; F252-V334 HydrophobicContact CD1-CG1 4Å; F252-V334 HydrophobicContact CE1-CG1 4.36Å; F252-L353 HydrophobicContact CD1-CD1 3.84Å; F252-L353 HydrophobicContact CE1-CD1 3.88Å; F252-L353 HydrophobicContact CE1-CD2 4.14Å; F252-L353 HydrophobicContact CE1-CG 4.08Å; F252-V357 HydrophobicContact CD1-CG2 3.92Å; F252-V357 HydrophobicContact CD2-CG1 3.9Å; F252-V357 HydrophobicContact CE1-CG1 4.41Å; F252-V357 HydrophobicContact CE1-CG2 4.11Å; F252-V357 HydrophobicContact CE2-CG1 3.78Å; F252-V357 HydrophobicContact CG-CG1 4.26Å; F252-V357 HydrophobicContact CG-CG2 4.17Å; F252-V357 HydrophobicContact CZ-CG1 4.03Å; F252-L513 HydrophobicContact CE1-CD1 3.83Å; F252-L513 HydrophobicContact CE1-CD2 4.41Å; F252-L513 HydrophobicContact CZ-CD1 3.77Å; F252-L513 HydrophobicContact CZ-CD2 4Å; F252-F515 HydrophobicContact CD2-CD2 4.03Å; F252-F515 AromaticContact CD2-CE2 3.83Å; F252-F515 HydrophobicContact CD2-CE2 3.83Å; F252-F515 AromaticContact CE2-CD2 3.97Å; F252-F515 HydrophobicContact CE2-CD2 3.97Å; F252-F515 AromaticContact CE2-CE2 4Å; F252-F515 HydrophobicContact CE2-CE2 4Å; F252-F518 AromaticContact CE2-CD1 3.58Å; F252-F518 HydrophobicContact CE2-CD1 3.58Å; F252-F518 HydrophobicContact CE2-CD2 4.25Å; F252-F518 AromaticContact CE2-CE1 3.62Å; F252-F518 HydrophobicContact CE2-CE1 3.62Å; F252-F518 HydrophobicContact CE2-CE2 4.29Å; F252-F518 AromaticContact CE2-CG 3.91Å; F252-F518 HydrophobicContact CE2-CG 3.91Å; F252-F518 HydrophobicContact CE2-CZ 4Å; F252-F518 AromaticContact CZ-CD1 3.98Å; F252-F518 HydrophobicContact CZ-CD1 3.98Å; F252-F518 AromaticContact CZ-CD2 3.78Å; F252-F518 HydrophobicContact CZ-CD2 3.78Å; F252-F518 HydrophobicContact CZ-CE1 4.06Å; F252-F518 AromaticContact CZ-CE2 3.87Å; F252-F518 HydrophobicContact CZ-CE2 3.87Å; F252-F518 AromaticContact CZ-CG 3.85Å; F252-F518 HydrophobicContact CZ-CG 3.85Å; F252-F518 HydrophobicContact CZ-CZ 4.02Å
253R98.8Very high98.6Very high93 Ų9346.8 Ų46.835%0.35125%0.253SS..Hα-helixtrans-59.3-44.2177.7-72.6-165.4174.4104.61.4112L249 E250 H255 F256 V257 E263 F311 I313L249-R253 PolarHBondContact O-N 3.5Å; L249-R253 VanDerWaalsContact O-N 3.14Å; E250-R253 PolarHBondContact O-N 3.27Å; R253-H255 VanDerWaalsContact C-N 3.34Å; R253-H255 PolarHBondContact O-N 3.36Å; R253-F256 PolarHBondContact O-N 2.83Å; R253-V257 WeakPolarHBondContact O-CB 3.39Å; R253-V257 VanDerWaalsContact O-CG2 3.29Å; R253-V257 WeakPolarHBondContact O-CG2 3.49Å; R253-V257 PolarHBondContact O-N 2.73Å; R253-E263 IonicContact CZ-OE1 3.51Å; R253-E263 IonicContact NE-OE1 3.87Å; R253-E263 PolarHBondContact NE-OE1 3.15Å; R253-E263 IonicContact NE-OE2 3.85Å; R253-E263 IonicContact NH2-OE1 2.8Å; R253-F311 HydrophobicContact CG-CE2 4.49Å; R253-I313 HydrophobicContact CG-CD1 3.89Å
254A98.8Very high98.7Very high30 Ų3042.5 Ų42.525%0.24824%0.239CC..Hα-helixtrans-63.1-39.4178.800000112.3E250 A251 F252 F256 D258E250-A254 WeakPolarHBondContact O-CB 3.45Å; E250-A254 PolarHBondContact O-N 3.39Å; A251-A254 PolarHBondContact O-N 3.28Å; F252-A254 VanDerWaalsContact C-N 3.32Å; F252-A254 PolarHBondContact O-N 3.01Å; A254-F256 PolarHBondContact O-N 3.49Å; A254-D258 WeakPolarHBondContact O-CB 3.29Å; A254-D258 PolarHBondContact O-N 3Å
255H98.9Very high98.7Very high2 Ų250 Ų501%0.00928%0.279CS..Hα-helixtrans-56.2-49.3174.9168.791.2000112A251 F252 R253 R259 D352 L353 D356 V357A251-H255 WeakPolarHBondContact O-CB 3.27Å; A251-H255 PolarHBondContact O-N 3.36Å; F252-H255 WeakPolarHBondContact O-CB 3.45Å; F252-H255 PolarHBondContact O-N 2.99Å; R253-H255 VanDerWaalsContact C-N 3.34Å; R253-H255 PolarHBondContact O-N 3.36Å; H255-R259 VanDerWaalsContact CE1-CD 3.47Å; H255-R259 WeakPolarHBondContact CE1-CD 3.42Å; H255-R259 PolarHBondContact CE1-NE 3.37Å; H255-R259 PolarHBondContact CE1-NH1 2.98Å; H255-R259 VanDerWaalsContact CE1-NH1 3.29Å; H255-R259 PolarHBondContact CE1-NH2 3.11Å; H255-R259 PolarHBondContact ND1-NH1 2.74Å; H255-R259 WeakPolarHBondContact NE2-CD 3.37Å; H255-R259 PolarHBondContact O-N 3.2Å; H255-R259 PolarHBondContact O-NH1 3.46Å; H255-D352 IonicContact CE1-OD2 3.3Å; H255-L353 HydrophobicContact CB-CD1 4.47Å; H255-L353 WeakPolarHBondContact CD2-CD1 3.48Å; H255-L353 WeakPolarHBondContact CE1-CA 3.22Å; H255-D356 IonicContact CE1-OD2 3.35Å; H255-D356 IonicContact CG-OD2 3.89Å; H255-D356 IonicContact ND1-OD2 3.09Å; H255-D356 PolarHBondContact ND1-OD2 3.35Å; H255-V357 HydrophobicContact CB-CG2 3.82Å
256F98.9Very high98.7Very high0 Ų049.7 Ų49.70%028%0.277CS..Hα-helixtrans-67.5-47.3-179-75.4-59.3000112.2F252 R253 A254 D258 R259 G260 Y261 F311 V334 A336 L353 Y511F252-F256 HydrophobicContact CD1-CE2 4.45Å; F252-F256 WeakPolarHBondContact O-CD2 3.14Å; F252-F256 PolarHBondContact O-N 3.47Å; R253-F256 PolarHBondContact O-N 2.83Å; A254-F256 PolarHBondContact O-N 3.49Å; F256-D258 VanDerWaalsContact C-N 3.34Å; F256-D258 PolarHBondContact O-N 2.98Å; F256-R259 CarbonylContact O-C 3.54Å; F256-R259 PolarHBondContact O-N 3.2Å; F256-R259 VanDerWaalsContact O-N 3.09Å; F256-G260 PolarHBondContact O-N 3.29Å; F256-Y261 HydrophobicContact CB-CG 4.4Å; F256-Y261 AromaticContact CD1-CD1 3.72Å; F256-Y261 HydrophobicContact CD1-CD1 3.72Å; F256-Y261 HydrophobicContact CD1-CD2 4.09Å; F256-Y261 HydrophobicContact CD1-CE1 4.07Å; F256-Y261 HydrophobicContact CD1-CE2 4.39Å; F256-Y261 AromaticContact CD1-CG 3.74Å; F256-Y261 HydrophobicContact CD1-CG 3.74Å; F256-Y261 HydrophobicContact CE1-CD1 4.15Å; F256-Y261 HydrophobicContact CE1-CE1 4.13Å; F256-Y261 WeakPolarHBondContact O-CB 3.3Å; F256-Y261 PolarHBondContact O-N 3.38Å; F256-Y261 VanDerWaalsContact O-N 3.08Å; F256-F311 HydrophobicContact CB-CD1 3.65Å; F256-F311 HydrophobicContact CB-CD2 4.18Å; F256-F311 HydrophobicContact CB-CE1 3.47Å; F256-F311 VanDerWaalsContact CB-CE1 3.47Å; F256-F311 HydrophobicContact CB-CE2 4.06Å; F256-F311 HydrophobicContact CB-CG 3.98Å; F256-F311 HydrophobicContact CB-CZ 3.69Å; F256-F311 HydrophobicContact CD1-CB 4.03Å; F256-F311 HydrophobicContact CD1-CD1 4.25Å; F256-F311 HydrophobicContact CD1-CD2 4.48Å; F256-F311 HydrophobicContact CD1-CG 4Å; F256-F311 HydrophobicContact CD2-CB 4.23Å; F256-F311 HydrophobicContact CD2-CD1 4.22Å; F256-F311 AromaticContact CD2-CD2 3.28Å; F256-F311 HydrophobicContact CD2-CD2 3.28Å; F256-F311 HydrophobicContact CD2-CE1 4.41Å; F256-F311 AromaticContact CD2-CE2 3.55Å; F256-F311 HydrophobicContact CD2-CE2 3.55Å; F256-F311 AromaticContact CD2-CG 3.65Å; F256-F311 HydrophobicContact CD2-CG 3.65Å; F256-F311 HydrophobicContact CD2-CZ 4.1Å; F256-F311 HydrophobicContact CE1-CB 4.02Å; F256-F311 HydrophobicContact CE1-CG 4.4Å; F256-F311 HydrophobicContact CE2-CB 4.23Å; F256-F311 AromaticContact CE2-CD2 3.68Å; F256-F311 HydrophobicContact CE2-CD2 3.68Å; F256-F311 HydrophobicContact CE2-CE2 4.3Å; F256-F311 HydrophobicContact CE2-CG 4.08Å; F256-F311 HydrophobicContact CG-CB 4.14Å; F256-F311 AromaticContact CG-CD1 3.81Å; F256-F311 HydrophobicContact CG-CD1 3.81Å; F256-F311 AromaticContact CG-CD2 3.75Å; F256-F311 HydrophobicContact CG-CD2 3.75Å; F256-F311 HydrophobicContact CG-CE1 4.07Å; F256-F311 HydrophobicContact CG-CE2 4.04Å; F256-F311 AromaticContact CG-CG 3.62Å; F256-F311 HydrophobicContact CG-CG 3.62Å; F256-F311 HydrophobicContact CG-CZ 4.17Å; F256-F311 HydrophobicContact CZ-CB 4.13Å; F256-F311 HydrophobicContact CZ-CD2 4.42Å; F256-F311 HydrophobicContact CZ-CG 4.44Å; F256-V334 HydrophobicContact CE2-CG1 3.7Å; F256-V334 HydrophobicContact CZ-CG1 4.06Å; F256-A336 HydrophobicContact CE1-CB 3.69Å; F256-A336 HydrophobicContact CZ-CB 3.94Å; F256-L353 HydrophobicContact CE1-CD1 4.45Å; F256-L353 HydrophobicContact CE2-CD1 4.29Å; F256-L353 HydrophobicContact CZ-CD1 4Å; F256-L353 HydrophobicContact CZ-CD2 4.47Å; F256-Y511 WeakPolarHBondContact CE1-OH 3.28Å; F256-Y511 HydrophobicContact CZ-CE2 4.4Å
257V98.5Very high98.6Very high90 Ų9049.1 Ų49.155%0.54527%0.272SS..Hα-helixtrans-59.1-44.6179.1169.80000111.2R253 R259 G260R253-V257 WeakPolarHBondContact O-CB 3.39Å; R253-V257 VanDerWaalsContact O-CG2 3.29Å; R253-V257 WeakPolarHBondContact O-CG2 3.49Å; R253-V257 PolarHBondContact O-N 2.73Å; V257-R259 PolarHBondContact O-N 2.81Å; V257-G260 PolarHBondContact O-N 3.37Å
258D98.7Very high98.6Very high106 Ų10650 Ų5057%0.56728%0.278SS*.Hα-helixtrans-67.1-17.7-179.8-71.2-11.3000113.1A254 F256 R360A254-D258 WeakPolarHBondContact O-CB 3.29Å; A254-D258 PolarHBondContact O-N 3Å; F256-D258 VanDerWaalsContact C-N 3.34Å; F256-D258 PolarHBondContact O-N 2.98Å; D258-R360 IonicContact OD2-CZ 3.53Å; D258-R360 IonicContact OD2-NH1 3.48Å; D258-R360 PolarHBondContact OD2-NH1 2.81Å; D258-R360 IonicContact OD2-NH2 2.67Å; D258-R360 PolarHBondContact OD2-NH2 2.91Å
259R98.7Very high98.5Very high77 Ų7755 Ų5529%0.29130%0.299SS..THydrogen-bonded Turntrans-98.24.3175.6-74.7166.9178.774.5-3.3113.6H255 F256 V257 Y261 D352 D356H255-R259 VanDerWaalsContact CE1-CD 3.47Å; H255-R259 WeakPolarHBondContact CE1-CD 3.42Å; H255-R259 PolarHBondContact CE1-NE 3.37Å; H255-R259 PolarHBondContact CE1-NH1 2.98Å; H255-R259 VanDerWaalsContact CE1-NH1 3.29Å; H255-R259 PolarHBondContact CE1-NH2 3.11Å; H255-R259 PolarHBondContact ND1-NH1 2.74Å; H255-R259 WeakPolarHBondContact NE2-CD 3.37Å; H255-R259 PolarHBondContact O-N 3.2Å; H255-R259 PolarHBondContact O-NH1 3.46Å; F256-R259 CarbonylContact O-C 3.54Å; F256-R259 PolarHBondContact O-N 3.2Å; F256-R259 VanDerWaalsContact O-N 3.09Å; V257-R259 PolarHBondContact O-N 2.81Å; R259-Y261 VanDerWaalsContact C-N 3.35Å; R259-Y261 HydrophobicContact CB-CD2 3.76Å; R259-Y261 HydrophobicContact CB-CE2 3.91Å; R259-D352 IonicContact CZ-OD2 2.95Å; R259-D352 IonicContact NE-OD2 3.96Å; R259-D352 PolarHBondContact NE-OD2 3.44Å; R259-D352 IonicContact NH2-OD1 2.8Å; R259-D352 PolarHBondContact NH2-OD1 3.05Å; R259-D352 IonicContact NH2-OD2 3.52Å; R259-D352 PolarHBondContact NH2-OD2 3.21Å; R259-D356 IonicContact CZ-OD2 2.77Å; R259-D356 IonicContact NH1-OD2 3.02Å; R259-D356 PolarHBondContact NH1-OD2 3.45Å; R259-D356 IonicContact NH2-OD2 3.59Å; R259-D356 PolarHBondContact NH2-OD2 3.3Å
260G98.6Very high98.3Very high57 Ų5753.4 Ų53.459%0.58829%0.291SS*.THydrogen-bonded Turntrans78.714.7177.100000114.7F256 V257F256-G260 PolarHBondContact O-N 3.29Å; V257-G260 PolarHBondContact O-N 3.37Å
261Y98.8Very high98.1Very high13 Ų1354.4 Ų54.45%0.05130%0.296CS..PPolyproline II helixtrans-69.9144.9174-76.5-116.3000111F256 R259 D309 F311 A336 C338 R349F256-Y261 HydrophobicContact CB-CG 4.4Å; F256-Y261 AromaticContact CD1-CD1 3.72Å; F256-Y261 HydrophobicContact CD1-CD1 3.72Å; F256-Y261 HydrophobicContact CD1-CD2 4.09Å; F256-Y261 HydrophobicContact CD1-CE1 4.07Å; F256-Y261 HydrophobicContact CD1-CE2 4.39Å; F256-Y261 AromaticContact CD1-CG 3.74Å; F256-Y261 HydrophobicContact CD1-CG 3.74Å; F256-Y261 HydrophobicContact CE1-CD1 4.15Å; F256-Y261 HydrophobicContact CE1-CE1 4.13Å; F256-Y261 WeakPolarHBondContact O-CB 3.3Å; F256-Y261 PolarHBondContact O-N 3.38Å; F256-Y261 VanDerWaalsContact O-N 3.08Å; R259-Y261 VanDerWaalsContact C-N 3.35Å; R259-Y261 HydrophobicContact CB-CD2 3.76Å; R259-Y261 HydrophobicContact CB-CE2 3.91Å; Y261-D309 CarbonylContact C-O 3.47Å; Y261-D309 VanDerWaalsContact CA-O 3.29Å; Y261-D309 WeakPolarHBondContact CA-O 3.41Å; Y261-D309 HydrophobicContact CD1-CB 3.71Å; Y261-D309 HydrophobicContact CD2-CB 3.95Å; Y261-D309 HydrophobicContact CE1-CB 3.77Å; Y261-D309 HydrophobicContact CE2-CB 4.03Å; Y261-D309 HydrophobicContact CG-CB 3.79Å; Y261-F311 HydrophobicContact CD1-CB 4.32Å; Y261-A336 HydrophobicContact CE1-CB 4.08Å; Y261-C338 PolarHBondContact OH-SG 2.86Å; Y261-R349 PolarHBondContact OH-NH1 3.26Å
262V98.8Very high97.7Very high60 Ų6054.5 Ų54.536%0.36430%0.295SS..EExtended strand (participates in β ladder)trans-94.1123.9173.1179.20000110.5V264 V307 D309 C310 F311V262-V264 HydrophobicContact CG1-CG1 4.29Å; V262-V264 PolarHBondContact O-N 2.98Å; V262-V307 HydrophobicContact CB-CB 4.08Å; V262-V307 HydrophobicContact CB-CG2 4.16Å; V262-V307 HydrophobicContact CG1-CB 4.29Å; V262-V307 HydrophobicContact CG1-CG1 4.39Å; V262-V307 HydrophobicContact CG1-CG2 4.43Å; V262-V307 HydrophobicContact CG2-CB 3.99Å; V262-D309 PolarHBondContact N-O 2.99Å; V262-C310 VanDerWaalsContact O-CA 3.29Å; V262-C310 WeakPolarHBondContact O-CA 3.39Å; V262-C310 WeakPolarHBondContact O-CB 3.45Å; V262-F311 PolarHBondContact O-N 3.1Å
263E98.8Very high97.1Very high79 Ų7956.5 Ų56.537%0.36931%0.305SS..EExtended strand (participates in β ladder)trans-72.9122.7171.7-166.2170.8-166.100109.2R253 F311R253-E263 IonicContact CZ-OE1 3.51Å; R253-E263 IonicContact NE-OE1 3.87Å; R253-E263 PolarHBondContact NE-OE1 3.15Å; R253-E263 IonicContact NE-OE2 3.85Å; R253-E263 IonicContact NH2-OE1 2.8Å; E263-F311 CarbonylContact C-O 3.59Å; E263-F311 VanDerWaalsContact CA-CE1 3.48Å; E263-F311 WeakPolarHBondContact CA-O 3.12Å; E263-F311 HydrophobicContact CB-CD1 4.22Å; E263-F311 HydrophobicContact CB-CE1 3.5Å; E263-F311 VanDerWaalsContact CB-CE1 3.5Å; E263-F311 HydrophobicContact CB-CE2 4.23Å; E263-F311 HydrophobicContact CB-CZ 3.51Å; E263-F311 HydrophobicContact CG-CE1 4.11Å; E263-F311 HydrophobicContact CG-CE2 3.89Å; E263-F311 HydrophobicContact CG-CZ 3.66Å
264V98.4Very high96.3Very high24 Ų2452.6 Ų52.615%0.14529%0.291CS..  trans-115.7153.7176.8-61.10000110.9V262 P266 L300 C310 F311 C312V262-V264 HydrophobicContact CG1-CG1 4.29Å; V262-V264 PolarHBondContact O-N 2.98Å; V264-P266 VanDerWaalsContact O-CD 3.24Å; V264-P266 WeakPolarHBondContact O-CD 2.87Å; V264-L300 HydrophobicContact CG2-CD2 3.2Å; V264-C310 HydrophobicContact CG1-CB 4.3Å; V264-F311 PolarHBondContact N-O 3.23Å; V264-C312 HydrophobicContact CG2-CB 4.31Å; V264-C312 WeakPolarHBondContact O-CB 3.29Å
265L98.4Very high95.4Very high159 Ų15954.8 Ų54.883%0.83230%0.297SS*.  trans-116.780.8-175.9-60.2179.3000110.1
266P98.2Very high94.5Very high18 Ų1856.1 Ų56.112%0.11731%0.31CS..  trans-70.4155.6-176.729-34.6000112.1V264 S296 Y299 C312 T314V264-P266 VanDerWaalsContact O-CD 3.24Å; V264-P266 WeakPolarHBondContact O-CD 2.87Å; P266-S296 VanDerWaalsContact CG-CB 3.4Å; P266-S296 WeakPolarHBondContact CG-OG 3.19Å; P266-Y299 HydrophobicContact CB-CD2 4.14Å; P266-Y299 HydrophobicContact CB-CG 4.34Å; P266-C312 HydrophobicContact CG-CB 4.01Å; P266-T314 HydrophobicContact CG-CG2 4.12Å
267P98.1Very high93.4Very high62 Ų6260.2 Ų60.240%0.40334%0.339SS..  trans-67.1145.4176.130.2-35.3000111.1Y299P267-Y299 HydrophobicContact CG-CD1 4.35Å; P267-Y299 HydrophobicContact CG-CD2 4.11Å; P267-Y299 HydrophobicContact CG-CE1 3.95Å; P267-Y299 HydrophobicContact CG-CE2 3.67Å; P267-Y299 HydrophobicContact CG-CG 4.43Å
268T97.5Very high92.4Very high34 Ų3460.5 Ų60.521%0.20935%0.351CS..SBendtrans-105.1-12.9177.252.80000113.5M292 S293T268-M292 CarbonylContact O-C 3.58Å; T268-M292 WeakPolarHBondContact O-CA 3.31Å; T268-S293 PolarHBondContact O-N 3.09Å
269F96.5Very high91.7Very high105 Ų10557 Ų5746%0.46133%0.333SS..EExtended strand (participates in β ladder)trans-95.9124165.4-58.5-66.1000108.4L283 F291 M292F269-L283 HydrophobicContact CD1-CD1 3.51Å; F269-L283 HydrophobicContact CD1-CD2 3.86Å; F269-L283 HydrophobicContact CD1-CG 4.35Å; F269-L283 HydrophobicContact CE1-CD1 3.62Å; F269-L283 HydrophobicContact CE1-CD2 4.29Å; F269-L283 HydrophobicContact CG-CD1 4.48Å; F269-F291 CarbonylContact C-O 3.29Å; F269-F291 WeakPolarHBondContact CA-O 3.43Å; F269-M292 HydrophobicContact CD1-CE 4.48Å; F269-M292 HydrophobicContact CD1-SD 3.58Å; F269-M292 VanDerWaalsContact CD1-SD 3.58Å; F269-M292 HydrophobicContact CE1-CE 4.06Å; F269-M292 HydrophobicContact CE1-SD 3.34Å; F269-M292 WeakPolarHBondContact CE1-SD 3.47Å; F269-M292 HydrophobicContact CZ-SD 4.42Å
270V95.5Very high91.2Very high7 Ų754.5 Ų54.54%0.04233%0.326CS..EExtended strand (participates in β ladder)trans-133.4158.4-172.2-57.90000111T272 A290 F291 Y299V270-T272 VanDerWaalsContact CG2-O 3.31Å; V270-T272 WeakPolarHBondContact CG2-O 3.35Å; V270-A290 CarbonylContact O-C 3.56Å; V270-A290 WeakPolarHBondContact O-CA 3.37Å; V270-F291 HydrophobicContact CG2-CB 4.15Å; V270-F291 PolarHBondContact N-O 3.49Å; V270-F291 PolarHBondContact O-N 3.38Å; V270-Y299 HydrophobicContact CG1-CE2 3.78Å; V270-Y299 WeakPolarHBondContact CG1-OH 3.19Å
271Q93.4Very high91Very high118 Ų11855.5 Ų55.555%0.55131%0.314SS*.SBendtrans-111.210.4170.5-71.7176.6-31.300111.8E288Q271-E288 PolarHBondContact NE2-OE2 2.94Å
272T90.6Very high90.8Very high10 Ų1059.2 Ų59.26%0.06134%0.342CS..SBendtrans-122.1163-178.251.10000111V270 A493 Y494 W496V270-T272 VanDerWaalsContact CG2-O 3.31Å; V270-T272 WeakPolarHBondContact CG2-O 3.35Å; T272-A493 HydrophobicContact CG2-CB 4.16Å; T272-Y494 HydrophobicContact CG2-CD1 3.93Å; T272-Y494 HydrophobicContact CG2-CD2 4.38Å; T272-Y494 HydrophobicContact CG2-CE1 3.61Å; T272-Y494 HydrophobicContact CG2-CE2 4.08Å; T272-Y494 HydrophobicContact CG2-CG 4.29Å; T272-W496 HydrophobicContact CG2-CZ2 4.04Å
273Q85.9Confident90.7Very high43 Ų4358.5 Ų58.520%0.20134%0.336CS..  trans-111.2154.4173.559.5177.4-3.700110L280 T489 Y494Q273-L280 HydrophobicContact CB-CD1 3.82Å; Q273-T489 PolarHBondContact NE2-OG1 2.67Å; Q273-Y494 WeakPolarHBondContact CG-OH 3.48Å; Q273-Y494 PolarHBondContact N-OH 3.24Å; Q273-Y494 PolarHBondContact O-OH 3.31Å; Q273-Y494 VanDerWaalsContact O-OH 3.07Å
274V82.2Confident90.6Very high11 Ų1160.6 Ų60.67%0.06735%0.35CS..SBendtrans-124.1-50.5177.4-1730000110.7L298 Y443V274-L298 HydrophobicContact CG1-CD2 4.43Å; V274-L298 HydrophobicContact CG1-CG 4.22Å; V274-L298 HydrophobicContact CG2-CD1 3.81Å; V274-L298 HydrophobicContact CG2-CG 3.92Å; V274-Y443 HydrophobicContact CG1-CE1 3.96Å
275E80.4Confident90.5Very high76 Ų7664.5 Ų64.536%0.35536%0.362SS..SBendtrans-106.925.7-171.7-61.2-73-179.900111.8Q294 Y443E275-Q294 HydrophobicContact CB-CB 4.34Å; E275-Q294 HydrophobicContact CG-CB 4.28Å; E275-Y443 PolarHBondContact OE1-OH 3.05Å; E275-Y443 VanDerWaalsContact OE1-OH 3.07Å
276G79Confident90.4Very high29 Ų2965.8 Ų65.830%0.29936%0.361SS..  trans90.8153.9-17600000115A278 Q294G276-A278 PolarHBondContact O-N 3.26Å; G276-Q294 PolarHBondContact O-NE2 3.34Å; G276-Q294 PolarHBondContact O-OE1 2.83Å
277S75.7Confident90.3Very high86 Ų8667.8 Ų67.860%0.60139%0.386SS*.G310 helixtrans-73.1-25.3-17051.60000114.3T279 L280S277-T279 PolarHBondContact O-N 3.43Å; S277-T279 VanDerWaalsContact O-N 3.09Å; S277-L280 PolarHBondContact O-N 3.07Å
278A77.8Confident90.2Very high96 Ų9670.1 Ų70.179%0.79339%0.391SS*.G310 helixtrans-66.1-17.5-167.500000114.4G276G276-A278 PolarHBondContact O-N 3.26Å
279T83.7Confident90Very high32 Ų3273.1 Ų73.120%0.19641%0.409CS..G310 helixtrans-12321.9-172.967.30000113.5S277 Q294 A319 E320S277-T279 PolarHBondContact O-N 3.43Å; S277-T279 VanDerWaalsContact O-N 3.09Å; T279-Q294 PolarHBondContact OG1-NE2 3.47Å; T279-A319 WeakPolarHBondContact O-CB 3.24Å; T279-A319 PolarHBondContact O-N 2.9Å; T279-E320 HydrophobicContact CG2-CG 3.64Å
280L89.5Confident90Very high26 Ų2668.2 Ų68.214%0.13639%0.389CS..  trans-84.3138.5173.4-74.3167.4000112.4Q273 S277 F291 M292 Q294Q273-L280 HydrophobicContact CB-CD1 3.82Å; S277-L280 PolarHBondContact O-N 3.07Å; L280-F291 HydrophobicContact CB-CB 4.26Å; L280-F291 HydrophobicContact CB-CD1 3.76Å; L280-F291 HydrophobicContact CB-CE1 4.48Å; L280-F291 HydrophobicContact CB-CG 4.22Å; L280-F291 HydrophobicContact CD1-CB 4.31Å; L280-F291 HydrophobicContact CD1-CD1 4.11Å; L280-F291 HydrophobicContact CD1-CD2 4.39Å; L280-F291 HydrophobicContact CD1-CG 4.01Å; L280-F291 HydrophobicContact CD2-CB 3.95Å; L280-F291 HydrophobicContact CG-CB 4.42Å; L280-F291 HydrophobicContact CG-CD1 4.46Å; L280-F291 HydrophobicContact CG-CG 4.5Å; L280-M292 WeakPolarHBondContact CD2-O 3.37Å; L280-Q294 VanDerWaalsContact CD2-CD 3.49Å; L280-Q294 HydrophobicContact CD2-CG 3.64Å; L280-Q294 HydrophobicContact CG-CG 4.37Å
281F94Very high90Very high78 Ų7870.6 Ų70.634%0.34240%0.398SS..  trans-83.3115.4163.7-76.9-76000109.3F291 M292 R318 A319F281-F291 CarbonylContact O-C 3.58Å; F281-F291 VanDerWaalsContact O-CA 3.22Å; F281-F291 WeakPolarHBondContact O-CA 3.3Å; F281-M292 HydrophobicContact CB-CB 4.16Å; F281-M292 HydrophobicContact CB-CG 3.97Å; F281-M292 PolarHBondContact O-N 3.28Å; F281-R318 WeakPolarHBondContact CE2-O 3.36Å; F281-A319 HydrophobicContact CD1-CB 3.94Å; F281-A319 HydrophobicContact CD2-CB 3.85Å; F281-A319 HydrophobicContact CE1-CB 3.92Å; F281-A319 HydrophobicContact CE2-CB 3.85Å; F281-A319 HydrophobicContact CG-CB 3.9Å; F281-A319 HydrophobicContact CZ-CB 3.88Å
282S94.9Very high90.1Very high90 Ų9066.4 Ų66.463%0.62938%0.379SS*.EExtended strand (participates in β ladder)trans-78.6143.6172.963.10000111.9A290S282-A290 CarbonylContact C-O 3.55Å; S282-A290 WeakPolarHBondContact CA-O 3.32Å
283L95.4Very high90.4Very high45 Ų4566 Ų6624%0.23638%0.377CS..EExtended strand (participates in β ladder)trans-136.9157.7170.164.3138.2000111.3F269 A290 F291 M292F269-L283 HydrophobicContact CD1-CD1 3.51Å; F269-L283 HydrophobicContact CD1-CD2 3.86Å; F269-L283 HydrophobicContact CD1-CG 4.35Å; F269-L283 HydrophobicContact CE1-CD1 3.62Å; F269-L283 HydrophobicContact CE1-CD2 4.29Å; F269-L283 HydrophobicContact CG-CD1 4.48Å; L283-A290 HydrophobicContact CD1-CB 4.42Å; L283-A290 HydrophobicContact CD2-CB 4.31Å; L283-A290 HydrophobicContact CG-CB 4.1Å; L283-A290 PolarHBondContact N-O 2.91Å; L283-A290 PolarHBondContact O-N 3.21Å; L283-F291 VanDerWaalsContact CD2-C 3.41Å; L283-M292 HydrophobicContact CD2-CG 4Å; L283-M292 HydrophobicContact CD2-SD 3.78Å
284N97.2Very high90.8Very high124 Ų12464.1 Ų64.166%0.66337%0.368SS*.EExtended strand (participates in β ladder)trans-84.9116.7167.5-176.4-67.3000108.8F286 G287N284-F286 PolarHBondContact OD1-N 3.16Å; N284-G287 PolarHBondContact OD1-N 3.49Å
285Y96.5Very high91.5Very high105 Ų10563.7 Ų63.741%0.41237%0.365SS..EExtended strand (participates in β ladder)trans-104.986.6173.8-170.1-104.4000109.1G287 E288 A290Y285-G287 VanDerWaalsContact C-N 3.27Å; Y285-G287 PolarHBondContact O-N 3.47Å; Y285-E288 PolarHBondContact N-O 3.11Å; Y285-E288 PolarHBondContact O-N 2.91Å; Y285-A290 HydrophobicContact CG-CB 4.41Å
286F97Very high92.4Very high186 Ų18660 Ų6082%0.81635%0.349SS*.THydrogen-bonded Turntrans52.837.8178.1-56.4-79.6000114.9N284N284-F286 PolarHBondContact OD1-N 3.16Å
287G96.4Very high93.3Very high61 Ų6159.2 Ų59.263%0.62934%0.337SS*.THydrogen-bonded Turntrans101.6-13.8-178.500000114.4N284 Y285N284-G287 PolarHBondContact OD1-N 3.49Å; Y285-G287 VanDerWaalsContact C-N 3.27Å; Y285-G287 PolarHBondContact O-N 3.47Å
288E95Very high94.3Very high111 Ų11155.2 Ų55.252%0.51931%0.309SS..EExtended strand (participates in β ladder)trans-97.1156.1174-57.9-17514800111Q271 Y285Q271-E288 PolarHBondContact NE2-OE2 2.94Å; Y285-E288 PolarHBondContact N-O 3.11Å; Y285-E288 PolarHBondContact O-N 2.91Å
289T94.2Very high95.3Very high96 Ų9652.9 Ų52.959%0.58928%0.28SS*.EExtended strand (participates in β ladder)trans-84.6126171.4-59.40000108.9F291T289-F291 HydrophobicContact CG2-CE1 4.26Å; T289-F291 HydrophobicContact CG2-CE2 4.31Å; T289-F291 HydrophobicContact CG2-CZ 3.86Å
290A95.4Very high96Very high3 Ų351.4 Ų51.43%0.02527%0.271CS..EExtended strand (participates in β ladder)trans-130.6171.2170.700000109.9V270 S282 L283 Y285V270-A290 CarbonylContact O-C 3.56Å; V270-A290 WeakPolarHBondContact O-CA 3.37Å; S282-A290 CarbonylContact C-O 3.55Å; S282-A290 WeakPolarHBondContact CA-O 3.32Å; L283-A290 HydrophobicContact CD1-CB 4.42Å; L283-A290 HydrophobicContact CD2-CB 4.31Å; L283-A290 HydrophobicContact CG-CB 4.1Å; L283-A290 PolarHBondContact N-O 2.91Å; L283-A290 PolarHBondContact O-N 3.21Å; Y285-A290 HydrophobicContact CG-CB 4.41Å
291F95.7Very high96.4Very high56 Ų5650.2 Ų50.225%0.24626%0.264CS..EExtended strand (participates in β ladder)trans-131155-179.4-52.1-83.4000111.3F269 V270 L280 F281 L283 T289F269-F291 CarbonylContact C-O 3.29Å; F269-F291 WeakPolarHBondContact CA-O 3.43Å; V270-F291 HydrophobicContact CG2-CB 4.15Å; V270-F291 PolarHBondContact N-O 3.49Å; V270-F291 PolarHBondContact O-N 3.38Å; L280-F291 HydrophobicContact CB-CB 4.26Å; L280-F291 HydrophobicContact CB-CD1 3.76Å; L280-F291 HydrophobicContact CB-CE1 4.48Å; L280-F291 HydrophobicContact CB-CG 4.22Å; L280-F291 HydrophobicContact CD1-CB 4.31Å; L280-F291 HydrophobicContact CD1-CD1 4.11Å; L280-F291 HydrophobicContact CD1-CD2 4.39Å; L280-F291 HydrophobicContact CD1-CG 4.01Å; L280-F291 HydrophobicContact CD2-CB 3.95Å; L280-F291 HydrophobicContact CG-CB 4.42Å; L280-F291 HydrophobicContact CG-CD1 4.46Å; L280-F291 HydrophobicContact CG-CG 4.5Å; F281-F291 CarbonylContact O-C 3.58Å; F281-F291 VanDerWaalsContact O-CA 3.22Å; F281-F291 WeakPolarHBondContact O-CA 3.3Å; L283-F291 VanDerWaalsContact CD2-C 3.41Å; T289-F291 HydrophobicContact CG2-CE1 4.26Å; T289-F291 HydrophobicContact CG2-CE2 4.31Å; T289-F291 HydrophobicContact CG2-CZ 3.86Å
292M96.7Very high96.7Very high31 Ų3148.6 Ų48.615%0.15326%0.261CS..EExtended strand (participates in β ladder)trans-79.2133.5166.2-56.9-62.8-63.500109.4T268 F269 L280 F281 L283 Y317T268-M292 CarbonylContact O-C 3.58Å; T268-M292 WeakPolarHBondContact O-CA 3.31Å; F269-M292 HydrophobicContact CD1-CE 4.48Å; F269-M292 HydrophobicContact CD1-SD 3.58Å; F269-M292 VanDerWaalsContact CD1-SD 3.58Å; F269-M292 HydrophobicContact CE1-CE 4.06Å; F269-M292 HydrophobicContact CE1-SD 3.34Å; F269-M292 WeakPolarHBondContact CE1-SD 3.47Å; F269-M292 HydrophobicContact CZ-SD 4.42Å; L280-M292 WeakPolarHBondContact CD2-O 3.37Å; F281-M292 HydrophobicContact CB-CB 4.16Å; F281-M292 HydrophobicContact CB-CG 3.97Å; F281-M292 PolarHBondContact O-N 3.28Å; L283-M292 HydrophobicContact CD2-CG 4Å; L283-M292 HydrophobicContact CD2-SD 3.78Å; M292-Y317 HydrophobicContact CB-CD1 4.33Å; M292-Y317 HydrophobicContact CB-CD2 3.6Å; M292-Y317 HydrophobicContact CB-CE2 4.26Å; M292-Y317 HydrophobicContact CB-CG 3.63Å; M292-Y317 HydrophobicContact CE-CD1 4.16Å; M292-Y317 HydrophobicContact CE-CD2 3.91Å; M292-Y317 HydrophobicContact CE-CE1 3.65Å; M292-Y317 HydrophobicContact CE-CE2 3.38Å; M292-Y317 HydrophobicContact CE-CG 4.27Å; M292-Y317 WeakPolarHBondContact CE-OH 3.36Å; M292-Y317 HydrophobicContact CG-CG 4.39Å
293S96.6Very high96.8Very high1 Ų145.9 Ų45.91%0.00724%0.241CC..  trans-62.7132.7-173.9-175.40000113.9T268 S295 S316 Y317T268-S293 PolarHBondContact O-N 3.09Å; S293-S295 PolarHBondContact OG-N 2.69Å; S293-S295 PolarHBondContact OG-O 3.05Å; S293-S316 WeakPolarHBondContact O-CA 3.34Å; S293-Y317 WeakPolarHBondContact O-CD2 3.34Å; S293-Y317 PolarHBondContact O-N 3.19Å
294Q94.7Very high97Very high3 Ų344 Ų441%0.01423%0.232CC..SBendtrans-80.9-29170.3-74.4162.5-37.300112.8E275 G276 T279 L280 S316 Y317E275-Q294 HydrophobicContact CB-CB 4.34Å; E275-Q294 HydrophobicContact CG-CB 4.28Å; G276-Q294 PolarHBondContact O-NE2 3.34Å; G276-Q294 PolarHBondContact O-OE1 2.83Å; T279-Q294 PolarHBondContact OG1-NE2 3.47Å; L280-Q294 VanDerWaalsContact CD2-CD 3.49Å; L280-Q294 HydrophobicContact CD2-CG 3.64Å; L280-Q294 HydrophobicContact CG-CG 4.37Å; Q294-S316 WeakPolarHBondContact O-CB 3.46Å; Q294-S316 PolarHBondContact O-OG 2.67Å; Q294-S316 VanDerWaalsContact O-OG 3.09Å; Q294-Y317 WeakPolarHBondContact CG-O 3.31Å
295S96.8Very high97.1Very high2 Ų242.2 Ų42.21%0.01423%0.227CC..  trans-163.8145-175.5163.10000108.9S293 Q297 E335S293-S295 PolarHBondContact OG-N 2.69Å; S293-S295 PolarHBondContact OG-O 3.05Å; S295-Q297 VanDerWaalsContact OG-CB 3.28Å; S295-Q297 WeakPolarHBondContact OG-CB 3.44Å; S295-Q297 PolarHBondContact OG-N 3.37Å; S295-Q297 VanDerWaalsContact OG-N 3.09Å; S295-E335 WeakPolarHBondContact CA-OE1 3.48Å; S295-E335 VanDerWaalsContact CB-OE1 3.32Å; S295-E335 WeakPolarHBondContact CB-OE1 3.38Å; S295-E335 PolarHBondContact OG-OE1 3.24Å
296S97.9Very high97.2Very high0 Ų041.3 Ų41.30%024%0.241CC..SBendtrans-94.82.5176.8-41.90000112.9P266 L298 Y299 L300 T314 E335P266-S296 VanDerWaalsContact CG-CB 3.4Å; P266-S296 WeakPolarHBondContact CG-OG 3.19Å; S296-L298 VanDerWaalsContact C-N 3.32Å; S296-L298 PolarHBondContact O-N 2.94Å; S296-Y299 WeakPolarHBondContact O-CA 3.48Å; S296-Y299 WeakPolarHBondContact O-CB 3.37Å; S296-Y299 PolarHBondContact O-N 2.84Å; S296-L300 PolarHBondContact O-N 3.18Å; S296-L300 VanDerWaalsContact O-N 3.08Å; S296-T314 VanDerWaalsContact OG-CG2 3.3Å; S296-T314 WeakPolarHBondContact OG-CG2 3.43Å; S296-E335 WeakPolarHBondContact CA-OE2 3.47Å; S296-E335 WeakPolarHBondContact CB-OE2 3.5Å; S296-E335 VanDerWaalsContact N-CD 3.33Å; S296-E335 PolarHBondContact N-OE1 3.48Å; S296-E335 PolarHBondContact N-OE2 2.82Å; S296-E335 PolarHBondContact OG-OE2 3.25Å; S296-E335 VanDerWaalsContact OG-OE2 3.04Å
297Q98.1Very high97.2Very high12 Ų1235.4 Ų35.46%0.05622%0.22CC..Hα-helixtrans-48.3-50.8-174.6-175.7-167.1-69.300112.6S295 Y299 L300 E301 E335 R473S295-Q297 VanDerWaalsContact OG-CB 3.28Å; S295-Q297 WeakPolarHBondContact OG-CB 3.44Å; S295-Q297 PolarHBondContact OG-N 3.37Å; S295-Q297 VanDerWaalsContact OG-N 3.09Å; Q297-Y299 PolarHBondContact O-N 3.28Å; Q297-Y299 VanDerWaalsContact O-N 3.15Å; Q297-L300 WeakPolarHBondContact O-CA 3.44Å; Q297-L300 WeakPolarHBondContact O-CB 3.43Å; Q297-L300 PolarHBondContact O-N 2.92Å; Q297-E301 PolarHBondContact NE2-OE1 2.78Å; Q297-E301 PolarHBondContact O-N 3.03Å; Q297-E335 PolarHBondContact N-OE1 3.47Å; Q297-R473 VanDerWaalsContact OE1-NH2 3.07Å
298L97Very high97.3Very high2 Ų233.7 Ų33.71%0.0120%0.203CC..Hα-helixtrans-59.5-32.8-176.8-53.8-172.9000112V274 S296 T302 Y494 W496 Y497V274-L298 HydrophobicContact CG1-CD2 4.43Å; V274-L298 HydrophobicContact CG1-CG 4.22Å; V274-L298 HydrophobicContact CG2-CD1 3.81Å; V274-L298 HydrophobicContact CG2-CG 3.92Å; S296-L298 VanDerWaalsContact C-N 3.32Å; S296-L298 PolarHBondContact O-N 2.94Å; L298-T302 WeakPolarHBondContact O-CG2 3.44Å; L298-Y494 HydrophobicContact CD1-CD1 4.07Å; L298-Y494 HydrophobicContact CD1-CE1 3.84Å; L298-W496 HydrophobicContact CB-CH2 3.81Å; L298-W496 HydrophobicContact CB-CZ3 3.85Å; L298-W496 HydrophobicContact CD1-CH2 4.32Å; L298-Y497 HydrophobicContact CB-CD2 3.92Å; L298-Y497 HydrophobicContact CB-CE2 4.08Å; L298-Y497 HydrophobicContact CD2-CD2 4.01Å; L298-Y497 HydrophobicContact CD2-CE1 4.28Å; L298-Y497 HydrophobicContact CD2-CE2 3.47Å; L298-Y497 VanDerWaalsContact CD2-CE2 3.47Å; L298-Y497 HydrophobicContact CG-CD2 4.45Å; L298-Y497 HydrophobicContact CG-CE2 4.32Å
299Y98.4Very high97.5Very high47 Ų4730 Ų3018%0.18419%0.187CC..Hα-helixtrans-74.4-40.1174.5-62.4-62.8000111.9P266 P267 V270 S296 Q297 E301 T302 C303 W496P266-Y299 HydrophobicContact CB-CD2 4.14Å; P266-Y299 HydrophobicContact CB-CG 4.34Å; P267-Y299 HydrophobicContact CG-CD1 4.35Å; P267-Y299 HydrophobicContact CG-CD2 4.11Å; P267-Y299 HydrophobicContact CG-CE1 3.95Å; P267-Y299 HydrophobicContact CG-CE2 3.67Å; P267-Y299 HydrophobicContact CG-CG 4.43Å; V270-Y299 HydrophobicContact CG1-CE2 3.78Å; V270-Y299 WeakPolarHBondContact CG1-OH 3.19Å; S296-Y299 WeakPolarHBondContact O-CA 3.48Å; S296-Y299 WeakPolarHBondContact O-CB 3.37Å; S296-Y299 PolarHBondContact O-N 2.84Å; Q297-Y299 PolarHBondContact O-N 3.28Å; Q297-Y299 VanDerWaalsContact O-N 3.15Å; Y299-E301 VanDerWaalsContact C-N 3.28Å; Y299-E301 PolarHBondContact O-N 2.8Å; Y299-T302 WeakPolarHBondContact O-CB 2.88Å; Y299-T302 PolarHBondContact O-N 3.41Å; Y299-T302 PolarHBondContact O-OG1 2.94Å; Y299-C303 PolarHBondContact O-N 3.36Å; Y299-C303 PolarHBondContact O-SG 2.83Å; Y299-W496 HydrophobicContact CD1-CH2 4.13Å; Y299-W496 HydrophobicContact CD1-CZ3 4.05Å; Y299-W496 AromaticContact CE1-CH2 3.78Å; Y299-W496 HydrophobicContact CE1-CH2 3.78Å; Y299-W496 HydrophobicContact CE1-CZ2 4.08Å; Y299-W496 HydrophobicContact CE1-CZ3 4.11Å
300L98.7Very high97.7Very high1 Ų125.5 Ų25.51%0.00516%0.159CC..Hα-helixtrans-58.8-40.5174.9-61.1-175.7000111.7V264 S296 Q297 T302 C303 I304 C312 E335 E337V264-L300 HydrophobicContact CG2-CD2 3.2Å; S296-L300 PolarHBondContact O-N 3.18Å; S296-L300 VanDerWaalsContact O-N 3.08Å; Q297-L300 WeakPolarHBondContact O-CA 3.44Å; Q297-L300 WeakPolarHBondContact O-CB 3.43Å; Q297-L300 PolarHBondContact O-N 2.92Å; L300-T302 PolarHBondContact O-N 3.37Å; L300-C303 WeakPolarHBondContact O-CA 3.17Å; L300-C303 WeakPolarHBondContact O-CB 3.27Å; L300-C303 PolarHBondContact O-N 3.16Å; L300-I304 PolarHBondContact O-N 3.36Å; L300-C312 HydrophobicContact CD2-CB 4.23Å; L300-E335 HydrophobicContact CD1-CB 3.66Å; L300-E337 HydrophobicContact CB-CB 3.66Å; L300-E337 HydrophobicContact CB-CG 4.38Å; L300-E337 HydrophobicContact CD1-CB 4.38Å
301E98.6Very high97.9Very high1 Ų125.3 Ų25.31%0.00516%0.157CC..Hα-helixtrans-60.7-24.3175-69.8-176.3-119.900113.2Q297 Y299 I304 E337 R473 Y497 R501 H508Q297-E301 PolarHBondContact NE2-OE1 2.78Å; Q297-E301 PolarHBondContact O-N 3.03Å; Y299-E301 VanDerWaalsContact C-N 3.28Å; Y299-E301 PolarHBondContact O-N 2.8Å; E301-I304 WeakPolarHBondContact O-CG1 3.12Å; E301-E337 HydrophobicContact CG-CG 3.82Å; E301-R473 HydrophobicContact CG-CG 4.42Å; E301-Y497 HydrophobicContact CB-CD2 4.5Å; E301-Y497 HydrophobicContact CB-CE2 3.95Å; E301-Y497 HydrophobicContact CG-CE2 4.21Å; E301-Y497 WeakPolarHBondContact OE1-CE2 3.2Å; E301-Y497 PolarHBondContact OE1-OH 3.41Å; E301-Y497 WeakPolarHBondContact OE2-CE2 3.29Å; E301-Y497 PolarHBondContact OE2-OH 3.49Å; E301-R501 IonicContact OE2-CZ 3.65Å; E301-R501 IonicContact OE2-NH1 2.8Å; E301-R501 PolarHBondContact OE2-NH1 2.9Å; E301-R501 IonicContact OE2-NH2 3.93Å; E301-R501 PolarHBondContact OE2-NH2 3.01Å; E301-H508 IonicContact OE2-CD2 3.56Å; E301-H508 IonicContact OE2-NE2 2.78Å; E301-H508 PolarHBondContact OE2-NE2 3.29Å
302T98.6Very high98.1Very high44 Ų4422.7 Ų22.727%0.2715%0.146SC..Hα-helixtrans-79.6-19.9172.872.10000113.1L298 Y299 L300 P305 W496 Q500L298-T302 WeakPolarHBondContact O-CG2 3.44Å; Y299-T302 WeakPolarHBondContact O-CB 2.88Å; Y299-T302 PolarHBondContact O-N 3.41Å; Y299-T302 PolarHBondContact O-OG1 2.94Å; L300-T302 PolarHBondContact O-N 3.37Å; T302-P305 WeakPolarHBondContact O-CD 3.15Å; T302-W496 HydrophobicContact CG2-CE3 3.69Å; T302-W496 HydrophobicContact CG2-CZ3 4.11Å; T302-Q500 HydrophobicContact CG2-CG 4.25Å
303C98.7Very high98.2Very high32 Ų3222.2 Ų22.222%0.21614%0.144CC..Hα-helixtrans-84.7-31.1-177.9-64.40000112.2Y299 L300 P305 A306 V307 C310Y299-C303 PolarHBondContact O-N 3.36Å; Y299-C303 PolarHBondContact O-SG 2.83Å; L300-C303 WeakPolarHBondContact O-CA 3.17Å; L300-C303 WeakPolarHBondContact O-CB 3.27Å; L300-C303 PolarHBondContact O-N 3.16Å; C303-P305 VanDerWaalsContact C-N 3.34Å; C303-A306 PolarHBondContact O-N 3.28Å; C303-V307 HydrophobicContact CB-CG2 3.94Å; C303-V307 WeakPolarHBondContact O-CG2 3.49Å; C303-V307 PolarHBondContact O-N 3Å; C303-C310 HydrophobicContact CB-CB 4.44Å
304I98.7Very high98.2Very high7 Ų723.7 Ų23.74%0.03615%0.153CC..Hα-helixtrans-57.1-33.4-173.267.6179.9000115.1L300 E301 A306 G308 E337 P339 H508L300-I304 PolarHBondContact O-N 3.36Å; E301-I304 WeakPolarHBondContact O-CG1 3.12Å; I304-A306 PolarHBondContact O-N 2.95Å; I304-G308 WeakPolarHBondContact CA-O 3.42Å; I304-G308 WeakPolarHBondContact O-CA 3.27Å; I304-G308 PolarHBondContact O-N 2.87Å; I304-G308 VanDerWaalsContact O-N 3.1Å; I304-E337 HydrophobicContact CG2-CB 3.95Å; I304-E337 HydrophobicContact CG2-CG 3.93Å; I304-P339 HydrophobicContact CB-CB 4.07Å; I304-P339 HydrophobicContact CB-CG 4.03Å; I304-P339 HydrophobicContact CD1-CB 4.1Å; I304-P339 HydrophobicContact CG1-CB 4.31Å; I304-H508 HydrophobicContact CD1-CB 3.55Å; I304-H508 VanDerWaalsContact CD1-CG 3.47Å
305P98.6Very high98.3Very high85 Ų8527.4 Ų27.455%0.55217%0.167SC*.Hα-helixtrans-72-18.8175.6-17.234.3000113.3T302 C303T302-P305 WeakPolarHBondContact O-CD 3.15Å; C303-P305 VanDerWaalsContact C-N 3.34Å
306A98.6Very high98.4Very high87 Ų8727.3 Ų27.372%0.71917%0.166SC*.Hα-helixtrans-100.8-39.5-175.500000113.2C303 I304C303-A306 PolarHBondContact O-N 3.28Å; I304-A306 PolarHBondContact O-N 2.95Å
307V98.5Very high98.3Very high61 Ų6129.2 Ų29.237%0.3717%0.173SC..Hα-helixtrans-121.4-1-173.1-61.50000114.1V262 C303 C310V262-V307 HydrophobicContact CB-CB 4.08Å; V262-V307 HydrophobicContact CB-CG2 4.16Å; V262-V307 HydrophobicContact CG1-CB 4.29Å; V262-V307 HydrophobicContact CG1-CG1 4.39Å; V262-V307 HydrophobicContact CG1-CG2 4.43Å; V262-V307 HydrophobicContact CG2-CB 3.99Å; C303-V307 HydrophobicContact CB-CG2 3.94Å; C303-V307 WeakPolarHBondContact O-CG2 3.49Å; C303-V307 PolarHBondContact O-N 3Å; V307-C310 HydrophobicContact CG2-CB 3.87Å
308G98.7Very high98.1Very high26 Ų2631.2 Ų31.227%0.26818%0.18SC..SBendtrans73.3-136.6-176.200000112.1I304 C310I304-G308 WeakPolarHBondContact CA-O 3.42Å; I304-G308 WeakPolarHBondContact O-CA 3.27Å; I304-G308 PolarHBondContact O-N 2.87Å; I304-G308 VanDerWaalsContact O-N 3.1Å; G308-C310 PolarHBondContact O-N 3.11Å
309D98.9Very high97.8Very high34 Ų3432.3 Ų32.318%0.18219%0.19CC..SBendtrans-58.5123.4175.6-72.1-17.5000110.1Y261 V262 C338 P339 R349Y261-D309 CarbonylContact C-O 3.47Å; Y261-D309 VanDerWaalsContact CA-O 3.29Å; Y261-D309 WeakPolarHBondContact CA-O 3.41Å; Y261-D309 HydrophobicContact CD1-CB 3.71Å; Y261-D309 HydrophobicContact CD2-CB 3.95Å; Y261-D309 HydrophobicContact CE1-CB 3.77Å; Y261-D309 HydrophobicContact CE2-CB 4.03Å; Y261-D309 HydrophobicContact CG-CB 3.79Å; V262-D309 PolarHBondContact N-O 2.99Å; D309-C338 WeakPolarHBondContact OD1-CA 3.36Å; D309-C338 WeakPolarHBondContact OD1-CB 3.41Å; D309-P339 WeakPolarHBondContact OD1-CD 3.39Å; D309-R349 IonicContact OD1-CZ 3.93Å; D309-R349 IonicContact OD1-NH1 3.55Å; D309-R349 IonicContact OD1-NH2 3.64Å; D309-R349 IonicContact OD2-CZ 3.43Å; D309-R349 IonicContact OD2-NH1 3.55Å; D309-R349 PolarHBondContact OD2-NH1 3.15Å; D309-R349 IonicContact OD2-NH2 3.82Å; D309-R349 PolarHBondContact OD2-NH2 2.95Å
310C98.9Very high97Very high0 Ų032.4 Ų32.40%019%0.192CC..EExtended strand (participates in β ladder)trans-135.4157.1-179.468.60000112.5V262 V264 C303 V307 G308 A336 E337V262-C310 VanDerWaalsContact O-CA 3.29Å; V262-C310 WeakPolarHBondContact O-CA 3.39Å; V262-C310 WeakPolarHBondContact O-CB 3.45Å; V264-C310 HydrophobicContact CG1-CB 4.3Å; C303-C310 HydrophobicContact CB-CB 4.44Å; V307-C310 HydrophobicContact CG2-CB 3.87Å; G308-C310 PolarHBondContact O-N 3.11Å; C310-A336 VanDerWaalsContact O-CA 3.31Å; C310-A336 WeakPolarHBondContact O-CA 3.17Å; C310-E337 PolarHBondContact N-O 3.46Å; C310-E337 VanDerWaalsContact N-O 3.08Å; C310-E337 PolarHBondContact O-N 3.28Å
311F98.9Very high96.2Very high0 Ų041.3 Ų41.30%023%0.231CC..EExtended strand (participates in β ladder)trans-146.3159.7178.580.1-73.6000111.5R253 F256 Y261 V262 E263 V264 I313 E335 A336R253-F311 HydrophobicContact CG-CE2 4.49Å; F256-F311 HydrophobicContact CB-CD1 3.65Å; F256-F311 HydrophobicContact CB-CD2 4.18Å; F256-F311 HydrophobicContact CB-CE1 3.47Å; F256-F311 VanDerWaalsContact CB-CE1 3.47Å; F256-F311 HydrophobicContact CB-CE2 4.06Å; F256-F311 HydrophobicContact CB-CG 3.98Å; F256-F311 HydrophobicContact CB-CZ 3.69Å; F256-F311 HydrophobicContact CD1-CB 4.03Å; F256-F311 HydrophobicContact CD1-CD1 4.25Å; F256-F311 HydrophobicContact CD1-CD2 4.48Å; F256-F311 HydrophobicContact CD1-CG 4Å; F256-F311 HydrophobicContact CD2-CB 4.23Å; F256-F311 HydrophobicContact CD2-CD1 4.22Å; F256-F311 AromaticContact CD2-CD2 3.28Å; F256-F311 HydrophobicContact CD2-CD2 3.28Å; F256-F311 HydrophobicContact CD2-CE1 4.41Å; F256-F311 AromaticContact CD2-CE2 3.55Å; F256-F311 HydrophobicContact CD2-CE2 3.55Å; F256-F311 AromaticContact CD2-CG 3.65Å; F256-F311 HydrophobicContact CD2-CG 3.65Å; F256-F311 HydrophobicContact CD2-CZ 4.1Å; F256-F311 HydrophobicContact CE1-CB 4.02Å; F256-F311 HydrophobicContact CE1-CG 4.4Å; F256-F311 HydrophobicContact CE2-CB 4.23Å; F256-F311 AromaticContact CE2-CD2 3.68Å; F256-F311 HydrophobicContact CE2-CD2 3.68Å; F256-F311 HydrophobicContact CE2-CE2 4.3Å; F256-F311 HydrophobicContact CE2-CG 4.08Å; F256-F311 HydrophobicContact CG-CB 4.14Å; F256-F311 AromaticContact CG-CD1 3.81Å; F256-F311 HydrophobicContact CG-CD1 3.81Å; F256-F311 AromaticContact CG-CD2 3.75Å; F256-F311 HydrophobicContact CG-CD2 3.75Å; F256-F311 HydrophobicContact CG-CE1 4.07Å; F256-F311 HydrophobicContact CG-CE2 4.04Å; F256-F311 AromaticContact CG-CG 3.62Å; F256-F311 HydrophobicContact CG-CG 3.62Å; F256-F311 HydrophobicContact CG-CZ 4.17Å; F256-F311 HydrophobicContact CZ-CB 4.13Å; F256-F311 HydrophobicContact CZ-CD2 4.42Å; F256-F311 HydrophobicContact CZ-CG 4.44Å; Y261-F311 HydrophobicContact CD1-CB 4.32Å; V262-F311 PolarHBondContact O-N 3.1Å; E263-F311 CarbonylContact C-O 3.59Å; E263-F311 VanDerWaalsContact CA-CE1 3.48Å; E263-F311 WeakPolarHBondContact CA-O 3.12Å; E263-F311 HydrophobicContact CB-CD1 4.22Å; E263-F311 HydrophobicContact CB-CE1 3.5Å; E263-F311 VanDerWaalsContact CB-CE1 3.5Å; E263-F311 HydrophobicContact CB-CE2 4.23Å; E263-F311 HydrophobicContact CB-CZ 3.51Å; E263-F311 HydrophobicContact CG-CE1 4.11Å; E263-F311 HydrophobicContact CG-CE2 3.89Å; E263-F311 HydrophobicContact CG-CZ 3.66Å; V264-F311 PolarHBondContact N-O 3.23Å; F311-I313 HydrophobicContact CD2-CG1 4.1Å; F311-I313 HydrophobicContact CE2-CD1 4.18Å; F311-I313 HydrophobicContact CE2-CG1 4.09Å; F311-E335 CarbonylContact C-O 3.52Å; F311-E335 WeakPolarHBondContact CA-O 3.38Å; F311-E335 WeakPolarHBondContact CB-O 3.42Å; F311-A336 HydrophobicContact CB-CB 3.88Å
312C98.8Very high95.2Very high0 Ų042.8 Ų42.80%024%0.241CC..EExtended strand (participates in β ladder)trans-138150.1166.368.70000110.8V264 P266 L300 E335V264-C312 HydrophobicContact CG2-CB 4.31Å; V264-C312 WeakPolarHBondContact O-CB 3.29Å; P266-C312 HydrophobicContact CG-CB 4.01Å; L300-C312 HydrophobicContact CD2-CB 4.23Å; C312-E335 PolarHBondContact N-O 2.88Å; C312-E335 PolarHBondContact O-N 3.41Å
313I98.6Very high94.1Very high21 Ų2148.7 Ų48.711%0.10826%0.258CS..EExtended strand (participates in β ladder)trans-121.692.6167-49.6-179.4000107.5L249 F252 R253 F311 H333 V334L249-I313 HydrophobicContact CD1-CD1 3.78Å; L249-I313 HydrophobicContact CD1-CG2 3.74Å; F252-I313 HydrophobicContact CB-CD1 4.12Å; R253-I313 HydrophobicContact CG-CD1 3.89Å; F311-I313 HydrophobicContact CD2-CG1 4.1Å; F311-I313 HydrophobicContact CE2-CD1 4.18Å; F311-I313 HydrophobicContact CE2-CG1 4.09Å; I313-H333 WeakPolarHBondContact CA-O 3.33Å; I313-V334 HydrophobicContact CD1-CG2 4.21Å; I313-V334 HydrophobicContact CG1-CB 4.5Å; I313-V334 HydrophobicContact CG1-CG1 4.27Å; I313-V334 HydrophobicContact CG1-CG2 4.05Å; I313-V334 HydrophobicContact CG2-CG2 3.89Å
314T97.6Very high93.3Very high32 Ų3249.2 Ų49.220%0.19626%0.261CS..EExtended strand (participates in β ladder)trans-133.1177.1-174.5-167.30000111.3P266 S296 H333P266-T314 HydrophobicContact CG-CG2 4.12Å; S296-T314 VanDerWaalsContact OG-CG2 3.3Å; S296-T314 WeakPolarHBondContact OG-CG2 3.43Å; T314-H333 PolarHBondContact N-O 3.26Å; T314-H333 PolarHBondContact O-N 2.73Å
315R97.7Very high92.6Very high82 Ų8255.4 Ų55.431%0.30928%0.284SS..EExtended strand (participates in β ladder)trans-80.9134.8177.5-63.4-60.9-174.2172.3-6.6111.1Y317 E330 Y331 N332 E516R315-Y317 HydrophobicContact CB-CE1 4.4Å; R315-Y317 HydrophobicContact CB-CE2 3.74Å; R315-Y317 WeakPolarHBondContact CB-OH 3.41Å; R315-E330 HydrophobicContact CG-CG 4.39Å; R315-E330 IonicContact CZ-OE1 2.77Å; R315-E330 IonicContact NE-OE1 2.87Å; R315-E330 PolarHBondContact NE-OE1 2.83Å; R315-Y331 WeakPolarHBondContact CA-O 3.45Å; R315-Y331 WeakPolarHBondContact CD-O 3.44Å; R315-N332 VanDerWaalsContact CZ-CG 3.46Å; R315-N332 VanDerWaalsContact CZ-ND2 3.29Å; R315-N332 PolarHBondContact NE-OD1 3.09Å; R315-N332 VanDerWaalsContact NH1-CG 3.29Å; R315-N332 PolarHBondContact NH1-ND2 3.22Å; R315-N332 PolarHBondContact NH1-OD1 3.26Å; R315-N332 PolarHBondContact NH2-ND2 3.34Å; R315-E516 IonicContact NH1-OE1 3.5Å
316S97.3Very high91.9Very high0 Ų053 Ų530%026%0.264CS..EExtended strand (participates in β ladder)trans-116150.5163.2-71.80000110S293 Q294 Y331 H333S293-S316 WeakPolarHBondContact O-CA 3.34Å; Q294-S316 WeakPolarHBondContact O-CB 3.46Å; Q294-S316 PolarHBondContact O-OG 2.67Å; Q294-S316 VanDerWaalsContact O-OG 3.09Å; S316-Y331 VanDerWaalsContact CB-CZ 3.41Å; S316-Y331 WeakPolarHBondContact CB-OH 3.45Å; S316-Y331 PolarHBondContact N-O 3.07Å; S316-Y331 WeakPolarHBondContact O-CD1 3.3Å; S316-Y331 PolarHBondContact O-N 3.09Å; S316-Y331 VanDerWaalsContact O-N 3.11Å; S316-H333 WeakPolarHBondContact OG-CB 3.37Å; S316-H333 PolarHBondContact OG-ND1 2.74Å
317Y96.9Very high91.4Very high39 Ų3950.4 Ų50.415%0.15324%0.237CC..EExtended strand (participates in β ladder)trans-127.3134-171-53.5-95.8000110.7M292 S293 Q294 R315 S329 E330M292-Y317 HydrophobicContact CB-CD1 4.33Å; M292-Y317 HydrophobicContact CB-CD2 3.6Å; M292-Y317 HydrophobicContact CB-CE2 4.26Å; M292-Y317 HydrophobicContact CB-CG 3.63Å; M292-Y317 HydrophobicContact CE-CD1 4.16Å; M292-Y317 HydrophobicContact CE-CD2 3.91Å; M292-Y317 HydrophobicContact CE-CE1 3.65Å; M292-Y317 HydrophobicContact CE-CE2 3.38Å; M292-Y317 HydrophobicContact CE-CG 4.27Å; M292-Y317 WeakPolarHBondContact CE-OH 3.36Å; M292-Y317 HydrophobicContact CG-CG 4.39Å; S293-Y317 WeakPolarHBondContact O-CD2 3.34Å; S293-Y317 PolarHBondContact O-N 3.19Å; Q294-Y317 WeakPolarHBondContact CG-O 3.31Å; R315-Y317 HydrophobicContact CB-CE1 4.4Å; R315-Y317 HydrophobicContact CB-CE2 3.74Å; R315-Y317 WeakPolarHBondContact CB-OH 3.41Å; Y317-S329 VanDerWaalsContact CA-O 3.24Å; Y317-S329 WeakPolarHBondContact CA-O 3.19Å; Y317-E330 HydrophobicContact CD1-CB 4.07Å; Y317-E330 HydrophobicContact CD1-CG 4.11Å; Y317-E330 HydrophobicContact CE1-CB 4.18Å; Y317-E330 HydrophobicContact CE1-CG 3.75Å
318R92.5Very high91.3Very high54 Ų5448 Ų4820%0.20422%0.222CC..  trans-131.7114.3178.7-64.9-178.7-169.7-166.2-0.6110.1F281 E320 S329 Y331F281-R318 WeakPolarHBondContact CE2-O 3.36Å; R318-E320 HydrophobicContact CB-CG 4.26Å; R318-E320 WeakPolarHBondContact CD-OE1 3.38Å; R318-E320 IonicContact NH1-OE1 2.73Å; R318-E320 PolarHBondContact O-N 3.48Å; R318-S329 PolarHBondContact N-O 2.86Å; R318-S329 WeakPolarHBondContact O-CA 3.48Å; R318-Y331 HydrophobicContact CG-CE1 4.06Å; R318-Y331 PolarHBondContact NE-OH 2.89Å; R318-Y331 PolarHBondContact NH2-OH 3.47Å; R318-Y331 VanDerWaalsContact NH2-OH 3.08Å
319A91Very high91.1Very high26 Ų2647.6 Ų47.622%0.21521%0.214CC..  trans-80.434.3175.300000112.3T279 F281T279-A319 WeakPolarHBondContact O-CB 3.24Å; T279-A319 PolarHBondContact O-N 2.9Å; F281-A319 HydrophobicContact CD1-CB 3.94Å; F281-A319 HydrophobicContact CD2-CB 3.85Å; F281-A319 HydrophobicContact CE1-CB 3.92Å; F281-A319 HydrophobicContact CE2-CB 3.85Å; F281-A319 HydrophobicContact CG-CB 3.9Å; F281-A319 HydrophobicContact CZ-CB 3.88Å
320E82.7Confident91Very high49 Ų4948.7 Ų48.723%0.22922%0.218CC..  trans-66.5133.9175.1-71.9172.9-153.800110.7T279 R318 S322 H327T279-E320 HydrophobicContact CG2-CG 3.64Å; R318-E320 HydrophobicContact CB-CG 4.26Å; R318-E320 WeakPolarHBondContact CD-OE1 3.38Å; R318-E320 IonicContact NH1-OE1 2.73Å; R318-E320 PolarHBondContact O-N 3.48Å; E320-S322 PolarHBondContact O-N 3.43Å; E320-S322 PolarHBondContact OE2-OG 2.87Å; E320-H327 IonicContact OE1-CD2 2.9Å; E320-H327 IonicContact OE2-CD2 3.11Å; E320-H327 PolarHBondContact OE2-CD2 3.28Å; E320-H327 IonicContact OE2-CG 3.11Å; E320-H327 IonicContact OE2-NE2 3.48Å
321K81.8Confident90.9Very high187 Ų18749.5 Ų49.581%0.81322%0.222SC*.  trans-83.344.9175-64.7178.5-177.5172.10111.4M538K321-M538 HydrophobicContact CB-CE 4.33Å; K321-M538 HydrophobicContact CB-SD 3.93Å; K321-M538 HydrophobicContact CG-CE 4.34Å; K321-M538 HydrophobicContact CG-SD 4.37Å
322S76.4Confident90.9Very high32 Ų3251 Ų5122%0.22423%0.23CC..  trans-117.4141.9-174.982.50000111.5E320E320-S322 PolarHBondContact O-N 3.43Å; E320-S322 PolarHBondContact OE2-OG 2.87Å
323R76.4Confident90.9Very high168 Ų16851.6 Ų51.663%0.63423%0.232SC*.  trans-12088.3168.8-76.8-175.1172.4-172.7-3.4108M538R323-M538 HydrophobicContact CG-CB 4.5Å; R323-M538 VanDerWaalsContact CZ-O 3.31Å; R323-M538 PolarHBondContact NE-O 3.46Å; R323-M538 PolarHBondContact NH2-O 3.13Å
324T81.7Confident90.9Very high44 Ų4450.6 Ų50.627%0.2723%0.227SC..  trans-120.8174.2-176.967.90000110.8R326 H327T324-R326 PolarHBondContact O-N 3.14Å; T324-H327 VanDerWaalsContact OG1-CB 3.3Å; T324-H327 WeakPolarHBondContact OG1-CB 3.46Å; T324-H327 PolarHBondContact OG1-N 3.3Å; T324-H327 VanDerWaalsContact OG1-N 3.15Å; T324-H327 PolarHBondContact OG1-ND1 2.97Å
325R83.5Confident91Very high136 Ų13649.3 Ų49.351%0.51322%0.219SC..SBendtrans-72.8-15.7178.9-69.4-178.7-72.9-177-4.4113.6I528R325-I528 VanDerWaalsContact O-CB 3.29Å; R325-I528 WeakPolarHBondContact O-CB 3.4Å; R325-I528 WeakPolarHBondContact O-CG2 3.4Å; R325-I528 PolarHBondContact O-N 2.95Å
326R84.8Confident91Very high36 Ų3645.4 Ų45.414%0.13621%0.205CC..SBendtrans-125.2-7.6-169.873.9176.2-179.1161.911.4116.1T324 E416 E419 E466 R517 I528T324-R326 PolarHBondContact O-N 3.14Å; R326-E416 VanDerWaalsContact CD-OE2 3.22Å; R326-E416 WeakPolarHBondContact CD-OE2 3.22Å; R326-E416 WeakPolarHBondContact CG-OE2 3.14Å; R326-E416 VanDerWaalsContact CZ-CB 3.42Å; R326-E416 VanDerWaalsContact CZ-CG 3.45Å; R326-E416 IonicContact CZ-OE2 3.07Å; R326-E416 VanDerWaalsContact NE-CG 3.35Å; R326-E416 IonicContact NE-OE2 2.72Å; R326-E416 PolarHBondContact NE-OE2 3.18Å; R326-E419 IonicContact NH1-OE1 3.58Å; R326-E419 PolarHBondContact NH1-OE1 2.81Å; R326-E466 IonicContact NH1-OE2 2.92Å; R326-R517 PolarHBondContact O-NE 3.23Å; R326-I528 WeakPolarHBondContact O-CD1 3.36Å
327H88.7Confident91.1Very high32 Ų3245.5 Ų45.515%0.14821%0.205CC..  trans-103.3135.6-178.9-63.393.3000111.6E320 T324 R517E320-H327 IonicContact OE1-CD2 2.9Å; E320-H327 IonicContact OE2-CD2 3.11Å; E320-H327 PolarHBondContact OE2-CD2 3.28Å; E320-H327 IonicContact OE2-CG 3.11Å; E320-H327 IonicContact OE2-NE2 3.48Å; T324-H327 VanDerWaalsContact OG1-CB 3.3Å; T324-H327 WeakPolarHBondContact OG1-CB 3.46Å; T324-H327 PolarHBondContact OG1-N 3.3Å; T324-H327 VanDerWaalsContact OG1-N 3.15Å; T324-H327 PolarHBondContact OG1-ND1 2.97Å; H327-R517 PolarHBondContact NE2-NH2 3.38Å
328L94.6Very high91.2Very high11 Ų1143.7 Ų43.76%0.05820%0.198CC..  trans-125152.1172.6-67170.3000107.9E330 E516 I528 P535 R536 F537L328-E330 WeakPolarHBondContact CB-O 3.3Å; L328-E516 HydrophobicContact CD1-CB 4.06Å; L328-E516 HydrophobicContact CD1-CG 3.98Å; L328-I528 HydrophobicContact CD1-CD1 3.93Å; L328-I528 HydrophobicContact CD1-CG1 4.03Å; L328-I528 HydrophobicContact CD1-CG2 4.46Å; L328-I528 HydrophobicContact CD2-CG2 4Å; L328-I528 HydrophobicContact CG-CD1 4.16Å; L328-I528 HydrophobicContact CG-CG1 4.4Å; L328-I528 HydrophobicContact CG-CG2 3.98Å; L328-P535 HydrophobicContact CD2-CB 4.06Å; L328-R536 CarbonylContact C-O 3.57Å; L328-R536 WeakPolarHBondContact CA-O 3.43Å; L328-F537 HydrophobicContact CD2-CD1 4.44Å
329S95.3Very high91.5Very high16 Ų1641.7 Ų41.711%0.11219%0.192CC..SBendtrans-79.5-21.7172.6-64.80000113Y317 R318 R536 F537Y317-S329 VanDerWaalsContact CA-O 3.24Å; Y317-S329 WeakPolarHBondContact CA-O 3.19Å; R318-S329 PolarHBondContact N-O 2.86Å; R318-S329 WeakPolarHBondContact O-CA 3.48Å; S329-R536 PolarHBondContact N-O 3.36Å; S329-F537 WeakPolarHBondContact OG-CA 3.42Å
330E97Very high91.8Very high57 Ų5748.3 Ų48.327%0.26622%0.216SC..EExtended strand (participates in β ladder)trans-138.1125.8173.2176.6-169.1-177.200107.2R315 Y317 L328 R536R315-E330 HydrophobicContact CG-CG 4.39Å; R315-E330 IonicContact CZ-OE1 2.77Å; R315-E330 IonicContact NE-OE1 2.87Å; R315-E330 PolarHBondContact NE-OE1 2.83Å; Y317-E330 HydrophobicContact CD1-CB 4.07Å; Y317-E330 HydrophobicContact CD1-CG 4.11Å; Y317-E330 HydrophobicContact CE1-CB 4.18Å; Y317-E330 HydrophobicContact CE1-CG 3.75Å; L328-E330 WeakPolarHBondContact CB-O 3.3Å; E330-R536 HydrophobicContact CB-CB 3.95Å; E330-R536 HydrophobicContact CB-CG 4.17Å; E330-R536 WeakPolarHBondContact OE2-CG 3.47Å
331Y97.4Very high92.6Very high17 Ų1746.9 Ų46.97%0.06721%0.21CC..EExtended strand (participates in β ladder)trans-142159.6178.866.7-80.4000110.5R315 S316 R318 H333 E516R315-Y331 WeakPolarHBondContact CA-O 3.45Å; R315-Y331 WeakPolarHBondContact CD-O 3.44Å; S316-Y331 VanDerWaalsContact CB-CZ 3.41Å; S316-Y331 WeakPolarHBondContact CB-OH 3.45Å; S316-Y331 PolarHBondContact N-O 3.07Å; S316-Y331 WeakPolarHBondContact O-CD1 3.3Å; S316-Y331 PolarHBondContact O-N 3.09Å; S316-Y331 VanDerWaalsContact O-N 3.11Å; R318-Y331 HydrophobicContact CG-CE1 4.06Å; R318-Y331 PolarHBondContact NE-OH 2.89Å; R318-Y331 PolarHBondContact NH2-OH 3.47Å; R318-Y331 VanDerWaalsContact NH2-OH 3.08Å; Y331-H333 HydrophobicContact CD2-CB 4.22Å; Y331-H333 HydrophobicContact CE2-CB 3.68Å; Y331-H333 AromaticContact CE2-CD2 3.77Å; Y331-H333 AromaticContact CE2-CG 3.51Å; Y331-H333 AromaticContact CE2-ND1 3.9Å; Y331-H333 AromaticContact CZ-ND1 3.95Å; Y331-H333 PolarHBondContact OH-CE1 3Å; Y331-H333 PolarHBondContact OH-ND1 3.28Å; Y331-E516 WeakPolarHBondContact CB-OE2 3.44Å
332N98.3Very high93.4Very high32 Ų3242.3 Ų42.317%0.17119%0.194CC..EExtended strand (participates in β ladder)trans-82.5120.1171.2-67.8-73.7000108.4R315 F515 E516R315-N332 VanDerWaalsContact CZ-CG 3.46Å; R315-N332 VanDerWaalsContact CZ-ND2 3.29Å; R315-N332 PolarHBondContact NE-OD1 3.09Å; R315-N332 VanDerWaalsContact NH1-CG 3.29Å; R315-N332 PolarHBondContact NH1-ND2 3.22Å; R315-N332 PolarHBondContact NH1-OD1 3.26Å; R315-N332 PolarHBondContact NH2-ND2 3.34Å; N332-F515 HydrophobicContact CB-CB 3.8Å; N332-F515 HydrophobicContact CB-CD1 3.96Å; N332-F515 HydrophobicContact CB-CG 4.24Å; N332-F515 WeakPolarHBondContact O-CB 3.48Å; N332-F515 PolarHBondContact O-N 3.21Å; N332-E516 PolarHBondContact N-OE1 2.76Å; N332-E516 PolarHBondContact N-OE2 3.08Å; N332-E516 PolarHBondContact ND2-OE1 3.34Å
333H98.4Very high94.4Very high12 Ų1241.8 Ų41.86%0.05619%0.189CC..EExtended strand (participates in β ladder)trans-103.9117.1179.7-152.8178.5000108.6I313 T314 S316 Y331 E335 G512 L513I313-H333 WeakPolarHBondContact CA-O 3.33Å; T314-H333 PolarHBondContact N-O 3.26Å; T314-H333 PolarHBondContact O-N 2.73Å; S316-H333 WeakPolarHBondContact OG-CB 3.37Å; S316-H333 PolarHBondContact OG-ND1 2.74Å; Y331-H333 HydrophobicContact CD2-CB 4.22Å; Y331-H333 HydrophobicContact CE2-CB 3.68Å; Y331-H333 AromaticContact CE2-CD2 3.77Å; Y331-H333 AromaticContact CE2-CG 3.51Å; Y331-H333 AromaticContact CE2-ND1 3.9Å; Y331-H333 AromaticContact CZ-ND1 3.95Å; Y331-H333 PolarHBondContact OH-CE1 3Å; Y331-H333 PolarHBondContact OH-ND1 3.28Å; H333-E335 HydrophobicContact CB-CG 4.21Å; H333-E335 IonicContact CE1-OE1 3.99Å; H333-E335 PolarHBondContact CE1-OE1 3.38Å; H333-E335 IonicContact CG-OE2 2.81Å; H333-E335 VanDerWaalsContact ND1-CD 3.32Å; H333-E335 IonicContact ND1-OE1 3.66Å; H333-E335 PolarHBondContact ND1-OE1 3.04Å; H333-E335 IonicContact ND1-OE2 3.22Å; H333-G512 WeakPolarHBondContact NE2-CA 3.3Å; H333-L513 PolarHBondContact CD2-O 3.06Å
334V98.8Very high95.5Very high0 Ų037.3 Ų37.30%018%0.178CC..EExtended strand (participates in β ladder)trans-91.7107.3172.2177.70000106.5F252 F256 I313 G512 L513 F515F252-V334 HydrophobicContact CD1-CG1 4Å; F252-V334 HydrophobicContact CE1-CG1 4.36Å; F256-V334 HydrophobicContact CE2-CG1 3.7Å; F256-V334 HydrophobicContact CZ-CG1 4.06Å; I313-V334 HydrophobicContact CD1-CG2 4.21Å; I313-V334 HydrophobicContact CG1-CB 4.5Å; I313-V334 HydrophobicContact CG1-CG1 4.27Å; I313-V334 HydrophobicContact CG1-CG2 4.05Å; I313-V334 HydrophobicContact CG2-CG2 3.89Å; V334-G512 CarbonylContact O-C 3.54Å; V334-G512 WeakPolarHBondContact O-CA 3.42Å; V334-L513 HydrophobicContact CB-CB 4.24Å; V334-L513 HydrophobicContact CB-CD2 4.33Å; V334-L513 HydrophobicContact CG2-CD2 4.38Å; V334-L513 PolarHBondContact N-O 3.19Å; V334-L513 PolarHBondContact O-N 3.06Å; V334-F515 HydrophobicContact CG2-CB 4.12Å; V334-F515 HydrophobicContact CG2-CD2 4.24Å
335E98.9Very high96.2Very high5 Ų536 Ų362%0.02317%0.173CC..EExtended strand (participates in β ladder)trans-120.1140-176.1-61.4177.810200109.6S295 S296 Q297 L300 F311 C312 H333 Y511S295-E335 WeakPolarHBondContact CA-OE1 3.48Å; S295-E335 VanDerWaalsContact CB-OE1 3.32Å; S295-E335 WeakPolarHBondContact CB-OE1 3.38Å; S295-E335 PolarHBondContact OG-OE1 3.24Å; S296-E335 WeakPolarHBondContact CA-OE2 3.47Å; S296-E335 WeakPolarHBondContact CB-OE2 3.5Å; S296-E335 VanDerWaalsContact N-CD 3.33Å; S296-E335 PolarHBondContact N-OE1 3.48Å; S296-E335 PolarHBondContact N-OE2 2.82Å; S296-E335 PolarHBondContact OG-OE2 3.25Å; S296-E335 VanDerWaalsContact OG-OE2 3.04Å; Q297-E335 PolarHBondContact N-OE1 3.47Å; L300-E335 HydrophobicContact CD1-CB 3.66Å; F311-E335 CarbonylContact C-O 3.52Å; F311-E335 WeakPolarHBondContact CA-O 3.38Å; F311-E335 WeakPolarHBondContact CB-O 3.42Å; C312-E335 PolarHBondContact N-O 2.88Å; C312-E335 PolarHBondContact O-N 3.41Å; H333-E335 HydrophobicContact CB-CG 4.21Å; H333-E335 IonicContact CE1-OE1 3.99Å; H333-E335 PolarHBondContact CE1-OE1 3.38Å; H333-E335 IonicContact CG-OE2 2.81Å; H333-E335 VanDerWaalsContact ND1-CD 3.32Å; H333-E335 IonicContact ND1-OE1 3.66Å; H333-E335 PolarHBondContact ND1-OE1 3.04Å; H333-E335 IonicContact ND1-OE2 3.22Å; E335-Y511 WeakPolarHBondContact CA-O 3.29Å
336A98.9Very high97Very high1 Ų129.5 Ų29.51%0.00815%0.148CC..EExtended strand (participates in β ladder)trans-143.4146.2177.100000111.3F256 Y261 C310 F311 G510 Y511F256-A336 HydrophobicContact CE1-CB 3.69Å; F256-A336 HydrophobicContact CZ-CB 3.94Å; Y261-A336 HydrophobicContact CE1-CB 4.08Å; C310-A336 VanDerWaalsContact O-CA 3.31Å; C310-A336 WeakPolarHBondContact O-CA 3.17Å; F311-A336 HydrophobicContact CB-CB 3.88Å; A336-G510 CarbonylContact O-C 3.59Å; A336-G510 WeakPolarHBondContact O-CA 3.27Å; A336-Y511 HydrophobicContact CB-CE1 4.27Å; A336-Y511 HydrophobicContact CB-CE2 3.85Å; A336-Y511 PolarHBondContact N-O 2.78Å; A336-Y511 PolarHBondContact O-N 3.3Å
337E98.9Very high97.6Very high2 Ų228 Ų281%0.00914%0.143CC..EExtended strand (participates in β ladder)trans-135.7136.1-177.6-156.670.7-14900109.6L300 E301 I304 C310 R473 H508 G510L300-E337 HydrophobicContact CB-CB 3.66Å; L300-E337 HydrophobicContact CB-CG 4.38Å; L300-E337 HydrophobicContact CD1-CB 4.38Å; E301-E337 HydrophobicContact CG-CG 3.82Å; I304-E337 HydrophobicContact CG2-CB 3.95Å; I304-E337 HydrophobicContact CG2-CG 3.93Å; C310-E337 PolarHBondContact N-O 3.46Å; C310-E337 VanDerWaalsContact N-O 3.08Å; C310-E337 PolarHBondContact O-N 3.28Å; E337-R473 VanDerWaalsContact OE1-CG 3.27Å; E337-R473 WeakPolarHBondContact OE1-CG 3.29Å; E337-R473 IonicContact OE1-CZ 3.98Å; E337-R473 IonicContact OE1-NE 3.6Å; E337-R473 PolarHBondContact OE1-NE 3.44Å; E337-R473 IonicContact OE1-NH2 3.16Å; E337-R473 IonicContact OE2-CZ 3.13Å; E337-R473 IonicContact OE2-NE 3.36Å; E337-R473 IonicContact OE2-NH2 2.71Å; E337-R473 PolarHBondContact OE2-NH2 3Å; E337-H508 IonicContact OE1-CD2 3.63Å; E337-G510 PolarHBondContact OE1-N 3.17Å; E337-G510 WeakPolarHBondContact OE2-CA 3.37Å
338C98.8Very high98.1Very high0 Ų031.4 Ų31.40%016%0.159CC..EExtended strand (participates in β ladder)trans-132.5123.7-170.5-49.10000110.3Y261 D309 I341 H508 G509Y261-C338 PolarHBondContact OH-SG 2.86Å; D309-C338 WeakPolarHBondContact OD1-CA 3.36Å; D309-C338 WeakPolarHBondContact OD1-CB 3.41Å; C338-I341 HydrophobicContact CB-CD1 3.86Å; C338-I341 HydrophobicContact CB-CG1 4.37Å; C338-I341 HydrophobicContact CB-CG2 4.32Å; C338-H508 WeakPolarHBondContact O-CA 3.33Å; C338-H508 VanDerWaalsContact O-CB 3.27Å; C338-H508 WeakPolarHBondContact O-CB 3.37Å; C338-G509 PolarHBondContact N-O 2.81Å; C338-G509 PolarHBondContact O-N 3.35Å
339P98.7Very high98.3Very high13 Ų1334 Ų348%0.08417%0.168CC..EExtended strand (participates in β ladder)trans-79159.3173.433.1-33.9000112.5I304 D309 I341I304-P339 HydrophobicContact CB-CB 4.07Å; I304-P339 HydrophobicContact CB-CG 4.03Å; I304-P339 HydrophobicContact CD1-CB 4.1Å; I304-P339 HydrophobicContact CG1-CB 4.31Å; D309-P339 WeakPolarHBondContact OD1-CD 3.39Å; P339-I341 PolarHBondContact O-N 3.43Å
340F98.6Very high98.5Very high165 Ų16533.3 Ų33.372%0.72416%0.163SC*.SBendtrans57.941.9174-48.8-73000114.9C506 P507F340-C506 HydrophobicContact CD1-CB 3.77Å; F340-C506 HydrophobicContact CE1-CB 3.37Å; F340-C506 HydrophobicContact CZ-CB 3.87Å; F340-P507 VanDerWaalsContact CA-O 3.22Å; F340-P507 WeakPolarHBondContact CA-O 3.35Å; F340-P507 PolarHBondContact N-O 3.02Å
341I98.6Very high98.5Very high19 Ų1931 Ų3110%0.09715%0.152CC..  trans-119.9164174.264.3166.4000111.3C338 P339 L346 M472 P507C338-I341 HydrophobicContact CB-CD1 3.86Å; C338-I341 HydrophobicContact CB-CG1 4.37Å; C338-I341 HydrophobicContact CB-CG2 4.32Å; P339-I341 PolarHBondContact O-N 3.43Å; I341-L346 HydrophobicContact CD1-CB 4Å; I341-L346 HydrophobicContact CD1-CD1 4.28Å; I341-M472 HydrophobicContact CD1-SD 4.37Å; I341-M472 HydrophobicContact CG1-CE 4.07Å; I341-M472 HydrophobicContact CG1-SD 4.25Å; I341-M472 WeakPolarHBondContact O-CE 3.5Å; I341-P507 PolarHBondContact N-O 2.88Å
342D98.2Very high98.6Very high90 Ų9032 Ų3248%0.48116%0.159SC..  trans-110.5-178.6165.371.5-2.1000110.3N344 G345 L346D342-N344 VanDerWaalsContact C-N 3.26Å; D342-N344 PolarHBondContact O-N 3.45Å; D342-N344 WeakPolarHBondContact OD1-CB 3.35Å; D342-N344 PolarHBondContact OD1-N 3.23Å; D342-N344 VanDerWaalsContact OD1-N 3.09Å; D342-G345 PolarHBondContact O-N 3.43Å; D342-G345 VanDerWaalsContact O-N 3.17Å; D342-G345 PolarHBondContact OD1-N 3.27Å; D342-L346 PolarHBondContact O-N 3.01Å
343L98.2Very high98.6Very high22 Ų2230.5 Ų30.512%0.11515%0.151CC..Hα-helixtrans-57-39.3177.9-179.260.8000111.8G345 L346 L347 D455 M472L343-G345 PolarHBondContact O-N 2.92Å; L343-L346 HydrophobicContact CD1-CD2 4.4Å; L343-L346 WeakPolarHBondContact O-CB 3.18Å; L343-L346 PolarHBondContact O-N 3.48Å; L343-L347 HydrophobicContact CD1-CD2 4.38Å; L343-L347 HydrophobicContact CG-CG 4.45Å; L343-L347 VanDerWaalsContact O-CG 3.29Å; L343-L347 WeakPolarHBondContact O-CG 3.5Å; L343-L347 PolarHBondContact O-N 2.78Å; L343-D455 HydrophobicContact CB-CB 4.37Å; L343-D455 HydrophobicContact CD1-CB 4.43Å; L343-D455 HydrophobicContact CD2-CB 4.17Å; L343-M472 HydrophobicContact CB-CG 4.09Å; L343-M472 HydrophobicContact CD1-CG 4.46Å
344N98.2Very high98.6Very high74 Ų7430 Ų3040%0.39615%0.148SC..Hα-helixtrans-64.5-42.7178.4-74.1-55.7000111.8D342 L346 L347 E348 R385D342-N344 VanDerWaalsContact C-N 3.26Å; D342-N344 PolarHBondContact O-N 3.45Å; D342-N344 WeakPolarHBondContact OD1-CB 3.35Å; D342-N344 PolarHBondContact OD1-N 3.23Å; D342-N344 VanDerWaalsContact OD1-N 3.09Å; N344-L346 VanDerWaalsContact C-N 3.26Å; N344-L346 PolarHBondContact O-N 2.81Å; N344-L347 PolarHBondContact O-N 3.48Å; N344-E348 WeakPolarHBondContact O-CG 3.4Å; N344-E348 PolarHBondContact O-N 2.91Å; N344-R385 PolarHBondContact OD1-NH1 2.78Å
345G98.4Very high98.6Very high16 Ų1630.7 Ų30.717%0.16515%0.153CC..Hα-helixtrans-59-38.3173.400000112.2D342 L343 R349D342-G345 PolarHBondContact O-N 3.43Å; D342-G345 VanDerWaalsContact O-N 3.17Å; D342-G345 PolarHBondContact OD1-N 3.27Å; L343-G345 PolarHBondContact O-N 2.92Å; G345-R349 VanDerWaalsContact O-CG 3.27Å; G345-R349 WeakPolarHBondContact O-CG 3.45Å; G345-R349 PolarHBondContact O-N 3.39Å; G345-R349 VanDerWaalsContact O-N 3.12Å
346L98.7Very high98.6Very high0 Ų032 Ų320%016%0.16CC..Hα-helixtrans-64.4-47.3173.6-177.261.4000111.9I341 D342 L343 N344 E348 R349 I350 V457 S471 M472 Y511I341-L346 HydrophobicContact CD1-CB 4Å; I341-L346 HydrophobicContact CD1-CD1 4.28Å; D342-L346 PolarHBondContact O-N 3.01Å; L343-L346 HydrophobicContact CD1-CD2 4.4Å; L343-L346 WeakPolarHBondContact O-CB 3.18Å; L343-L346 PolarHBondContact O-N 3.48Å; N344-L346 VanDerWaalsContact C-N 3.26Å; N344-L346 PolarHBondContact O-N 2.81Å; L346-E348 VanDerWaalsContact C-N 3.34Å; L346-E348 PolarHBondContact O-N 3.28Å; L346-R349 PolarHBondContact O-N 2.99Å; L346-I350 HydrophobicContact CD1-CD1 4.33Å; L346-I350 HydrophobicContact CG-CD1 4.16Å; L346-I350 WeakPolarHBondContact O-CG1 3.46Å; L346-I350 PolarHBondContact O-N 3.26Å; L346-V457 HydrophobicContact CD2-CG1 4.04Å; L346-V457 HydrophobicContact CG-CG1 4.37Å; L346-S471 VanDerWaalsContact CD2-C 3.45Å; L346-M472 HydrophobicContact CB-SD 4.21Å; L346-M472 HydrophobicContact CD2-SD 4.24Å; L346-Y511 HydrophobicContact CD1-CD1 3.75Å; L346-Y511 HydrophobicContact CD1-CE1 4.49Å
347L98.7Very high98.6Very high5 Ų532 Ų323%0.02616%0.159CC..Hα-helixtrans-58.5-45.1178-64.3-173.5000111.8L343 N344 I350 E351 L431 T433 V457L343-L347 HydrophobicContact CD1-CD2 4.38Å; L343-L347 HydrophobicContact CG-CG 4.45Å; L343-L347 VanDerWaalsContact O-CG 3.29Å; L343-L347 WeakPolarHBondContact O-CG 3.5Å; L343-L347 PolarHBondContact O-N 2.78Å; N344-L347 PolarHBondContact O-N 3.48Å; L347-I350 PolarHBondContact O-N 3.26Å; L347-E351 WeakPolarHBondContact O-CB 3.44Å; L347-E351 PolarHBondContact O-N 3.25Å; L347-L431 HydrophobicContact CB-CD1 4.17Å; L347-L431 HydrophobicContact CD2-CB 4.38Å; L347-L431 HydrophobicContact CD2-CD1 4.27Å; L347-L431 HydrophobicContact CD2-CD2 4.4Å; L347-T433 HydrophobicContact CD1-CG2 4.22Å; L347-T433 HydrophobicContact CD2-CG2 3.87Å; L347-V457 HydrophobicContact CD2-CB 3.65Å; L347-V457 HydrophobicContact CD2-CG1 3.99Å; L347-V457 HydrophobicContact CD2-CG2 3.41Å; L347-V457 VanDerWaalsContact CD2-CG2 3.41Å
348E98.5Very high98.6Very high103 Ų10331.9 Ų31.948%0.48116%0.159SC..Hα-helixtrans-64.3-39.4179.2-73.7179.6-17500112.2N344 L346 E351 D352N344-E348 WeakPolarHBondContact O-CG 3.4Å; N344-E348 PolarHBondContact O-N 2.91Å; L346-E348 VanDerWaalsContact C-N 3.34Å; L346-E348 PolarHBondContact O-N 3.28Å; E348-E351 PolarHBondContact O-N 2.91Å; E348-D352 WeakPolarHBondContact O-CB 3.43Å; E348-D352 PolarHBondContact O-N 3.12Å
349R98.7Very high98.5Very high66 Ų6635.6 Ų35.625%0.24918%0.179CC..Hα-helixtrans-67.1-40.2176.7-73175.4-176-106.515.4112.4Y261 D309 G345 L346 L353Y261-R349 PolarHBondContact OH-NH1 3.26Å; D309-R349 IonicContact OD1-CZ 3.93Å; D309-R349 IonicContact OD1-NH1 3.55Å; D309-R349 IonicContact OD1-NH2 3.64Å; D309-R349 IonicContact OD2-CZ 3.43Å; D309-R349 IonicContact OD2-NH1 3.55Å; D309-R349 PolarHBondContact OD2-NH1 3.15Å; D309-R349 IonicContact OD2-NH2 3.82Å; D309-R349 PolarHBondContact OD2-NH2 2.95Å; G345-R349 VanDerWaalsContact O-CG 3.27Å; G345-R349 WeakPolarHBondContact O-CG 3.45Å; G345-R349 PolarHBondContact O-N 3.39Å; G345-R349 VanDerWaalsContact O-N 3.12Å; L346-R349 PolarHBondContact O-N 2.99Å; R349-L353 VanDerWaalsContact O-CB 3.32Å; R349-L353 WeakPolarHBondContact O-CB 3.34Å; R349-L353 PolarHBondContact O-N 3.2Å
350I98.7Very high98.5Very high0 Ų038.1 Ų38.10%019%0.187CC..Hα-helixtrans-63.9-45.5175.6-69.2169.6000110.8L346 L347 L353 V354 L431 V457 L459 V468 Y511L346-I350 HydrophobicContact CD1-CD1 4.33Å; L346-I350 HydrophobicContact CG-CD1 4.16Å; L346-I350 WeakPolarHBondContact O-CG1 3.46Å; L346-I350 PolarHBondContact O-N 3.26Å; L347-I350 PolarHBondContact O-N 3.26Å; I350-L353 PolarHBondContact O-N 3.08Å; I350-V354 PolarHBondContact O-N 2.88Å; I350-L431 HydrophobicContact CG2-CD2 4Å; I350-V457 HydrophobicContact CD1-CG1 3.56Å; I350-L459 HydrophobicContact CG2-CB 4.25Å; I350-L459 HydrophobicContact CG2-CD2 3.97Å; I350-V468 HydrophobicContact CD1-CG1 4.2Å; I350-V468 HydrophobicContact CG1-CG1 4.33Å; I350-V468 HydrophobicContact CG2-CB 4.4Å; I350-V468 HydrophobicContact CG2-CG1 4.28Å; I350-V468 HydrophobicContact CG2-CG2 4.4Å; I350-Y511 HydrophobicContact CD1-CD1 4.2Å; I350-Y511 HydrophobicContact CD1-CG 4.34Å; I350-Y511 HydrophobicContact CG1-CD1 3.59Å; I350-Y511 HydrophobicContact CG1-CE1 4.08Å; I350-Y511 HydrophobicContact CG1-CG 3.92Å
351E98.3Very high98.5Very high9 Ų930.2 Ų30.24%0.04215%0.152CC..Hα-helixtrans-62.1-46.8177.9179-179.8118.800111.6L347 E348 V354 V355 R381 P382 F383L347-E351 WeakPolarHBondContact O-CB 3.44Å; L347-E351 PolarHBondContact O-N 3.25Å; E348-E351 PolarHBondContact O-N 2.91Å; E351-V354 PolarHBondContact O-N 3.35Å; E351-V355 WeakPolarHBondContact O-CB 3.41Å; E351-V355 WeakPolarHBondContact O-CG2 3.48Å; E351-V355 PolarHBondContact O-N 2.97Å; E351-V355 VanDerWaalsContact O-N 3.1Å; E351-R381 HydrophobicContact CG-CB 4.42Å; E351-R381 HydrophobicContact CG-CG 3.68Å; E351-R381 WeakPolarHBondContact OE1-CB 3.39Å; E351-R381 WeakPolarHBondContact OE1-CD 3.47Å; E351-R381 WeakPolarHBondContact OE1-CG 3.26Å; E351-R381 IonicContact OE1-CZ 3.62Å; E351-R381 IonicContact OE1-NE 3.58Å; E351-R381 PolarHBondContact OE1-NE 2.83Å; E351-R381 IonicContact OE1-NH2 2.72Å; E351-P382 WeakPolarHBondContact OE1-CA 3.4Å; E351-P382 WeakPolarHBondContact OE2-CA 3.49Å; E351-F383 HydrophobicContact CB-CD2 4.17Å; E351-F383 HydrophobicContact CB-CE2 4.33Å; E351-F383 HydrophobicContact CG-CD1 4.06Å; E351-F383 HydrophobicContact CG-CD2 4.05Å; E351-F383 HydrophobicContact CG-CE1 4.16Å; E351-F383 HydrophobicContact CG-CE2 4.19Å; E351-F383 HydrophobicContact CG-CG 3.99Å; E351-F383 HydrophobicContact CG-CZ 4.24Å; E351-F383 PolarHBondContact OE2-N 2.82Å
352D98.6Very high98.5Very high39 Ų3932 Ų3221%0.20916%0.161CC..Hα-helixtrans-62.8-41.1178.2-177.260.1000112.5H255 R259 E348 D356 R381H255-D352 IonicContact CE1-OD2 3.3Å; R259-D352 IonicContact CZ-OD2 2.95Å; R259-D352 IonicContact NE-OD2 3.96Å; R259-D352 PolarHBondContact NE-OD2 3.44Å; R259-D352 IonicContact NH2-OD1 2.8Å; R259-D352 PolarHBondContact NH2-OD1 3.05Å; R259-D352 IonicContact NH2-OD2 3.52Å; R259-D352 PolarHBondContact NH2-OD2 3.21Å; E348-D352 WeakPolarHBondContact O-CB 3.43Å; E348-D352 PolarHBondContact O-N 3.12Å; D352-D356 WeakPolarHBondContact O-CB 3.49Å; D352-D356 PolarHBondContact O-N 3.07Å; D352-R381 IonicContact OD1-NH1 3.44Å; D352-R381 PolarHBondContact OD1-NH1 2.85Å
353L98.8Very high98.5Very high0 Ų037 Ų370%018%0.178CC..Hα-helixtrans-54.5-56.6172.7174.968.3000112.2F252 H255 F256 R349 I350 V355 V357 Y511 L513F252-L353 HydrophobicContact CD1-CD1 3.84Å; F252-L353 HydrophobicContact CE1-CD1 3.88Å; F252-L353 HydrophobicContact CE1-CD2 4.14Å; F252-L353 HydrophobicContact CE1-CG 4.08Å; H255-L353 HydrophobicContact CB-CD1 4.47Å; H255-L353 WeakPolarHBondContact CD2-CD1 3.48Å; H255-L353 WeakPolarHBondContact CE1-CA 3.22Å; F256-L353 HydrophobicContact CE1-CD1 4.45Å; F256-L353 HydrophobicContact CE2-CD1 4.29Å; F256-L353 HydrophobicContact CZ-CD1 4Å; F256-L353 HydrophobicContact CZ-CD2 4.47Å; R349-L353 VanDerWaalsContact O-CB 3.32Å; R349-L353 WeakPolarHBondContact O-CB 3.34Å; R349-L353 PolarHBondContact O-N 3.2Å; I350-L353 PolarHBondContact O-N 3.08Å; L353-V355 PolarHBondContact O-N 3.13Å; L353-V357 HydrophobicContact CD1-CG2 3.91Å; L353-V357 VanDerWaalsContact O-CB 3.26Å; L353-V357 WeakPolarHBondContact O-CB 3.3Å; L353-V357 WeakPolarHBondContact O-CG2 3.07Å; L353-V357 PolarHBondContact O-N 2.97Å; L353-Y511 HydrophobicContact CD2-CD2 4.39Å; L353-Y511 HydrophobicContact CD2-CE2 3.47Å; L353-Y511 VanDerWaalsContact CD2-CE2 3.47Å; L353-L513 HydrophobicContact CD2-CD1 4.35Å
354V98.6Very high98.5Very high0 Ų041.9 Ų41.90%020%0.195CC..Hα-helixtrans-66.5-41.4-172.8174.60000110.9I350 E351 C358 P379 F383 L459 F518 W521I350-V354 PolarHBondContact O-N 2.88Å; E351-V354 PolarHBondContact O-N 3.35Å; V354-C358 WeakPolarHBondContact O-CB 3.49Å; V354-C358 PolarHBondContact O-N 3.44Å; V354-C358 VanDerWaalsContact O-N 3.12Å; V354-C358 PolarHBondContact O-SG 3.42Å; V354-P379 HydrophobicContact CG1-CG 4.06Å; V354-F383 HydrophobicContact CB-CE2 4.32Å; V354-F383 HydrophobicContact CB-CZ 4.29Å; V354-F383 HydrophobicContact CG1-CE2 4.46Å; V354-F383 HydrophobicContact CG1-CZ 4.21Å; V354-L459 HydrophobicContact CB-CD2 4.49Å; V354-L459 HydrophobicContact CG2-CD2 3.68Å; V354-F518 HydrophobicContact CG1-CE2 4.47Å; V354-W521 HydrophobicContact CG1-CH2 3.9Å; V354-W521 HydrophobicContact CG1-CZ3 3.96Å
355V98.5Very high98.4Very high16 Ų1639.6 Ų39.610%0.09719%0.185CC..Hα-helixtrans-67.9-52.1-179.3173.80000111E351 L353 V357 C358 D359 P379 R381 F383E351-V355 WeakPolarHBondContact O-CB 3.41Å; E351-V355 WeakPolarHBondContact O-CG2 3.48Å; E351-V355 PolarHBondContact O-N 2.97Å; E351-V355 VanDerWaalsContact O-N 3.1Å; L353-V355 PolarHBondContact O-N 3.13Å; V355-V357 PolarHBondContact O-N 3.21Å; V355-C358 PolarHBondContact O-N 3.47Å; V355-D359 PolarHBondContact O-N 3.3Å; V355-P379 HydrophobicContact CG2-CG 4.18Å; V355-R381 HydrophobicContact CB-CG 4.29Å; V355-R381 HydrophobicContact CG1-CG 4.26Å; V355-R381 HydrophobicContact CG2-CG 3.63Å; V355-F383 HydrophobicContact CG2-CE1 3.82Å; V355-F383 HydrophobicContact CG2-CZ 3.8Å
356D98.7Very high98.4Very high32 Ų3239.2 Ų39.217%0.17118%0.181CC..Hα-helixtrans-63.8-40.6-177.7-179.656.4000111.9H255 R259 D352 D359 R360H255-D356 IonicContact CE1-OD2 3.35Å; H255-D356 IonicContact CG-OD2 3.89Å; H255-D356 IonicContact ND1-OD2 3.09Å; H255-D356 PolarHBondContact ND1-OD2 3.35Å; R259-D356 IonicContact CZ-OD2 2.77Å; R259-D356 IonicContact NH1-OD2 3.02Å; R259-D356 PolarHBondContact NH1-OD2 3.45Å; R259-D356 IonicContact NH2-OD2 3.59Å; R259-D356 PolarHBondContact NH2-OD2 3.3Å; D352-D356 WeakPolarHBondContact O-CB 3.49Å; D352-D356 PolarHBondContact O-N 3.07Å; D356-D359 PolarHBondContact O-N 3.44Å; D356-R360 VanDerWaalsContact CG-NE 3.28Å; D356-R360 WeakPolarHBondContact O-CB 3.24Å; D356-R360 WeakPolarHBondContact O-CG 3.3Å; D356-R360 PolarHBondContact O-N 2.86Å; D356-R360 IonicContact OD1-CZ 2.78Å; D356-R360 IonicContact OD1-NE 3.52Å; D356-R360 PolarHBondContact OD1-NE 3.11Å; D356-R360 IonicContact OD1-NH2 3.59Å; D356-R360 IonicContact OD2-CZ 3.5Å; D356-R360 IonicContact OD2-NE 2.99Å; D356-R360 PolarHBondContact OD2-NE 2.81Å; D356-R360 IonicContact OD2-NH2 3.5Å; D356-R360 PolarHBondContact OD2-NH2 3.4Å
357V98.8Very high98.2Very high0 Ų046.3 Ų46.30%022%0.219CC..Hα-helixtrans-63-44.2175.2170.70000111A251 F252 H255 L353 V355 D359 R360 I361 F518A251-V357 HydrophobicContact CB-CG1 4.01Å; F252-V357 HydrophobicContact CD1-CG2 3.92Å; F252-V357 HydrophobicContact CD2-CG1 3.9Å; F252-V357 HydrophobicContact CE1-CG1 4.41Å; F252-V357 HydrophobicContact CE1-CG2 4.11Å; F252-V357 HydrophobicContact CE2-CG1 3.78Å; F252-V357 HydrophobicContact CG-CG1 4.26Å; F252-V357 HydrophobicContact CG-CG2 4.17Å; F252-V357 HydrophobicContact CZ-CG1 4.03Å; H255-V357 HydrophobicContact CB-CG2 3.82Å; L353-V357 HydrophobicContact CD1-CG2 3.91Å; L353-V357 VanDerWaalsContact O-CB 3.26Å; L353-V357 WeakPolarHBondContact O-CB 3.3Å; L353-V357 WeakPolarHBondContact O-CG2 3.07Å; L353-V357 PolarHBondContact O-N 2.97Å; V355-V357 PolarHBondContact O-N 3.21Å; V357-D359 PolarHBondContact O-N 2.85Å; V357-R360 PolarHBondContact O-N 2.96Å; V357-I361 HydrophobicContact CG1-CD1 3.82Å; V357-I361 WeakPolarHBondContact O-CD1 3.28Å; V357-I361 WeakPolarHBondContact O-CG1 3.38Å; V357-I361 PolarHBondContact O-N 3.38Å; V357-F518 HydrophobicContact CG1-CE1 4.14Å; V357-F518 HydrophobicContact CG1-CZ 3.73Å
358C98.6Very high98.1Very high0 Ų048.2 Ų48.20%023%0.229CC..Hα-helixtrans-61.4-43176-70.80000111.9V354 V355 I361 M362 F376 T378V354-C358 WeakPolarHBondContact O-CB 3.49Å; V354-C358 PolarHBondContact O-N 3.44Å; V354-C358 VanDerWaalsContact O-N 3.12Å; V354-C358 PolarHBondContact O-SG 3.42Å; V355-C358 PolarHBondContact O-N 3.47Å; C358-I361 PolarHBondContact O-N 3.09Å; C358-M362 WeakPolarHBondContact O-CG 3.42Å; C358-M362 PolarHBondContact O-N 3.07Å; C358-F376 HydrophobicContact CB-CZ 4.2Å; C358-T378 HydrophobicContact CB-CG2 3.9Å
359D98.4Very high98.1Very high78 Ų7843.3 Ų43.342%0.41721%0.206SC..Hα-helixtrans-65.1-41177.9-80-26.3000112.4V355 D356 V357 I361 M362 K363 T378V355-D359 PolarHBondContact O-N 3.3Å; D356-D359 PolarHBondContact O-N 3.44Å; V357-D359 PolarHBondContact O-N 2.85Å; D359-I361 VanDerWaalsContact C-N 3.33Å; D359-I361 PolarHBondContact O-N 2.77Å; D359-M362 PolarHBondContact O-N 2.94Å; D359-K363 VanDerWaalsContact O-CB 3.28Å; D359-K363 WeakPolarHBondContact O-CB 3.41Å; D359-K363 PolarHBondContact O-N 3.47Å; D359-T378 WeakPolarHBondContact OD1-CG2 3.49Å; D359-T378 PolarHBondContact OD1-OG1 2.81Å
360R98.6Very high98.1Very high66 Ų6643.3 Ų43.325%0.24921%0.21CC..Hα-helixtrans-60.3-42.8173.7-73.9169.6-173.7-91.7-4.1111.8A251 D258 D356 V357 R364A251-R360 HydrophobicContact CB-CB 3.91Å; D258-R360 IonicContact OD2-CZ 3.53Å; D258-R360 IonicContact OD2-NH1 3.48Å; D258-R360 PolarHBondContact OD2-NH1 2.81Å; D258-R360 IonicContact OD2-NH2 2.67Å; D258-R360 PolarHBondContact OD2-NH2 2.91Å; D356-R360 VanDerWaalsContact CG-NE 3.28Å; D356-R360 WeakPolarHBondContact O-CB 3.24Å; D356-R360 WeakPolarHBondContact O-CG 3.3Å; D356-R360 PolarHBondContact O-N 2.86Å; D356-R360 IonicContact OD1-CZ 2.78Å; D356-R360 IonicContact OD1-NE 3.52Å; D356-R360 PolarHBondContact OD1-NE 3.11Å; D356-R360 IonicContact OD1-NH2 3.59Å; D356-R360 IonicContact OD2-CZ 3.5Å; D356-R360 IonicContact OD2-NE 2.99Å; D356-R360 PolarHBondContact OD2-NE 2.81Å; D356-R360 IonicContact OD2-NH2 3.5Å; D356-R360 PolarHBondContact OD2-NH2 3.4Å; V357-R360 PolarHBondContact O-N 2.96Å; R360-R364 WeakPolarHBondContact O-CB 3.39Å; R360-R364 PolarHBondContact O-N 3.09Å
361I98.7Very high97.9Very high0 Ų047.8 Ų47.80%023%0.234CC..Hα-helixtrans-65.7-47.3177.3-65163.9000110.4V247 A248 A251 V357 C358 D359 K363 R364 S365 G366 L369 F518 L522V247-I361 HydrophobicContact CG1-CG1 4.33Å; V247-I361 HydrophobicContact CG1-CG2 4.31Å; A248-I361 HydrophobicContact CB-CD1 3.77Å; A251-I361 HydrophobicContact CB-CD1 4.36Å; A251-I361 HydrophobicContact CB-CG1 3.74Å; V357-I361 HydrophobicContact CG1-CD1 3.82Å; V357-I361 WeakPolarHBondContact O-CD1 3.28Å; V357-I361 WeakPolarHBondContact O-CG1 3.38Å; V357-I361 PolarHBondContact O-N 3.38Å; C358-I361 PolarHBondContact O-N 3.09Å; D359-I361 VanDerWaalsContact C-N 3.33Å; D359-I361 PolarHBondContact O-N 2.77Å; I361-K363 VanDerWaalsContact C-N 3.34Å; I361-K363 PolarHBondContact O-N 3.15Å; I361-R364 PolarHBondContact O-N 3.4Å; I361-S365 CarbonylContact O-C 3.57Å; I361-S365 PolarHBondContact O-N 2.86Å; I361-G366 PolarHBondContact O-N 2.8Å; I361-L369 HydrophobicContact CG2-CD2 3.95Å; I361-F518 HydrophobicContact CD1-CE1 4.06Å; I361-F518 HydrophobicContact CD1-CZ 4.37Å; I361-L522 HydrophobicContact CD1-CD1 4.42Å; I361-L522 HydrophobicContact CD1-CD2 3.74Å; I361-L522 HydrophobicContact CG2-CD2 4.41Å
362M98.2Very high97.9Very high56 Ų5648.6 Ų48.628%0.27624%0.24SC..Hα-helixtrans-59.8-43.2177.4-79.3-60.4-60.300112C358 D359 R364 G366 L369 L370 F376C358-M362 WeakPolarHBondContact O-CG 3.42Å; C358-M362 PolarHBondContact O-N 3.07Å; D359-M362 PolarHBondContact O-N 2.94Å; M362-R364 VanDerWaalsContact C-N 3.34Å; M362-R364 PolarHBondContact O-N 3.35Å; M362-G366 WeakPolarHBondContact O-CA 3.46Å; M362-G366 PolarHBondContact O-N 2.8Å; M362-L369 HydrophobicContact CG-CD2 4.46Å; M362-L369 HydrophobicContact SD-CD2 3.69Å; M362-L369 HydrophobicContact SD-CG 4.44Å; M362-L370 HydrophobicContact CE-CD1 4.18Å; M362-L370 HydrophobicContact CE-CG 4.35Å; M362-F376 HydrophobicContact CG-CE1 4.12Å; M362-F376 HydrophobicContact SD-CD1 3.99Å; M362-F376 HydrophobicContact SD-CE1 4.17Å
363K98.1Very high97.8Very high194 Ų19448 Ų4884%0.84324%0.237SC*.Hα-helixtrans-63.5-38.1177.1-176.5178179-179.40112.6D359 I361D359-K363 VanDerWaalsContact O-CB 3.28Å; D359-K363 WeakPolarHBondContact O-CB 3.41Å; D359-K363 PolarHBondContact O-N 3.47Å; I361-K363 VanDerWaalsContact C-N 3.34Å; I361-K363 PolarHBondContact O-N 3.15Å
364R97.2Very high97.8Very high126 Ų12652.4 Ų52.448%0.47527%0.265SS..Hα-helixtrans-87.4-35-175.7-177171.9177.6-152.512.1113.9V247 E250 R360 I361 M362V247-R364 HydrophobicContact CG1-CG 4.41Å; E250-R364 VanDerWaalsContact CD-NH2 3.3Å; E250-R364 IonicContact OE1-CZ 3.35Å; E250-R364 IonicContact OE1-NE 2.62Å; E250-R364 IonicContact OE1-NH1 3.28Å; E250-R364 PolarHBondContact OE1-NH1 3.29Å; E250-R364 VanDerWaalsContact OE1-NH1 3.13Å; E250-R364 IonicContact OE1-NH2 2.74Å; E250-R364 PolarHBondContact OE1-NH2 2.67Å; E250-R364 VanDerWaalsContact OE1-NH2 3.16Å; E250-R364 IonicContact OE2-CZ 3.05Å; E250-R364 IonicContact OE2-NH1 2.76Å; E250-R364 PolarHBondContact OE2-NH1 2.82Å; E250-R364 IonicContact OE2-NH2 3.07Å; E250-R364 PolarHBondContact OE2-NH2 3.29Å; R360-R364 WeakPolarHBondContact O-CB 3.39Å; R360-R364 PolarHBondContact O-N 3.09Å; I361-R364 PolarHBondContact O-N 3.4Å; M362-R364 VanDerWaalsContact C-N 3.34Å; M362-R364 PolarHBondContact O-N 3.35Å
365S97.2Very high97.6Very high25 Ų2559.9 Ų59.918%0.17530%0.3CS..Hα-helixtrans-15130.1-168.8-630000112.8I361 D367 L368 L369I361-S365 CarbonylContact O-C 3.57Å; I361-S365 PolarHBondContact O-N 2.86Å; S365-D367 VanDerWaalsContact C-N 3.34Å; S365-D367 PolarHBondContact O-N 3.46Å; S365-L368 PolarHBondContact O-N 3.09Å; S365-L368 VanDerWaalsContact O-N 3.16Å; S365-L369 PolarHBondContact O-N 3.2Å
366G97.7Very high97.5Very high9 Ų960 Ų609%0.09330%0.3CS..Hα-helixtrans-54.6-43.9179.700000113.6I361 M362 L368 L369 L370I361-G366 PolarHBondContact O-N 2.8Å; M362-G366 WeakPolarHBondContact O-CA 3.46Å; M362-G366 PolarHBondContact O-N 2.8Å; G366-L368 VanDerWaalsContact C-N 3.32Å; G366-L368 PolarHBondContact O-N 3.43Å; G366-L369 PolarHBondContact O-N 2.91Å; G366-L370 WeakPolarHBondContact O-CB 3.02Å; G366-L370 VanDerWaalsContact O-CG 3.32Å; G366-L370 WeakPolarHBondContact O-CG 3.35Å; G366-L370 PolarHBondContact O-N 3.36Å
367D95.7Very high97.3Very high148 Ų14866.6 Ų66.679%0.79133%0.327SS*.Hα-helixtrans-59.8-42.8178.1-64-19000112.1S365 D371S365-D367 VanDerWaalsContact C-N 3.34Å; S365-D367 PolarHBondContact O-N 3.46Å; D367-D371 WeakPolarHBondContact O-CB 3.3Å; D367-D371 PolarHBondContact O-N 2.9Å
368L96Very high97.1Very high45 Ų4568.3 Ų68.324%0.23634%0.338CS..Hα-helixtrans-69.5-38.2177.8-178.563.3000111.6K240 R243 L244 S365 G366 V372K240-L368 HydrophobicContact CB-CD1 3.96Å; K240-L368 HydrophobicContact CD-CD1 3.91Å; K240-L368 HydrophobicContact CG-CD1 3.69Å; R243-L368 HydrophobicContact CB-CD2 4.27Å; L244-L368 HydrophobicContact CD1-CG 4.08Å; L244-L368 HydrophobicContact CD2-CB 4.22Å; L244-L368 HydrophobicContact CD2-CD2 3.9Å; L244-L368 HydrophobicContact CD2-CG 3.93Å; L244-L368 HydrophobicContact CG-CD2 3.87Å; L244-L368 HydrophobicContact CG-CG 3.93Å; S365-L368 PolarHBondContact O-N 3.09Å; S365-L368 VanDerWaalsContact O-N 3.16Å; G366-L368 VanDerWaalsContact C-N 3.32Å; G366-L368 PolarHBondContact O-N 3.43Å; L368-V372 PolarHBondContact O-N 3.46Å
369L98.2Very high97Very high0 Ų069 Ų690%034%0.342CS..Hα-helixtrans-64.7-46.6176175.456000111L244 I361 M362 S365 G366 D371 V372 N373 F376 L522 L523L244-L369 HydrophobicContact CD1-CD1 4.41Å; L244-L369 HydrophobicContact CD2-CB 4.12Å; I361-L369 HydrophobicContact CG2-CD2 3.95Å; M362-L369 HydrophobicContact CG-CD2 4.46Å; M362-L369 HydrophobicContact SD-CD2 3.69Å; M362-L369 HydrophobicContact SD-CG 4.44Å; S365-L369 PolarHBondContact O-N 3.2Å; G366-L369 PolarHBondContact O-N 2.91Å; L369-D371 VanDerWaalsContact C-N 3.3Å; L369-D371 PolarHBondContact O-N 2.88Å; L369-V372 CarbonylContact O-C 3.56Å; L369-V372 PolarHBondContact O-N 2.86Å; L369-V372 VanDerWaalsContact O-N 3.08Å; L369-N373 PolarHBondContact O-N 3.34Å; L369-F376 HydrophobicContact CD2-CD1 3.63Å; L369-F376 HydrophobicContact CD2-CE1 3.84Å; L369-F376 HydrophobicContact CD2-CG 4.2Å; L369-F376 HydrophobicContact CG-CD1 4.27Å; L369-F376 HydrophobicContact CG-CG 4.5Å; L369-L522 HydrophobicContact CD1-CD1 4.2Å; L369-L522 HydrophobicContact CD1-CG 3.95Å; L369-L522 HydrophobicContact CD2-CD1 3.73Å; L369-L522 HydrophobicContact CD2-CG 4.32Å; L369-L523 HydrophobicContact CD1-CD2 3.74Å
370L97.9Very high96.8Very high66 Ų6673.8 Ų73.835%0.34636%0.359SS..Hα-helixtrans-69.3-26.4179.5-67.4176.4000112.8M362 G366 V372 N373 P374M362-L370 HydrophobicContact CE-CD1 4.18Å; M362-L370 HydrophobicContact CE-CG 4.35Å; G366-L370 WeakPolarHBondContact O-CB 3.02Å; G366-L370 VanDerWaalsContact O-CG 3.32Å; G366-L370 WeakPolarHBondContact O-CG 3.35Å; G366-L370 PolarHBondContact O-N 3.36Å; L370-V372 VanDerWaalsContact C-N 3.33Å; L370-N373 CarbonylContact O-C 3.58Å; L370-P374 WeakPolarHBondContact O-CA 3.26Å; L370-P374 WeakPolarHBondContact O-CD 3.42Å; L370-P374 VanDerWaalsContact O-CG 3.31Å; L370-P374 WeakPolarHBondContact O-CG 3.22Å; L370-P374 VanDerWaalsContact O-N 3.12Å
371D96Very high96.6Very high94 Ų9476.3 Ų76.350%0.50337%0.369SS..Hα-helixtrans-67.6-33.2169.4-179.648.6000112.2K240 D367 L369K240-D371 VanDerWaalsContact CD-OD2 3.3Å; K240-D371 WeakPolarHBondContact CD-OD2 3.32Å; K240-D371 WeakPolarHBondContact CE-OD2 3.3Å; K240-D371 IonicContact NZ-OD1 3.31Å; K240-D371 IonicContact NZ-OD2 3.07Å; K240-D371 PolarHBondContact NZ-OD2 3.38Å; D367-D371 WeakPolarHBondContact O-CB 3.3Å; D367-D371 PolarHBondContact O-N 2.9Å; L369-D371 VanDerWaalsContact C-N 3.3Å; L369-D371 PolarHBondContact O-N 2.88Å
372V97.3Very high96.5Very high27 Ų2781.5 Ų81.516%0.16440%0.402CS..Hα-helixtrans-84.9-40.1176.5175.10000112.5K240 V241 L244 L368 L369 L370 L523K240-V372 HydrophobicContact CB-CG2 3.81Å; K240-V372 HydrophobicContact CD-CG2 4.3Å; V241-V372 HydrophobicContact CG2-CG1 4.27Å; L244-V372 HydrophobicContact CD1-CB 4.07Å; L244-V372 HydrophobicContact CD1-CG2 3.78Å; L368-V372 PolarHBondContact O-N 3.46Å; L369-V372 CarbonylContact O-C 3.56Å; L369-V372 PolarHBondContact O-N 2.86Å; L369-V372 VanDerWaalsContact O-N 3.08Å; L370-V372 VanDerWaalsContact C-N 3.33Å; V372-L523 HydrophobicContact CG1-CB 4.23Å; V372-L523 HydrophobicContact CG1-CD2 4.37Å
373N97.7Very high96.5Very high25 Ų2579.3 Ų79.313%0.13439%0.391CS..  trans-134.383.4-179.2-175.45.2000110.4L369 L370 Q375 F376 L522 G524L369-N373 PolarHBondContact O-N 3.34Å; L370-N373 CarbonylContact O-C 3.58Å; N373-Q375 PolarHBondContact O-N 3.04Å; N373-Q375 PolarHBondContact OD1-N 2.89Å; N373-F376 HydrophobicContact CB-CB 4.25Å; N373-F376 WeakPolarHBondContact O-CB 3.45Å; N373-F376 PolarHBondContact O-N 3.12Å; N373-F376 VanDerWaalsContact O-N 3.11Å; N373-F376 PolarHBondContact OD1-N 2.86Å; N373-L522 PolarHBondContact ND2-O 3.48Å; N373-G524 PolarHBondContact ND2-N 3.3Å
374P97.1Very high96.5Very high93 Ų9373.7 Ų73.760%0.60437%0.367SS*.THydrogen-bonded Turntrans-61.9-16.9-177.5-23.632.6000114.9L370L370-P374 WeakPolarHBondContact O-CA 3.26Å; L370-P374 WeakPolarHBondContact O-CD 3.42Å; L370-P374 VanDerWaalsContact O-CG 3.31Å; L370-P374 WeakPolarHBondContact O-CG 3.22Å; L370-P374 VanDerWaalsContact O-N 3.12Å
375Q94.9Very high96.5Very high157 Ų15773.5 Ų73.573%0.73437%0.366SS*.THydrogen-bonded Turntrans-96.1-2.1-178-59.2-62.3-15.600113N373 K377N373-Q375 PolarHBondContact O-N 3.04Å; N373-Q375 PolarHBondContact OD1-N 2.89Å; Q375-K377 PolarHBondContact O-N 2.59Å
376F96.5Very high96.5Very high20 Ų2073 Ų739%0.08836%0.361CS..  trans-62.1136.8-178.4-175.4-101.9000111.5C358 M362 L369 N373 W521 L522C358-F376 HydrophobicContact CB-CZ 4.2Å; M362-F376 HydrophobicContact CG-CE1 4.12Å; M362-F376 HydrophobicContact SD-CD1 3.99Å; M362-F376 HydrophobicContact SD-CE1 4.17Å; L369-F376 HydrophobicContact CD2-CD1 3.63Å; L369-F376 HydrophobicContact CD2-CE1 3.84Å; L369-F376 HydrophobicContact CD2-CG 4.2Å; L369-F376 HydrophobicContact CG-CD1 4.27Å; L369-F376 HydrophobicContact CG-CG 4.5Å; N373-F376 HydrophobicContact CB-CB 4.25Å; N373-F376 WeakPolarHBondContact O-CB 3.45Å; N373-F376 PolarHBondContact O-N 3.12Å; N373-F376 VanDerWaalsContact O-N 3.11Å; N373-F376 PolarHBondContact OD1-N 2.86Å; F376-W521 HydrophobicContact CE2-CH2 4.47Å; F376-W521 HydrophobicContact CE2-CZ2 4.44Å; F376-L522 HydrophobicContact CD2-CD1 4.23Å; F376-L522 HydrophobicContact CE1-CD1 4.06Å; F376-L522 HydrophobicContact CE2-CD1 3.62Å; F376-L522 HydrophobicContact CZ-CD1 3.51Å
377K94.3Very high96.5Very high169 Ų16976.8 Ų76.874%0.73538%0.375SS*.  trans-134.5132.8171.8-63.6179.1-174.9173.80107.8Q375Q375-K377 PolarHBondContact O-N 2.59Å
378T95.4Very high96.6Very high37 Ų3769.8 Ų69.823%0.22734%0.338CS..  trans-54.8128.7170.3-54.40000108.7C358 D359C358-T378 HydrophobicContact CB-CG2 3.9Å; D359-T378 WeakPolarHBondContact OD1-CG2 3.49Å; D359-T378 PolarHBondContact OD1-OG1 2.81Å
379P96.1Very high96.6Very high14 Ų1471.3 Ų71.39%0.09134%0.344CS..  trans-63.5151.6175.231.8-39000110.4V354 V355 F383 P429 W521V354-P379 HydrophobicContact CG1-CG 4.06Å; V355-P379 HydrophobicContact CG2-CG 4.18Å; P379-F383 HydrophobicContact CB-CE1 3.75Å; P379-F383 HydrophobicContact CB-CZ 3.94Å; P379-F383 HydrophobicContact CG-CE1 4.32Å; P379-F383 HydrophobicContact CG-CZ 4.11Å; P379-P429 HydrophobicContact CB-CG 3.87Å; P379-W521 HydrophobicContact CG-CH2 4Å
380K93.8Very high96.6Very high178 Ų17875.2 Ų75.277%0.77436%0.364SS*.  trans-111.1144.6-178-67.1-175.8179.2-178.10111F383K380-F383 VanDerWaalsContact O-CD1 3.3Å; K380-F383 WeakPolarHBondContact O-CD1 3.32Å; K380-F383 WeakPolarHBondContact O-CE1 3.38Å
381R94.2Very high96.6Very high120 Ų12072 Ų7245%0.45335%0.348SS..SBendtrans-83148.4173-60.8-17358.6179.9-0.6110.8E351 D352 V355E351-R381 HydrophobicContact CG-CB 4.42Å; E351-R381 HydrophobicContact CG-CG 3.68Å; E351-R381 WeakPolarHBondContact OE1-CB 3.39Å; E351-R381 WeakPolarHBondContact OE1-CD 3.47Å; E351-R381 WeakPolarHBondContact OE1-CG 3.26Å; E351-R381 IonicContact OE1-CZ 3.62Å; E351-R381 IonicContact OE1-NE 3.58Å; E351-R381 PolarHBondContact OE1-NE 2.83Å; E351-R381 IonicContact OE1-NH2 2.72Å; D352-R381 IonicContact OD1-NH1 3.44Å; D352-R381 PolarHBondContact OD1-NH1 2.85Å; V355-R381 HydrophobicContact CB-CG 4.29Å; V355-R381 HydrophobicContact CG1-CG 4.26Å; V355-R381 HydrophobicContact CG2-CG 3.63Å
382P96.7Very high96.6Very high109 Ų10968 Ų6871%0.70833%0.326SS*.SBendcis-77.4151.1-11.232.9-34.3000112.3E351E351-P382 WeakPolarHBondContact OE1-CA 3.4Å; E351-P382 WeakPolarHBondContact OE2-CA 3.49Å
383F98.2Very high96.6Very high9 Ų970.7 Ų70.74%0.03934%0.342CS..PPolyproline II helixtrans-71.8151.3171.2-68.2-5.4000110.8E351 V354 V355 P379 K380 R385 P429 L431 L459E351-F383 HydrophobicContact CB-CD2 4.17Å; E351-F383 HydrophobicContact CB-CE2 4.33Å; E351-F383 HydrophobicContact CG-CD1 4.06Å; E351-F383 HydrophobicContact CG-CD2 4.05Å; E351-F383 HydrophobicContact CG-CE1 4.16Å; E351-F383 HydrophobicContact CG-CE2 4.19Å; E351-F383 HydrophobicContact CG-CG 3.99Å; E351-F383 HydrophobicContact CG-CZ 4.24Å; E351-F383 PolarHBondContact OE2-N 2.82Å; V354-F383 HydrophobicContact CB-CE2 4.32Å; V354-F383 HydrophobicContact CB-CZ 4.29Å; V354-F383 HydrophobicContact CG1-CE2 4.46Å; V354-F383 HydrophobicContact CG1-CZ 4.21Å; V355-F383 HydrophobicContact CG2-CE1 3.82Å; V355-F383 HydrophobicContact CG2-CZ 3.8Å; P379-F383 HydrophobicContact CB-CE1 3.75Å; P379-F383 HydrophobicContact CB-CZ 3.94Å; P379-F383 HydrophobicContact CG-CE1 4.32Å; P379-F383 HydrophobicContact CG-CZ 4.11Å; K380-F383 VanDerWaalsContact O-CD1 3.3Å; K380-F383 WeakPolarHBondContact O-CD1 3.32Å; K380-F383 WeakPolarHBondContact O-CE1 3.38Å; F383-R385 PolarHBondContact O-N 3.03Å; F383-P429 HydrophobicContact CB-CB 4.49Å; F383-P429 HydrophobicContact CD1-CB 3.97Å; F383-P429 HydrophobicContact CD1-CG 4.33Å; F383-P429 HydrophobicContact CD2-CB 3.92Å; F383-P429 HydrophobicContact CE1-CB 4.16Å; F383-P429 HydrophobicContact CE1-CG 4.19Å; F383-P429 HydrophobicContact CE2-CB 4.08Å; F383-P429 HydrophobicContact CG-CB 3.87Å; F383-P429 HydrophobicContact CZ-CB 4.2Å; F383-P429 HydrophobicContact CZ-CG 4.37Å; F383-L431 HydrophobicContact CB-CD1 4.01Å; F383-L431 HydrophobicContact CB-CG 4.16Å; F383-L431 HydrophobicContact CD2-CD1 4.47Å; F383-L431 HydrophobicContact CD2-CG 4.34Å; F383-L459 HydrophobicContact CD2-CD1 3.6Å; F383-L459 HydrophobicContact CE2-CD1 3.88Å; F383-L459 HydrophobicContact CE2-CD2 4.04Å
384K97.8Very high96.5Very high76 Ų7673.3 Ų73.333%0.3335%0.351SS..EExtended strand (participates in β ladder)trans-65127.7178.1-178.2178.9-177.266.70109.4I426 P429 V430 L431K384-I426 HydrophobicContact CD-CG2 3.8Å; K384-P429 PolarHBondContact N-O 3.12Å; K384-P429 VanDerWaalsContact N-O 3.15Å; K384-V430 HydrophobicContact CB-CG2 4.24Å; K384-V430 HydrophobicContact CD-CG2 4.17Å; K384-V430 CarbonylContact O-C 3.29Å; K384-V430 VanDerWaalsContact O-CA 3.3Å; K384-V430 WeakPolarHBondContact O-CA 3.48Å; K384-L431 PolarHBondContact O-N 3.46Å
385R97.9Very high96.5Very high122 Ų12268.9 Ų68.946%0.4632%0.322SS..EExtended strand (participates in β ladder)trans-92.5132.9171.8-61.1-179.2-176.4-168-2.2109.4N344 F383N344-R385 PolarHBondContact OD1-NH1 2.78Å; F383-R385 PolarHBondContact O-N 3.03Å
386L97.6Very high96.6Very high15 Ų1564 Ų648%0.07930%0.301CS..EExtended strand (participates in β ladder)trans-140.1128177.1-172.966.2000108D390 A391 L422 I426 V430 L431 L432 T433L386-D390 HydrophobicContact CD1-CB 3.52Å; L386-D390 HydrophobicContact CG-CB 4.28Å; L386-A391 HydrophobicContact CD2-CB 3.77Å; L386-A391 HydrophobicContact CG-CB 4.18Å; L386-L422 HydrophobicContact CD2-CD2 4.27Å; L386-I426 HydrophobicContact CD2-CD1 4.41Å; L386-V430 HydrophobicContact CB-CG1 3.67Å; L386-V430 HydrophobicContact CD2-CG1 4.24Å; L386-L431 PolarHBondContact N-O 3.39Å; L386-L432 HydrophobicContact CB-CD1 4.32Å; L386-L432 HydrophobicContact CD2-CD1 4.33Å; L386-L432 HydrophobicContact CG-CD1 4.24Å; L386-L432 CarbonylContact O-C 3.53Å; L386-L432 VanDerWaalsContact O-CA 3.24Å; L386-L432 WeakPolarHBondContact O-CA 3.34Å; L386-L432 WeakPolarHBondContact O-CD1 3.45Å; L386-T433 PolarHBondContact O-N 2.99Å
387K97.6Very high96.6Very high89 Ų8969.4 Ų69.439%0.38733%0.331SS..EExtended strand (participates in β ladder)trans-79.5155.7171.6-64.9-177.5177.8-1770110.2E389 D390 A391 T433K387-E389 VanDerWaalsContact C-N 3.26Å; K387-E389 HydrophobicContact CB-CG 3.91Å; K387-E389 HydrophobicContact CD-CG 4.35Å; K387-E389 VanDerWaalsContact CD-OE1 3.24Å; K387-E389 WeakPolarHBondContact CD-OE1 3.31Å; K387-E389 IonicContact NZ-OE1 2.64Å; K387-E389 PolarHBondContact O-N 2.96Å; K387-D390 WeakPolarHBondContact O-CB 3.39Å; K387-D390 PolarHBondContact O-N 3.38Å; K387-D390 VanDerWaalsContact O-N 3.09Å; K387-A391 PolarHBondContact O-N 3.13Å; K387-T433 CarbonylContact C-O 3.48Å; K387-T433 WeakPolarHBondContact CA-O 3.32Å
388Y97.8Very high96.6Very high1 Ų164.5 Ų64.50%0.00431%0.313CS..Hα-helixtrans-51-46.2173.6166.6-91.3000112.3D390 A391 I392 Y410 G411 D412 I414 T433 N434 F435 P436 L439Y388-D390 VanDerWaalsContact C-N 3.3Å; Y388-D390 PolarHBondContact O-N 3.36Å; Y388-A391 WeakPolarHBondContact O-CB 3.48Å; Y388-A391 PolarHBondContact O-N 2.71Å; Y388-A391 VanDerWaalsContact O-N 3.07Å; Y388-I392 HydrophobicContact CD1-CG1 4.38Å; Y388-I392 HydrophobicContact CE1-CD1 4.44Å; Y388-I392 HydrophobicContact CE1-CG1 3.82Å; Y388-I392 HydrophobicContact CE2-CD1 3.94Å; Y388-I392 HydrophobicContact CE2-CG1 4.01Å; Y388-I392 WeakPolarHBondContact O-CG1 3.46Å; Y388-I392 PolarHBondContact O-N 3.16Å; Y388-Y410 HydrophobicContact CD1-CD2 4.44Å; Y388-Y410 HydrophobicContact CD1-CE2 4.29Å; Y388-Y410 AromaticContact CE1-CD2 3.97Å; Y388-Y410 HydrophobicContact CE1-CD2 3.97Å; Y388-Y410 HydrophobicContact CE1-CE2 4.13Å; Y388-Y410 HydrophobicContact CE1-CG 4.5Å; Y388-G411 WeakPolarHBondContact OH-CA 3.21Å; Y388-G411 PolarHBondContact OH-N 3.41Å; Y388-D412 WeakPolarHBondContact CE2-O 3.3Å; Y388-D412 PolarHBondContact OH-N 3.46Å; Y388-D412 VanDerWaalsContact OH-N 3.12Å; Y388-D412 PolarHBondContact OH-O 3.12Å; Y388-I414 HydrophobicContact CD2-CD1 4.12Å; Y388-I414 HydrophobicContact CE2-CD1 4.07Å; Y388-I414 HydrophobicContact CE2-CG1 4.25Å; Y388-T433 PolarHBondContact N-O 2.95Å; Y388-N434 WeakPolarHBondContact CB-O 3.46Å; Y388-F435 AromaticContact CD2-CD1 3.73Å; Y388-F435 HydrophobicContact CD2-CD1 3.73Å; Y388-F435 HydrophobicContact CD2-CE1 4.14Å; Y388-F435 HydrophobicContact CG-CD1 4.35Å; Y388-P436 VanDerWaalsContact CD1-CD 3.4Å; Y388-P436 HydrophobicContact CD1-CG 3.64Å; Y388-P436 HydrophobicContact CE1-CG 3.35Å; Y388-P436 HydrophobicContact CE2-CG 4.4Å; Y388-P436 HydrophobicContact CG-CG 4.29Å; Y388-L439 HydrophobicContact CE2-CD1 4.28Å
389E96.5Very high96.5Very high77 Ų7765.5 Ų65.536%0.3633%0.33SS..Hα-helixtrans-58.4-42.217960.8-173.2164.600112.2K387 A391 I392 V393K387-E389 VanDerWaalsContact C-N 3.26Å; K387-E389 HydrophobicContact CB-CG 3.91Å; K387-E389 HydrophobicContact CD-CG 4.35Å; K387-E389 VanDerWaalsContact CD-OE1 3.24Å; K387-E389 WeakPolarHBondContact CD-OE1 3.31Å; K387-E389 IonicContact NZ-OE1 2.64Å; K387-E389 PolarHBondContact O-N 2.96Å; E389-A391 VanDerWaalsContact C-N 3.34Å; E389-I392 PolarHBondContact O-N 3.48Å; E389-V393 PolarHBondContact O-N 3.5Å
390D97.1Very high96.4Very high81 Ų8165.5 Ų65.543%0.43333%0.329SS..Hα-helixtrans-69.5-33.7177-62-43.1000111.5L386 K387 Y388 V393 Y394L386-D390 HydrophobicContact CD1-CB 3.52Å; L386-D390 HydrophobicContact CG-CB 4.28Å; K387-D390 WeakPolarHBondContact O-CB 3.39Å; K387-D390 PolarHBondContact O-N 3.38Å; K387-D390 VanDerWaalsContact O-N 3.09Å; Y388-D390 VanDerWaalsContact C-N 3.3Å; Y388-D390 PolarHBondContact O-N 3.36Å; D390-V393 PolarHBondContact O-N 2.67Å; D390-Y394 WeakPolarHBondContact O-CB 3.4Å; D390-Y394 PolarHBondContact O-N 3.07Å
391A97.4Very high96.3Very high0 Ų059.2 Ų59.20%031%0.306CS..Hα-helixtrans-66.2-39.7176.200000112.3L386 K387 Y388 E389 V393 Y394 L395 I414 L422 L432L386-A391 HydrophobicContact CD2-CB 3.77Å; L386-A391 HydrophobicContact CG-CB 4.18Å; K387-A391 PolarHBondContact O-N 3.13Å; Y388-A391 WeakPolarHBondContact O-CB 3.48Å; Y388-A391 PolarHBondContact O-N 2.71Å; Y388-A391 VanDerWaalsContact O-N 3.07Å; E389-A391 VanDerWaalsContact C-N 3.34Å; A391-V393 VanDerWaalsContact C-N 3.34Å; A391-Y394 PolarHBondContact O-N 3.36Å; A391-L395 WeakPolarHBondContact O-CB 3.44Å; A391-L395 VanDerWaalsContact O-CG 3.31Å; A391-L395 WeakPolarHBondContact O-CG 3.15Å; A391-L395 PolarHBondContact O-N 3.09Å; A391-I414 HydrophobicContact CB-CD1 4.18Å; A391-L422 HydrophobicContact CB-CD2 4Å; A391-L432 HydrophobicContact CB-CD1 3.62Å
392I97.3Very high96.3Very high10 Ų1055.9 Ų55.95%0.05129%0.294CS..Hα-helixtrans-60.4-45.5173.6-64.7-68.2000110.6Y388 E389 Y394 L395 N396 F408 I414Y388-I392 HydrophobicContact CD1-CG1 4.38Å; Y388-I392 HydrophobicContact CE1-CD1 4.44Å; Y388-I392 HydrophobicContact CE1-CG1 3.82Å; Y388-I392 HydrophobicContact CE2-CD1 3.94Å; Y388-I392 HydrophobicContact CE2-CG1 4.01Å; Y388-I392 WeakPolarHBondContact O-CG1 3.46Å; Y388-I392 PolarHBondContact O-N 3.16Å; E389-I392 PolarHBondContact O-N 3.48Å; I392-Y394 VanDerWaalsContact C-N 3.34Å; I392-Y394 PolarHBondContact O-N 2.97Å; I392-L395 PolarHBondContact O-N 2.79Å; I392-N396 PolarHBondContact O-N 2.79Å; I392-N396 VanDerWaalsContact O-N 3.16Å; I392-N396 PolarHBondContact O-ND2 2.86Å; I392-F408 HydrophobicContact CD1-CB 3.9Å; I392-F408 HydrophobicContact CD1-CD1 4.41Å; I392-F408 HydrophobicContact CD1-CG 4.47Å; I392-F408 HydrophobicContact CG2-CB 4.15Å; I392-I414 HydrophobicContact CD1-CD1 4.02Å; I392-I414 HydrophobicContact CD1-CG1 4.04Å
393V97Very high95.9Very high82 Ų8260 Ų6050%0.49730%0.304SS..Hα-helixtrans-61.5-43.6175.6175.10000110.9E389 D390 A391 N396 N397E389-V393 PolarHBondContact O-N 3.5Å; D390-V393 PolarHBondContact O-N 2.67Å; A391-V393 VanDerWaalsContact C-N 3.34Å; V393-N396 PolarHBondContact O-N 2.96Å; V393-N397 WeakPolarHBondContact O-CB 3.12Å; V393-N397 VanDerWaalsContact O-CG 3.24Å; V393-N397 PolarHBondContact O-N 3.04Å; V393-N397 PolarHBondContact O-ND2 2.85Å
394Y96.1Very high95.6Very high80 Ų8064.4 Ų64.431%0.31433%0.328SS..Hα-helixtrans-61.7-49.8178.9-151.4-42000111.3D390 A391 I392 N396 N397 L398 L422 I426D390-Y394 WeakPolarHBondContact O-CB 3.4Å; D390-Y394 PolarHBondContact O-N 3.07Å; A391-Y394 PolarHBondContact O-N 3.36Å; I392-Y394 VanDerWaalsContact C-N 3.34Å; I392-Y394 PolarHBondContact O-N 2.97Å; Y394-N396 VanDerWaalsContact C-N 3.29Å; Y394-N396 PolarHBondContact O-N 3.43Å; Y394-N397 PolarHBondContact O-N 2.86Å; Y394-N397 VanDerWaalsContact O-N 3.11Å; Y394-L398 HydrophobicContact CD1-CD1 3.55Å; Y394-L398 HydrophobicContact CD1-CD2 4.48Å; Y394-L398 HydrophobicContact CD1-CG 3.71Å; Y394-L398 HydrophobicContact CE1-CD1 3.56Å; Y394-L398 HydrophobicContact CE1-CD2 4.03Å; Y394-L398 HydrophobicContact CE1-CG 3.73Å; Y394-L398 PolarHBondContact O-N 3.02Å; Y394-L422 HydrophobicContact CD1-CD1 3.86Å; Y394-L422 HydrophobicContact CD2-CD1 4.28Å; Y394-L422 HydrophobicContact CG-CD1 3.74Å; Y394-I426 HydrophobicContact CD2-CD1 4.46Å; Y394-I426 HydrophobicContact CE2-CD1 4.11Å; Y394-I426 HydrophobicContact CE2-CG1 4.04Å
395L96.3Very high95.4Very high0 Ų067.4 Ų67.40%035%0.347CS..Hα-helixtrans-53.4-47.5178-76.2167.5000111.5A391 I392 L398 G399 I400 F408 I414 P418 L422A391-L395 WeakPolarHBondContact O-CB 3.44Å; A391-L395 VanDerWaalsContact O-CG 3.31Å; A391-L395 WeakPolarHBondContact O-CG 3.15Å; A391-L395 PolarHBondContact O-N 3.09Å; I392-L395 PolarHBondContact O-N 2.79Å; L395-L398 PolarHBondContact O-N 2.78Å; L395-G399 PolarHBondContact O-N 2.99Å; L395-I400 HydrophobicContact CD2-CB 3.9Å; L395-I400 HydrophobicContact CD2-CD1 3.96Å; L395-I400 HydrophobicContact CD2-CG2 3.67Å; L395-I400 PolarHBondContact O-N 3.21Å; L395-F408 HydrophobicContact CB-CD2 4.09Å; L395-F408 HydrophobicContact CD1-CD2 4.04Å; L395-F408 HydrophobicContact CD1-CE2 4.31Å; L395-F408 HydrophobicContact CD1-CG 4.18Å; L395-I414 HydrophobicContact CD1-CD1 3.81Å; L395-I414 HydrophobicContact CD1-CG1 3.97Å; L395-I414 HydrophobicContact CD1-CG2 3.83Å; L395-P418 HydrophobicContact CD2-CB 4.1Å; L395-L422 HydrophobicContact CD2-CB 3.97Å; L395-L422 HydrophobicContact CG-CD2 4.46Å
396N96.7Very high95.2Very high56 Ų5664.1 Ų64.130%0.29934%0.341SS..Hα-helixtrans-65.1-40.8178.7-71.4-28.8000112.4I392 V393 Y394 L398 G399 P407 F408I392-N396 PolarHBondContact O-N 2.79Å; I392-N396 VanDerWaalsContact O-N 3.16Å; I392-N396 PolarHBondContact O-ND2 2.86Å; V393-N396 PolarHBondContact O-N 2.96Å; Y394-N396 VanDerWaalsContact C-N 3.29Å; Y394-N396 PolarHBondContact O-N 3.43Å; N396-L398 VanDerWaalsContact C-N 3.26Å; N396-L398 PolarHBondContact O-N 3.31Å; N396-G399 PolarHBondContact O-N 3.18Å; N396-P407 VanDerWaalsContact OD1-CB 3.31Å; N396-P407 WeakPolarHBondContact OD1-CB 3.24Å; N396-F408 PolarHBondContact ND2-O 3.11Å; N396-F408 PolarHBondContact OD1-N 3.3Å
397N96.1Very high95.1Very high132 Ų13267 Ų6771%0.70636%0.36SS*.Hα-helixtrans-64.8-29.3176.2-72.6-19.3000113V393 Y394 G399V393-N397 WeakPolarHBondContact O-CB 3.12Å; V393-N397 VanDerWaalsContact O-CG 3.24Å; V393-N397 PolarHBondContact O-N 3.04Å; V393-N397 PolarHBondContact O-ND2 2.85Å; Y394-N397 PolarHBondContact O-N 2.86Å; Y394-N397 VanDerWaalsContact O-N 3.11Å; N397-G399 VanDerWaalsContact C-N 3.28Å
398L94.1Very high95.1Very high67 Ų6763 Ų6335%0.35134%0.343SS..THydrogen-bonded Turntrans-81.3-4.8173.7-70176.5000113.5Y394 L395 N396 I400 L422 T425Y394-L398 HydrophobicContact CD1-CD1 3.55Å; Y394-L398 HydrophobicContact CD1-CD2 4.48Å; Y394-L398 HydrophobicContact CD1-CG 3.71Å; Y394-L398 HydrophobicContact CE1-CD1 3.56Å; Y394-L398 HydrophobicContact CE1-CD2 4.03Å; Y394-L398 HydrophobicContact CE1-CG 3.73Å; Y394-L398 PolarHBondContact O-N 3.02Å; L395-L398 PolarHBondContact O-N 2.78Å; N396-L398 VanDerWaalsContact C-N 3.26Å; N396-L398 PolarHBondContact O-N 3.31Å; L398-I400 HydrophobicContact CB-CD1 3.8Å; L398-I400 HydrophobicContact CB-CG1 3.85Å; L398-I400 HydrophobicContact CD1-CD1 3.71Å; L398-I400 HydrophobicContact CG-CD1 4.44Å; L398-I400 PolarHBondContact O-N 3.29Å; L398-L422 HydrophobicContact CD1-CD1 4.39Å; L398-T425 HydrophobicContact CD1-CG2 3.88Å; L398-T425 HydrophobicContact CD2-CG2 3.84Å
399G94.4Very high95Very high58 Ų5869 Ų6960%0.59837%0.371SS*.THydrogen-bonded Turntrans6723.9-172.700000113.2L395 N396 N397 T401L395-G399 PolarHBondContact O-N 2.99Å; N396-G399 PolarHBondContact O-N 3.18Å; N397-G399 VanDerWaalsContact C-N 3.28Å; G399-T401 PolarHBondContact O-N 3.32Å
400I93.1Very high94.9Very high14 Ų1470.4 Ų70.47%0.07237%0.374CS..  trans-83.2113.7175.7-63.4169.6000108.2L395 L398 F408 P418 R421L395-I400 HydrophobicContact CD2-CB 3.9Å; L395-I400 HydrophobicContact CD2-CD1 3.96Å; L395-I400 HydrophobicContact CD2-CG2 3.67Å; L395-I400 PolarHBondContact O-N 3.21Å; L398-I400 HydrophobicContact CB-CD1 3.8Å; L398-I400 HydrophobicContact CB-CG1 3.85Å; L398-I400 HydrophobicContact CD1-CD1 3.71Å; L398-I400 HydrophobicContact CG-CD1 4.44Å; L398-I400 PolarHBondContact O-N 3.29Å; I400-F408 HydrophobicContact CG2-CE2 4.38Å; I400-F408 WeakPolarHBondContact O-CD2 3.24Å; I400-F408 WeakPolarHBondContact O-CE2 3.41Å; I400-P418 HydrophobicContact CG2-CB 3.69Å; I400-R421 HydrophobicContact CD1-CB 3.68Å; I400-R421 HydrophobicContact CG1-CB 4.43Å
401T93Very high94.7Very high45 Ų4568.2 Ų68.228%0.27637%0.37SS..  trans-101.5167.9-176.563.60000113G399 T406 F408G399-T401 PolarHBondContact O-N 3.32Å; T401-T406 WeakPolarHBondContact CB-O 3.44Å; T401-F408 VanDerWaalsContact C-CE2 3.4Å
402K93Very high94.5Very high50 Ų5070 Ų7022%0.21738%0.38CS..  trans-65172.9162.6-68.7-172.4-65.3-160.30111.5D404 L405 T406 P407 F408 D412K402-D404 WeakPolarHBondContact CB-OD1 3.44Å; K402-D404 PolarHBondContact O-N 2.78Å; K402-L405 PolarHBondContact O-N 3.1Å; K402-T406 WeakPolarHBondContact CE-OG1 3.46Å; K402-T406 PolarHBondContact N-O 3.43Å; K402-P407 WeakPolarHBondContact CE-O 3.27Å; K402-F408 HydrophobicContact CB-CZ 4.49Å; K402-F408 HydrophobicContact CD-CD1 4.25Å; K402-F408 HydrophobicContact CD-CE1 4.27Å; K402-F408 HydrophobicContact CG-CD1 3.82Å; K402-F408 HydrophobicContact CG-CD2 4.31Å; K402-F408 HydrophobicContact CG-CE1 3.55Å; K402-F408 HydrophobicContact CG-CE2 4.08Å; K402-F408 HydrophobicContact CG-CG 4.17Å; K402-F408 HydrophobicContact CG-CZ 3.66Å; K402-D412 WeakPolarHBondContact CD-OD2 3.43Å; K402-D412 IonicContact NZ-OD1 3.82Å; K402-D412 IonicContact NZ-OD2 3.88Å; K402-D412 PolarHBondContact NZ-OD2 3.02Å
403E89Confident94.3Very high195 Ų19574.2 Ų74.291%0.91140%0.402SS*.THydrogen-bonded Turntrans-61.5-31.2178.7-65.3-169.3165.400112.8L405E403-L405 PolarHBondContact O-N 3.46Å
404D92.4Very high94.2Very high103 Ų10370.8 Ų70.855%0.55138%0.381SS*.THydrogen-bonded Turntrans-81.88.417669-0.9000113.9K402 T406K402-D404 WeakPolarHBondContact CB-OD1 3.44Å; K402-D404 PolarHBondContact O-N 2.78Å; D404-T406 VanDerWaalsContact CG-OG1 3.28Å; D404-T406 PolarHBondContact O-N 2.69Å; D404-T406 WeakPolarHBondContact OD1-CB 3.22Å; D404-T406 PolarHBondContact OD1-N 2.91Å; D404-T406 PolarHBondContact OD1-OG1 2.95Å; D404-T406 PolarHBondContact OD2-OG1 3.22Å
405L92Very high94Very high139 Ų13969.8 Ų69.873%0.72838%0.384SS*.SBendtrans66.813.5-179.2-49.6176.4000115.1K402 E403K402-L405 PolarHBondContact O-N 3.1Å; E403-L405 PolarHBondContact O-N 3.46Å
406T94.9Very high93.7Very high53 Ų5371.3 Ų71.333%0.32539%0.391SS..PPolyproline II helixtrans-88.6154173.267.60000111.7T401 K402 D404T401-T406 WeakPolarHBondContact CB-O 3.44Å; K402-T406 WeakPolarHBondContact CE-OG1 3.46Å; K402-T406 PolarHBondContact N-O 3.43Å; D404-T406 VanDerWaalsContact CG-OG1 3.28Å; D404-T406 PolarHBondContact O-N 2.69Å; D404-T406 WeakPolarHBondContact OD1-CB 3.22Å; D404-T406 PolarHBondContact OD1-N 2.91Å; D404-T406 PolarHBondContact OD1-OG1 2.95Å; D404-T406 PolarHBondContact OD2-OG1 3.22Å
407P95.6Very high93.4Very high74 Ų7471.4 Ų71.448%0.48140%0.4SS..PPolyproline II helixtrans-65.6155.7174.427.9-34.9000111.5N396 K402N396-P407 VanDerWaalsContact OD1-CB 3.31Å; N396-P407 WeakPolarHBondContact OD1-CB 3.24Å; K402-P407 WeakPolarHBondContact CE-O 3.27Å
408F96.2Very high93.3Very high6 Ų665.5 Ų65.53%0.02637%0.369CS..PPolyproline II helixtrans-71138.9173.4-75.8-88.3000110.6I392 L395 N396 I400 T401 K402 D412 P418I392-F408 HydrophobicContact CD1-CB 3.9Å; I392-F408 HydrophobicContact CD1-CD1 4.41Å; I392-F408 HydrophobicContact CD1-CG 4.47Å; I392-F408 HydrophobicContact CG2-CB 4.15Å; L395-F408 HydrophobicContact CB-CD2 4.09Å; L395-F408 HydrophobicContact CD1-CD2 4.04Å; L395-F408 HydrophobicContact CD1-CE2 4.31Å; L395-F408 HydrophobicContact CD1-CG 4.18Å; N396-F408 PolarHBondContact ND2-O 3.11Å; N396-F408 PolarHBondContact OD1-N 3.3Å; I400-F408 HydrophobicContact CG2-CE2 4.38Å; I400-F408 WeakPolarHBondContact O-CD2 3.24Å; I400-F408 WeakPolarHBondContact O-CE2 3.41Å; T401-F408 VanDerWaalsContact C-CE2 3.4Å; K402-F408 HydrophobicContact CB-CZ 4.49Å; K402-F408 HydrophobicContact CD-CD1 4.25Å; K402-F408 HydrophobicContact CD-CE1 4.27Å; K402-F408 HydrophobicContact CG-CD1 3.82Å; K402-F408 HydrophobicContact CG-CD2 4.31Å; K402-F408 HydrophobicContact CG-CE1 3.55Å; K402-F408 HydrophobicContact CG-CE2 4.08Å; K402-F408 HydrophobicContact CG-CG 4.17Å; K402-F408 HydrophobicContact CG-CZ 3.66Å; F408-D412 HydrophobicContact CD1-CB 4.03Å; F408-P418 HydrophobicContact CE1-CG 4.48Å; F408-P418 HydrophobicContact CE2-CB 3.97Å; F408-P418 HydrophobicContact CE2-CG 4.43Å; F408-P418 HydrophobicContact CZ-CB 3.74Å; F408-P418 HydrophobicContact CZ-CG 3.7Å
409Q95.7Very high93.3Very high128 Ų12862.9 Ų62.960%0.59836%0.355SS*.  trans-112.9155.7175.3-62.1-175.7-9.600109.9G411 D412Q409-G411 PolarHBondContact O-N 3.05Å; Q409-D412 PolarHBondContact N-OD2 3.03Å; Q409-D412 VanDerWaalsContact O-CB 3.3Å; Q409-D412 WeakPolarHBondContact O-CB 3.26Å; Q409-D412 PolarHBondContact O-N 3.5Å
410Y94.5Very high93.2Very high106 Ų10662 Ų6242%0.41633%0.334SS..THydrogen-bonded Turntrans-58.7128.5172.7-179.6-83000109.8Y388 L453Y388-Y410 HydrophobicContact CD1-CD2 4.44Å; Y388-Y410 HydrophobicContact CD1-CE2 4.29Å; Y388-Y410 AromaticContact CE1-CD2 3.97Å; Y388-Y410 HydrophobicContact CE1-CD2 3.97Å; Y388-Y410 HydrophobicContact CE1-CE2 4.13Å; Y388-Y410 HydrophobicContact CE1-CG 4.5Å; Y410-L453 VanDerWaalsContact OH-CD2 3.24Å; Y410-L453 WeakPolarHBondContact OH-CD2 3.3Å
411G93.2Very high93.3Very high34 Ų3467 Ų6735%0.35135%0.351SS..THydrogen-bonded Turntrans97.4-9-174.400000114Y388 Q409Y388-G411 WeakPolarHBondContact OH-CA 3.21Å; Y388-G411 PolarHBondContact OH-N 3.41Å; Q409-G411 PolarHBondContact O-N 3.05Å
412D94.1Very high93.4Very high39 Ų3964.9 Ų64.921%0.20934%0.339CS..  trans-72137.3169.2-73.4-27.4000110.4Y388 K402 F408 Q409Y388-D412 WeakPolarHBondContact CE2-O 3.3Å; Y388-D412 PolarHBondContact OH-N 3.46Å; Y388-D412 VanDerWaalsContact OH-N 3.12Å; Y388-D412 PolarHBondContact OH-O 3.12Å; K402-D412 WeakPolarHBondContact CD-OD2 3.43Å; K402-D412 IonicContact NZ-OD1 3.82Å; K402-D412 IonicContact NZ-OD2 3.88Å; K402-D412 PolarHBondContact NZ-OD2 3.02Å; F408-D412 HydrophobicContact CD1-CB 4.03Å; Q409-D412 PolarHBondContact N-OD2 3.03Å; Q409-D412 VanDerWaalsContact O-CB 3.3Å; Q409-D412 WeakPolarHBondContact O-CB 3.26Å; Q409-D412 PolarHBondContact O-N 3.5Å
413D93.4Very high93.6Very high97 Ų9762.5 Ų62.552%0.51933%0.328SS..  trans-63.8153.7163.7-174.835.3000110.4P415 L439D413-P415 VanDerWaalsContact O-CD 3.27Å; D413-P415 WeakPolarHBondContact O-CD 3.32Å; D413-L439 HydrophobicContact CB-CD2 4.34Å
414I94.3Very high93.9Very high11 Ų1156.8 Ų56.86%0.05630%0.304CS..  trans-110.195.7176-56.2171.7000108.2Y388 A391 I392 L395 P418 E419Y388-I414 HydrophobicContact CD2-CD1 4.12Å; Y388-I414 HydrophobicContact CE2-CD1 4.07Å; Y388-I414 HydrophobicContact CE2-CG1 4.25Å; A391-I414 HydrophobicContact CB-CD1 4.18Å; I392-I414 HydrophobicContact CD1-CD1 4.02Å; I392-I414 HydrophobicContact CD1-CG1 4.04Å; L395-I414 HydrophobicContact CD1-CD1 3.81Å; L395-I414 HydrophobicContact CD1-CG1 3.97Å; L395-I414 HydrophobicContact CD1-CG2 3.83Å; I414-P418 HydrophobicContact CG2-CB 4.3Å; I414-P418 HydrophobicContact CG2-CG 4.18Å; I414-E419 HydrophobicContact CG2-CB 4.06Å
415P91.6Very high94.1Very high59 Ų5955.8 Ų55.838%0.38330%0.301SS..  trans-63.9171.1-178.2-24.332.9000114.4D413 A417 P418 E419D413-P415 VanDerWaalsContact O-CD 3.27Å; D413-P415 WeakPolarHBondContact O-CD 3.32Å; P415-A417 VanDerWaalsContact C-N 3.34Å; P415-A417 PolarHBondContact O-N 3.46Å; P415-P418 HydrophobicContact CB-CG 4.18Å; P415-P418 HydrophobicContact CG-CG 4.39Å; P415-P418 WeakPolarHBondContact O-CD 3.32Å; P415-P418 WeakPolarHBondContact O-CG 3.4Å; P415-E419 VanDerWaalsContact O-CB 3.27Å; P415-E419 WeakPolarHBondContact O-CB 3.45Å; P415-E419 PolarHBondContact O-N 3.01Å
416E89.2Confident94.2Very high31 Ų3150.6 Ų50.615%0.14527%0.274CS..Hα-helixtrans-47.7-49.7-178.8-175-177.4152.300114R326 R420R326-E416 VanDerWaalsContact CD-OE2 3.22Å; R326-E416 WeakPolarHBondContact CD-OE2 3.22Å; R326-E416 WeakPolarHBondContact CG-OE2 3.14Å; R326-E416 VanDerWaalsContact CZ-CB 3.42Å; R326-E416 VanDerWaalsContact CZ-CG 3.45Å; R326-E416 IonicContact CZ-OE2 3.07Å; R326-E416 VanDerWaalsContact NE-CG 3.35Å; R326-E416 IonicContact NE-OE2 2.72Å; R326-E416 PolarHBondContact NE-OE2 3.18Å; E416-R420 HydrophobicContact CG-CG 4.32Å; E416-R420 VanDerWaalsContact O-CB 3.29Å; E416-R420 WeakPolarHBondContact O-CB 3.3Å; E416-R420 WeakPolarHBondContact O-CG 3.18Å; E416-R420 PolarHBondContact O-N 2.73Å; E416-R420 IonicContact OE1-NH1 3.98Å; E416-R420 PolarHBondContact OE1-NH1 3.29Å
417A91Very high94.2Very high58 Ų5850.6 Ų50.648%0.47929%0.285SS..Hα-helixtrans-65.9-51.3-17300000113.2P415 R421P415-A417 VanDerWaalsContact C-N 3.34Å; P415-A417 PolarHBondContact O-N 3.46Å; A417-R421 WeakPolarHBondContact O-CG 3.21Å; A417-R421 PolarHBondContact O-N 3.39Å; A417-R421 VanDerWaalsContact O-N 3.09Å
418P93.7Very high94.2Very high9 Ų951.7 Ų51.76%0.05828%0.284CS..Hα-helixtrans-64.9-38.8173.923.9-33.3000112.9L395 I400 F408 I414 P415 R420 R421 L422L395-P418 HydrophobicContact CD2-CB 4.1Å; I400-P418 HydrophobicContact CG2-CB 3.69Å; F408-P418 HydrophobicContact CE1-CG 4.48Å; F408-P418 HydrophobicContact CE2-CB 3.97Å; F408-P418 HydrophobicContact CE2-CG 4.43Å; F408-P418 HydrophobicContact CZ-CB 3.74Å; F408-P418 HydrophobicContact CZ-CG 3.7Å; I414-P418 HydrophobicContact CG2-CB 4.3Å; I414-P418 HydrophobicContact CG2-CG 4.18Å; P415-P418 HydrophobicContact CB-CG 4.18Å; P415-P418 HydrophobicContact CG-CG 4.39Å; P415-P418 WeakPolarHBondContact O-CD 3.32Å; P415-P418 WeakPolarHBondContact O-CG 3.4Å; P418-R420 PolarHBondContact O-N 2.92Å; P418-R421 PolarHBondContact O-N 2.82Å; P418-L422 WeakPolarHBondContact O-CB 3.34Å; P418-L422 PolarHBondContact O-N 3.5Å
419E94.8Very high94.3Very high12 Ų1252.3 Ų52.36%0.05629%0.288CS..Hα-helixtrans-56.6-49.2174.6-179.9-167.388.900111.6R326 I414 P415 R421 L422 V423 L460 G465 E466R326-E419 IonicContact NH1-OE1 3.58Å; R326-E419 PolarHBondContact NH1-OE1 2.81Å; I414-E419 HydrophobicContact CG2-CB 4.06Å; P415-E419 VanDerWaalsContact O-CB 3.27Å; P415-E419 WeakPolarHBondContact O-CB 3.45Å; P415-E419 PolarHBondContact O-N 3.01Å; E419-R421 PolarHBondContact O-N 2.79Å; E419-L422 WeakPolarHBondContact O-CB 3.37Å; E419-L422 PolarHBondContact O-N 3.06Å; E419-V423 PolarHBondContact O-N 2.99Å; E419-L460 VanDerWaalsContact CD-CD2 3.43Å; E419-L460 HydrophobicContact CG-CD1 3.71Å; E419-L460 HydrophobicContact CG-CD2 3.64Å; E419-L460 HydrophobicContact CG-CG 4.27Å; E419-G465 WeakPolarHBondContact OE1-CA 3.5Å; E419-E466 WeakPolarHBondContact OE1-CB 3.37Å; E419-E466 PolarHBondContact OE1-N 3.37Å
420R93.3Very high94.4Very high40 Ų4046.2 Ų46.215%0.15126%0.26CS..Hα-helixtrans-61.7-45177.4-76.3177.165.7172.25.8112E416 P418 L422 V423 D424 G463 V464E416-R420 HydrophobicContact CG-CG 4.32Å; E416-R420 VanDerWaalsContact O-CB 3.29Å; E416-R420 WeakPolarHBondContact O-CB 3.3Å; E416-R420 WeakPolarHBondContact O-CG 3.18Å; E416-R420 PolarHBondContact O-N 2.73Å; E416-R420 IonicContact OE1-NH1 3.98Å; E416-R420 PolarHBondContact OE1-NH1 3.29Å; P418-R420 PolarHBondContact O-N 2.92Å; R420-L422 VanDerWaalsContact C-N 3.28Å; R420-L422 PolarHBondContact O-N 2.85Å; R420-V423 WeakPolarHBondContact O-CG1 3.18Å; R420-V423 PolarHBondContact O-N 2.87Å; R420-D424 WeakPolarHBondContact O-CB 3.42Å; R420-D424 PolarHBondContact O-N 2.85Å; R420-G463 VanDerWaalsContact CZ-O 3.29Å; R420-G463 PolarHBondContact NE-O 2.8Å; R420-G463 PolarHBondContact NH2-O 2.84Å; R420-V464 WeakPolarHBondContact CD-O 3.41Å
421R94.4Very high94.6Very high118 Ų11841.2 Ų41.245%0.44524%0.24SC..Hα-helixtrans-61-38.5176.5-73.8-169.7-65.4-1381.6111.9I400 A417 P418 E419 T425I400-R421 HydrophobicContact CD1-CB 3.68Å; I400-R421 HydrophobicContact CG1-CB 4.43Å; A417-R421 WeakPolarHBondContact O-CG 3.21Å; A417-R421 PolarHBondContact O-N 3.39Å; A417-R421 VanDerWaalsContact O-N 3.09Å; P418-R421 PolarHBondContact O-N 2.82Å; E419-R421 PolarHBondContact O-N 2.79Å; R421-T425 VanDerWaalsContact O-CB 3.3Å; R421-T425 WeakPolarHBondContact O-CB 3.33Å; R421-T425 PolarHBondContact O-N 2.82Å; R421-T425 PolarHBondContact O-OG1 3.25Å
422L95.9Very high94.9Very high1 Ų139.7 Ų39.71%0.00522%0.224CC..Hα-helixtrans-61-54.9176.3176.666000111L386 A391 Y394 L395 L398 P418 E419 R420 T425 I426L386-L422 HydrophobicContact CD2-CD2 4.27Å; A391-L422 HydrophobicContact CB-CD2 4Å; Y394-L422 HydrophobicContact CD1-CD1 3.86Å; Y394-L422 HydrophobicContact CD2-CD1 4.28Å; Y394-L422 HydrophobicContact CG-CD1 3.74Å; L395-L422 HydrophobicContact CD2-CB 3.97Å; L395-L422 HydrophobicContact CG-CD2 4.46Å; L398-L422 HydrophobicContact CD1-CD1 4.39Å; P418-L422 WeakPolarHBondContact O-CB 3.34Å; P418-L422 PolarHBondContact O-N 3.5Å; E419-L422 WeakPolarHBondContact O-CB 3.37Å; E419-L422 PolarHBondContact O-N 3.06Å; R420-L422 VanDerWaalsContact C-N 3.28Å; R420-L422 PolarHBondContact O-N 2.85Å; L422-T425 PolarHBondContact O-N 3.14Å; L422-I426 HydrophobicContact CD1-CD1 4.02Å; L422-I426 HydrophobicContact CG-CD1 4.09Å; L422-I426 WeakPolarHBondContact O-CG1 3.23Å; L422-I426 PolarHBondContact O-N 2.99Å
423V96.1Very high95.1Very high0 Ų038.3 Ų38.30%022%0.217CC..Hα-helixtrans-70.8-34.6-177.369.30000113E419 R420 T425 I426 G427 V430 L460 P462E419-V423 PolarHBondContact O-N 2.99Å; R420-V423 WeakPolarHBondContact O-CG1 3.18Å; R420-V423 PolarHBondContact O-N 2.87Å; V423-T425 VanDerWaalsContact C-N 3.29Å; V423-T425 PolarHBondContact O-N 3.04Å; V423-I426 PolarHBondContact O-N 2.83Å; V423-G427 PolarHBondContact O-N 3.22Å; V423-V430 HydrophobicContact CG2-CG2 4.27Å; V423-L460 HydrophobicContact CB-CB 4Å; V423-L460 HydrophobicContact CG1-CB 4.36Å; V423-L460 HydrophobicContact CG2-CB 3.9Å; V423-P462 HydrophobicContact CG2-CG 4.17Å
424D95.5Very high95.3Very high74 Ų7434.5 Ų34.540%0.39620%0.197SC..Hα-helixtrans-64.1-36.3174.8-73.2-16.9000111.6R420 P462 G463R420-D424 WeakPolarHBondContact O-CB 3.42Å; R420-D424 PolarHBondContact O-N 2.85Å; D424-P462 WeakPolarHBondContact OD1-CA 3.42Å; D424-G463 PolarHBondContact OD1-N 3.21Å
425T95.8Very high95.4Very high82 Ų8234.4 Ų34.450%0.50320%0.196SC..Hα-helixtrans-72-37.1175.9-55.80000111.6L398 R421 L422 V423L398-T425 HydrophobicContact CD1-CG2 3.88Å; L398-T425 HydrophobicContact CD2-CG2 3.84Å; R421-T425 VanDerWaalsContact O-CB 3.3Å; R421-T425 WeakPolarHBondContact O-CB 3.33Å; R421-T425 PolarHBondContact O-N 2.82Å; R421-T425 PolarHBondContact O-OG1 3.25Å; L422-T425 PolarHBondContact O-N 3.14Å; V423-T425 VanDerWaalsContact C-N 3.29Å; V423-T425 PolarHBondContact O-N 3.04Å
426I95.4Very high95.7Very high30 Ų3032 Ų3215%0.15418%0.181CC..Hα-helixtrans-67.6-39.3174.7-71.4169000111K384 L386 Y394 L422 V423 E428 V430K384-I426 HydrophobicContact CD-CG2 3.8Å; L386-I426 HydrophobicContact CD2-CD1 4.41Å; Y394-I426 HydrophobicContact CD2-CD1 4.46Å; Y394-I426 HydrophobicContact CE2-CD1 4.11Å; Y394-I426 HydrophobicContact CE2-CG1 4.04Å; L422-I426 HydrophobicContact CD1-CD1 4.02Å; L422-I426 HydrophobicContact CG-CD1 4.09Å; L422-I426 WeakPolarHBondContact O-CG1 3.23Å; L422-I426 PolarHBondContact O-N 2.99Å; V423-I426 PolarHBondContact O-N 2.83Å; I426-E428 HydrophobicContact CG2-CG 3.69Å; I426-E428 PolarHBondContact O-N 2.82Å; I426-V430 HydrophobicContact CB-CG2 4.44Å; I426-V430 HydrophobicContact CD1-CG2 3.91Å; I426-V430 HydrophobicContact CG2-CG2 3.79Å
427G94.5Very high95.9Very high54 Ų5431.4 Ų31.456%0.55718%0.181SC*.  trans80.66.7172.300000115.8V423V423-G427 PolarHBondContact O-N 3.22Å
428E95.8Very high95.8Very high97 Ų9732.4 Ų32.445%0.45320%0.196SC..SBendtrans-143.2161.8178.660.5-179.3-173.400111.2I426I426-E428 HydrophobicContact CG2-CG 3.69Å; I426-E428 PolarHBondContact O-N 2.82Å
429P97.8Very high95.7Very high18 Ų1835 Ų3512%0.11721%0.209CC..  trans-59.3135.8176.2-24.635.1000113.2P379 F383 K384 L459 L460 V461P379-P429 HydrophobicContact CB-CG 3.87Å; F383-P429 HydrophobicContact CB-CB 4.49Å; F383-P429 HydrophobicContact CD1-CB 3.97Å; F383-P429 HydrophobicContact CD1-CG 4.33Å; F383-P429 HydrophobicContact CD2-CB 3.92Å; F383-P429 HydrophobicContact CE1-CB 4.16Å; F383-P429 HydrophobicContact CE1-CG 4.19Å; F383-P429 HydrophobicContact CE2-CB 4.08Å; F383-P429 HydrophobicContact CG-CB 3.87Å; F383-P429 HydrophobicContact CZ-CB 4.2Å; F383-P429 HydrophobicContact CZ-CG 4.37Å; K384-P429 PolarHBondContact N-O 3.12Å; K384-P429 VanDerWaalsContact N-O 3.15Å; P429-L459 HydrophobicContact CB-CD1 4.17Å; P429-L460 WeakPolarHBondContact CA-O 3.32Å; P429-V461 HydrophobicContact CB-CG1 4.35Å
430V98.4Very high95.4Very high1 Ų136.8 Ų36.81%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-124.4124.6-178.3-179.90000110.3K384 L386 V423 I426 L432 L460K384-V430 HydrophobicContact CB-CG2 4.24Å; K384-V430 HydrophobicContact CD-CG2 4.17Å; K384-V430 CarbonylContact O-C 3.29Å; K384-V430 VanDerWaalsContact O-CA 3.3Å; K384-V430 WeakPolarHBondContact O-CA 3.48Å; L386-V430 HydrophobicContact CB-CG1 3.67Å; L386-V430 HydrophobicContact CD2-CG1 4.24Å; V423-V430 HydrophobicContact CG2-CG2 4.27Å; I426-V430 HydrophobicContact CB-CG2 4.44Å; I426-V430 HydrophobicContact CD1-CG2 3.91Å; I426-V430 HydrophobicContact CG2-CG2 3.79Å; V430-L432 PolarHBondContact O-N 3.25Å; V430-L460 HydrophobicContact CB-CB 4.37Å; V430-L460 PolarHBondContact N-O 3.03Å; V430-L460 PolarHBondContact O-N 3.4Å
431L98.7Very high95.2Very high0 Ų036.3 Ų36.30%022%0.218CC..EExtended strand (participates in β ladder)trans-86.6100.9164.8-67165.1000107.9L347 I350 F383 K384 L386 V457 L459L347-L431 HydrophobicContact CB-CD1 4.17Å; L347-L431 HydrophobicContact CD2-CB 4.38Å; L347-L431 HydrophobicContact CD2-CD1 4.27Å; L347-L431 HydrophobicContact CD2-CD2 4.4Å; I350-L431 HydrophobicContact CG2-CD2 4Å; F383-L431 HydrophobicContact CB-CD1 4.01Å; F383-L431 HydrophobicContact CB-CG 4.16Å; F383-L431 HydrophobicContact CD2-CD1 4.47Å; F383-L431 HydrophobicContact CD2-CG 4.34Å; K384-L431 PolarHBondContact O-N 3.46Å; L386-L431 PolarHBondContact N-O 3.39Å; L431-V457 HydrophobicContact CB-CG2 4.11Å; L431-V457 HydrophobicContact CD2-CG2 3.71Å; L431-L459 HydrophobicContact CD2-CB 4.1Å; L431-L459 HydrophobicContact CD2-CD1 3.84Å; L431-L459 HydrophobicContact CD2-CG 4.48Å; L431-L459 HydrophobicContact CG-CD1 4.22Å
432L98.5Very high95Very high3 Ų331.7 Ų31.72%0.01620%0.202CC..EExtended strand (participates in β ladder)trans-85.5116.2177.1-177.758.3000109.2L386 A391 V430 F435 V457 D458 L460L386-L432 HydrophobicContact CB-CD1 4.32Å; L386-L432 HydrophobicContact CD2-CD1 4.33Å; L386-L432 HydrophobicContact CG-CD1 4.24Å; L386-L432 CarbonylContact O-C 3.53Å; L386-L432 VanDerWaalsContact O-CA 3.24Å; L386-L432 WeakPolarHBondContact O-CA 3.34Å; L386-L432 WeakPolarHBondContact O-CD1 3.45Å; A391-L432 HydrophobicContact CB-CD1 3.62Å; V430-L432 PolarHBondContact O-N 3.25Å; L432-F435 HydrophobicContact CB-CZ 4.25Å; L432-F435 HydrophobicContact CD2-CE1 3.89Å; L432-F435 HydrophobicContact CD2-CZ 3.53Å; L432-F435 HydrophobicContact CG-CE1 4.21Å; L432-F435 HydrophobicContact CG-CE2 4.09Å; L432-F435 HydrophobicContact CG-CZ 3.57Å; L432-F435 WeakPolarHBondContact O-CE2 3.45Å; L432-V457 CarbonylContact O-C 3.54Å; L432-V457 WeakPolarHBondContact O-CA 3.29Å; L432-D458 PolarHBondContact N-O 3.07Å; L432-D458 PolarHBondContact O-N 2.91Å; L432-L460 HydrophobicContact CB-CD1 4.21Å; L432-L460 HydrophobicContact CB-CG 4.35Å; L432-L460 HydrophobicContact CD2-CD1 4Å
433T98.4Very high94.9Very high10 Ų1031.9 Ų31.96%0.06120%0.202CC..EExtended strand (participates in β ladder)trans-121.6169.2-170.168.60000113.8L347 L386 K387 Y388 S456 V457L347-T433 HydrophobicContact CD1-CG2 4.22Å; L347-T433 HydrophobicContact CD2-CG2 3.87Å; L386-T433 PolarHBondContact O-N 2.99Å; K387-T433 CarbonylContact C-O 3.48Å; K387-T433 WeakPolarHBondContact CA-O 3.32Å; Y388-T433 PolarHBondContact N-O 2.95Å; T433-S456 VanDerWaalsContact CA-O 3.26Å; T433-S456 WeakPolarHBondContact CA-O 3.27Å; T433-V457 HydrophobicContact CG2-CB 4.16Å; T433-V457 HydrophobicContact CG2-CG2 4.06Å
434N97.9Very high94.9Very high17 Ų1732.6 Ų32.69%0.09121%0.206CC..  trans60.354169.6-55.9100.1000113.9Y388 T447 L453 T454 S456Y388-N434 WeakPolarHBondContact CB-O 3.46Å; N434-T447 PolarHBondContact ND2-OG1 2.84Å; N434-L453 HydrophobicContact CB-CB 4.47Å; N434-L453 HydrophobicContact CB-CD1 4.19Å; N434-T454 VanDerWaalsContact CA-O 3.27Å; N434-T454 WeakPolarHBondContact CA-O 3.32Å; N434-S456 PolarHBondContact N-O 3.02Å; N434-S456 VanDerWaalsContact N-O 3.11Å
435F97.9Very high94.9Very high8 Ų830.5 Ų30.54%0.03519%0.194CC..  trans-69.2152175.9-69.7-94.1000111.3Y388 L432 A437 K440 L453 T454 S456 D458Y388-F435 AromaticContact CD2-CD1 3.73Å; Y388-F435 HydrophobicContact CD2-CD1 3.73Å; Y388-F435 HydrophobicContact CD2-CE1 4.14Å; Y388-F435 HydrophobicContact CG-CD1 4.35Å; L432-F435 HydrophobicContact CB-CZ 4.25Å; L432-F435 HydrophobicContact CD2-CE1 3.89Å; L432-F435 HydrophobicContact CD2-CZ 3.53Å; L432-F435 HydrophobicContact CG-CE1 4.21Å; L432-F435 HydrophobicContact CG-CE2 4.09Å; L432-F435 HydrophobicContact CG-CZ 3.57Å; L432-F435 WeakPolarHBondContact O-CE2 3.45Å; F435-A437 PolarHBondContact O-N 3.35Å; F435-K440 HydrophobicContact CB-CD 4.32Å; F435-K440 HydrophobicContact CB-CG 3.77Å; F435-K440 VanDerWaalsContact CD2-CE 3.49Å; F435-K440 HydrophobicContact CG-CD 4.5Å; F435-K440 HydrophobicContact CG-CG 4.47Å; F435-L453 CarbonylContact O-C 3.6Å; F435-L453 WeakPolarHBondContact O-CA 3.17Å; F435-T454 PolarHBondContact O-N 2.89Å; F435-T454 PolarHBondContact O-OG1 3.18Å; F435-T454 VanDerWaalsContact O-OG1 3.06Å; F435-S456 WeakPolarHBondContact CD2-OG 3.36Å; F435-S456 PolarHBondContact N-OG 3.44Å; F435-D458 HydrophobicContact CE2-CB 4.04Å; F435-D458 VanDerWaalsContact CE2-OD2 3.3Å; F435-D458 WeakPolarHBondContact CE2-OD2 3.49Å; F435-D458 HydrophobicContact CZ-CB 4.01Å; F435-D458 WeakPolarHBondContact CZ-OD2 3.2Å
436P96.8Very high94.9Very high10 Ų1031.3 Ų31.37%0.06519%0.188CC..BIsolated β-bridgetrans-59.1136.3172.5-25.233.3000112.4Y388 G438 L439 R452Y388-P436 VanDerWaalsContact CD1-CD 3.4Å; Y388-P436 HydrophobicContact CD1-CG 3.64Å; Y388-P436 HydrophobicContact CE1-CG 3.35Å; Y388-P436 HydrophobicContact CE2-CG 4.4Å; Y388-P436 HydrophobicContact CG-CG 4.29Å; P436-G438 PolarHBondContact O-N 2.98Å; P436-G438 VanDerWaalsContact O-N 3.14Å; P436-L439 HydrophobicContact CB-CD1 4.24Å; P436-L439 HydrophobicContact CB-CG 4.31Å; P436-L439 HydrophobicContact CG-CD1 4.03Å; P436-L439 PolarHBondContact O-N 3.33Å; P436-R452 CarbonylContact C-O 3.58Å; P436-R452 WeakPolarHBondContact CA-O 3.42Å
437A93.1Very high95Very high18 Ų1831 Ų3115%0.14919%0.188CC..G310 helixtrans-50-37.417900000114.8F435 L439 R446 R452F435-A437 PolarHBondContact O-N 3.35Å; A437-L439 VanDerWaalsContact C-N 3.3Å; A437-L439 PolarHBondContact O-N 3.14Å; A437-R446 VanDerWaalsContact CA-NH1 3.31Å; A437-R452 VanDerWaalsContact CB-O 3.32Å; A437-R452 WeakPolarHBondContact CB-O 3.44Å; A437-R452 PolarHBondContact N-O 3.06Å
438G90.1Very high95Very high78 Ų7838.1 Ų38.180%0.80420%0.204SC*.G310 helixtrans-79.1-7.2-178.600000114.8P436P436-G438 PolarHBondContact O-N 2.98Å; P436-G438 VanDerWaalsContact O-N 3.14Å
439L89.9Confident94.9Very high64 Ų6437.7 Ų37.734%0.33523%0.225SC..G310 helixtrans-100.1-8.3177.1-66-179.8000113Y388 D413 P436 A437Y388-L439 HydrophobicContact CE2-CD1 4.28Å; D413-L439 HydrophobicContact CB-CD2 4.34Å; P436-L439 HydrophobicContact CB-CD1 4.24Å; P436-L439 HydrophobicContact CB-CG 4.31Å; P436-L439 HydrophobicContact CG-CD1 4.03Å; P436-L439 PolarHBondContact O-N 3.33Å; A437-L439 VanDerWaalsContact C-N 3.3Å; A437-L439 PolarHBondContact O-N 3.14Å
440K90.4Very high94.8Very high49 Ų4938.6 Ų38.621%0.21323%0.229CC..SBendtrans-124.6159.6-172.9-66.7-67.8-172173.40110.4F435 M444 D458F435-K440 HydrophobicContact CB-CD 4.32Å; F435-K440 HydrophobicContact CB-CG 3.77Å; F435-K440 VanDerWaalsContact CD2-CE 3.49Å; F435-K440 HydrophobicContact CG-CD 4.5Å; F435-K440 HydrophobicContact CG-CG 4.47Å; K440-M444 HydrophobicContact CB-CE 4.49Å; K440-M444 HydrophobicContact CB-SD 3.61Å; K440-M444 HydrophobicContact CD-CE 4.13Å; K440-M444 HydrophobicContact CD-SD 4.04Å; K440-M444 HydrophobicContact CG-SD 3.91Å; K440-D458 IonicContact NZ-OD1 3.9Å; K440-D458 PolarHBondContact NZ-OD1 3.26Å; K440-D458 IonicContact NZ-OD2 2.84Å; K440-D458 PolarHBondContact NZ-OD2 2.97Å
441V88.9Confident94.5Very high30 Ų3046.2 Ų46.218%0.18226%0.264CS..  trans-65153.3-177.8-65.70000114Y443 M444V441-Y443 VanDerWaalsContact C-N 3.26Å; V441-Y443 HydrophobicContact CB-CD1 4.03Å; V441-Y443 HydrophobicContact CB-CE1 3.67Å; V441-Y443 HydrophobicContact CG1-CE1 4.28Å; V441-Y443 HydrophobicContact CG2-CD1 3.76Å; V441-Y443 HydrophobicContact CG2-CD2 3.92Å; V441-Y443 HydrophobicContact CG2-CE1 3.26Å; V441-Y443 HydrophobicContact CG2-CE2 3.44Å; V441-Y443 VanDerWaalsContact CG2-CE2 3.44Å; V441-Y443 HydrophobicContact CG2-CG 4.08Å; V441-Y443 WeakPolarHBondContact CG2-OH 3.28Å; V441-Y443 PolarHBondContact O-N 3.16Å; V441-Y443 VanDerWaalsContact O-N 3.16Å; V441-M444 HydrophobicContact CG2-CE 3.75Å; V441-M444 HydrophobicContact CG2-CG 3.7Å; V441-M444 HydrophobicContact CG2-SD 4.24Å; V441-M444 PolarHBondContact O-N 3.35Å
442F89.4Confident94.3Very high22 Ų2253.5 Ų53.510%0.09629%0.292CS..THydrogen-bonded Turntrans-61.4-24.7-170.977-82.9000115.9M444 L480 Y484 E487F442-M444 VanDerWaalsContact C-N 3.29Å; F442-M444 PolarHBondContact O-N 3.04Å; F442-L480 HydrophobicContact CD2-CD1 4.41Å; F442-L480 HydrophobicContact CE2-CD1 3.95Å; F442-Y484 AromaticContact CE2-CD1 3.81Å; F442-Y484 HydrophobicContact CE2-CD1 3.81Å; F442-Y484 AromaticContact CE2-CE1 3.61Å; F442-Y484 HydrophobicContact CE2-CE1 3.61Å; F442-Y484 HydrophobicContact CZ-CD1 4.08Å; F442-Y484 AromaticContact CZ-CE1 3.74Å; F442-Y484 HydrophobicContact CZ-CE1 3.74Å; F442-E487 HydrophobicContact CB-CG 3.7Å; F442-E487 HydrophobicContact CD1-CG 3.87Å; F442-E487 HydrophobicContact CG-CG 4.02Å
443Y92.8Very high94.2Very high4 Ų453.9 Ų53.92%0.01629%0.294CS..THydrogen-bonded Turntrans-80.6-6-176.957.7-106000113.8V274 E275 V441 R473 V474V274-Y443 HydrophobicContact CG1-CE1 3.96Å; E275-Y443 PolarHBondContact OE1-OH 3.05Å; E275-Y443 VanDerWaalsContact OE1-OH 3.07Å; V441-Y443 VanDerWaalsContact C-N 3.26Å; V441-Y443 HydrophobicContact CB-CD1 4.03Å; V441-Y443 HydrophobicContact CB-CE1 3.67Å; V441-Y443 HydrophobicContact CG1-CE1 4.28Å; V441-Y443 HydrophobicContact CG2-CD1 3.76Å; V441-Y443 HydrophobicContact CG2-CD2 3.92Å; V441-Y443 HydrophobicContact CG2-CE1 3.26Å; V441-Y443 HydrophobicContact CG2-CE2 3.44Å; V441-Y443 VanDerWaalsContact CG2-CE2 3.44Å; V441-Y443 HydrophobicContact CG2-CG 4.08Å; V441-Y443 WeakPolarHBondContact CG2-OH 3.28Å; V441-Y443 PolarHBondContact O-N 3.16Å; V441-Y443 VanDerWaalsContact O-N 3.16Å; Y443-R473 WeakPolarHBondContact O-CA 3.5Å; Y443-V474 PolarHBondContact O-N 2.88Å
444M96.2Very high94.2Very high15 Ų1553.4 Ų53.47%0.07429%0.291CS..BIsolated β-bridgetrans-77.9128.9-179.5-59.7-160.4169.500111.8K440 V441 F442 T454 S471K440-M444 HydrophobicContact CB-CE 4.49Å; K440-M444 HydrophobicContact CB-SD 3.61Å; K440-M444 HydrophobicContact CD-CE 4.13Å; K440-M444 HydrophobicContact CD-SD 4.04Å; K440-M444 HydrophobicContact CG-SD 3.91Å; V441-M444 HydrophobicContact CG2-CE 3.75Å; V441-M444 HydrophobicContact CG2-CG 3.7Å; V441-M444 HydrophobicContact CG2-SD 4.24Å; V441-M444 PolarHBondContact O-N 3.35Å; F442-M444 VanDerWaalsContact C-N 3.29Å; F442-M444 PolarHBondContact O-N 3.04Å; M444-T454 HydrophobicContact CB-CG2 3.83Å; M444-S471 WeakPolarHBondContact CG-OG 3.17Å
445L97.1Very high94.2Very high30 Ų3053.7 Ų53.716%0.15729%0.292CS..PPolyproline II helixtrans-61.2142177.7-171.466.3000111.1T454 D455 M472L445-T454 CarbonylContact O-C 3.43Å; L445-T454 VanDerWaalsContact O-CA 3.24Å; L445-T454 WeakPolarHBondContact O-CA 3.44Å; L445-D455 HydrophobicContact CB-CB 4.48Å; L445-D455 PolarHBondContact O-N 3.01Å; L445-M472 HydrophobicContact CB-CB 3.77Å; L445-M472 HydrophobicContact CD2-CB 3.87Å; L445-M472 HydrophobicContact CG-CB 4.48Å; L445-M472 PolarHBondContact N-O 3.28Å
446R96.1Very high94.2Very high99 Ų9953.3 Ų53.337%0.37429%0.291SS..EExtended strand (participates in β ladder)trans-76.4142.5174.1-60.3-54.8-171.8-1531.4111.2A437 K448 E451 L453 T454A437-R446 VanDerWaalsContact CA-NH1 3.31Å; R446-K448 PolarHBondContact O-N 3.47Å; R446-E451 WeakPolarHBondContact CD-O 3.43Å; R446-L453 WeakPolarHBondContact CA-O 3.14Å; R446-T454 VanDerWaalsContact NH1-CG2 3.27Å
447T96.5Very high94.3Very high23 Ų2352.8 Ų52.814%0.14129%0.288CS..EExtended strand (participates in β ladder)trans-67126.6177.3-62.40000110.7N434 G449 D450 L453 T454 D455N434-T447 PolarHBondContact ND2-OG1 2.84Å; T447-G449 PolarHBondContact O-N 2.89Å; T447-G449 VanDerWaalsContact O-N 3.14Å; T447-D450 CarbonylContact O-C 3.57Å; T447-D450 VanDerWaalsContact O-C 3.29Å; T447-D450 PolarHBondContact O-N 2.82Å; T447-L453 PolarHBondContact N-O 3.45Å; T447-T454 VanDerWaalsContact OG1-C 3.28Å; T447-T454 PolarHBondContact OG1-O 2.96Å; T447-D455 WeakPolarHBondContact CA-OD1 3.29Å; T447-D455 VanDerWaalsContact CB-OD1 3.24Å; T447-D455 WeakPolarHBondContact CB-OD1 3.24Å; T447-D455 WeakPolarHBondContact CG2-OD1 3.5Å; T447-D455 PolarHBondContact OG1-OD1 3.07Å
448K93.9Very high94.5Very high205 Ų20552.6 Ų52.689%0.89128%0.284SS*.THydrogen-bonded Turntrans-59.1119.7178.7-173.2177.5-177.5175.60110.9R446R446-K448 PolarHBondContact O-N 3.47Å
449G94.3Very high94.9Very high87 Ų8748.9 Ų48.990%0.89725%0.245SC*.THydrogen-bonded Turntrans93.3-9.2-179.500000115T447T447-G449 PolarHBondContact O-N 2.89Å; T447-G449 VanDerWaalsContact O-N 3.14Å
450D94.8Very high95.3Very high38 Ų3845.9 Ų45.920%0.20323%0.23CC..EExtended strand (participates in β ladder)trans-146.989.9170.4-166.8-10.2000110.7T447 R452 L453T447-D450 CarbonylContact O-C 3.57Å; T447-D450 VanDerWaalsContact O-C 3.29Å; T447-D450 PolarHBondContact O-N 2.82Å; D450-R452 PolarHBondContact O-N 3.49Å; D450-R452 VanDerWaalsContact OD1-CB 3.3Å; D450-R452 WeakPolarHBondContact OD1-CB 3.43Å; D450-R452 WeakPolarHBondContact OD1-CG 3.5Å; D450-R452 IonicContact OD1-CZ 3.77Å; D450-R452 PolarHBondContact OD1-N 3.04Å; D450-R452 IonicContact OD1-NE 3.21Å; D450-R452 PolarHBondContact OD1-NE 2.54Å; D450-R452 IonicContact OD1-NH2 3.39Å; D450-R452 IonicContact OD2-CZ 3.99Å; D450-R452 IonicContact OD2-NE 3.08Å; D450-R452 IonicContact OD2-NH2 2.78Å; D450-R452 PolarHBondContact OD2-NH2 3.09Å; D450-L453 HydrophobicContact CB-CD1 4.3Å; D450-L453 HydrophobicContact CB-CG 4.45Å; D450-L453 PolarHBondContact O-N 3.29Å
451E92.4Very high95.6Very high161 Ų16143.5 Ų43.575%0.75222%0.22SC*.EExtended strand (participates in β ladder)trans-65.1-8.9-177.8-64.4-175.6173.500113.9R446 L453R446-E451 WeakPolarHBondContact CD-O 3.43Å; E451-L453 PolarHBondContact O-N 3.22Å
452R94.1Very high95.9Very high152 Ų15243.9 Ų43.957%0.57422%0.222SC*.EExtended strand (participates in β ladder)trans-75.4-14.4174.1-55173.8-62.6153.45.8112.2P436 A437 D450P436-R452 CarbonylContact C-O 3.58Å; P436-R452 WeakPolarHBondContact CA-O 3.42Å; A437-R452 VanDerWaalsContact CB-O 3.32Å; A437-R452 WeakPolarHBondContact CB-O 3.44Å; A437-R452 PolarHBondContact N-O 3.06Å; D450-R452 PolarHBondContact O-N 3.49Å; D450-R452 VanDerWaalsContact OD1-CB 3.3Å; D450-R452 WeakPolarHBondContact OD1-CB 3.43Å; D450-R452 WeakPolarHBondContact OD1-CG 3.5Å; D450-R452 IonicContact OD1-CZ 3.77Å; D450-R452 PolarHBondContact OD1-N 3.04Å; D450-R452 IonicContact OD1-NE 3.21Å; D450-R452 PolarHBondContact OD1-NE 2.54Å; D450-R452 IonicContact OD1-NH2 3.39Å; D450-R452 IonicContact OD2-CZ 3.99Å; D450-R452 IonicContact OD2-NE 3.08Å; D450-R452 IonicContact OD2-NH2 2.78Å; D450-R452 PolarHBondContact OD2-NH2 3.09Å
453L96.8Very high95.9Very high11 Ų1144.6 Ų44.66%0.05824%0.236CC..EExtended strand (participates in β ladder)trans-113.7156.8-176.8-55.4178.9000110.9Y410 N434 F435 R446 T447 D450 E451Y410-L453 VanDerWaalsContact OH-CD2 3.24Å; Y410-L453 WeakPolarHBondContact OH-CD2 3.3Å; N434-L453 HydrophobicContact CB-CB 4.47Å; N434-L453 HydrophobicContact CB-CD1 4.19Å; F435-L453 CarbonylContact O-C 3.6Å; F435-L453 WeakPolarHBondContact O-CA 3.17Å; R446-L453 WeakPolarHBondContact CA-O 3.14Å; T447-L453 PolarHBondContact N-O 3.45Å; D450-L453 HydrophobicContact CB-CD1 4.3Å; D450-L453 HydrophobicContact CB-CG 4.45Å; D450-L453 PolarHBondContact O-N 3.29Å; E451-L453 PolarHBondContact O-N 3.22Å
454T97.7Very high95.9Very high0 Ų045.2 Ų45.20%024%0.24CC..EExtended strand (participates in β ladder)trans-109148172.948.50000111.8N434 F435 M444 L445 R446 T447 S456N434-T454 VanDerWaalsContact CA-O 3.27Å; N434-T454 WeakPolarHBondContact CA-O 3.32Å; F435-T454 PolarHBondContact O-N 2.89Å; F435-T454 PolarHBondContact O-OG1 3.18Å; F435-T454 VanDerWaalsContact O-OG1 3.06Å; M444-T454 HydrophobicContact CB-CG2 3.83Å; L445-T454 CarbonylContact O-C 3.43Å; L445-T454 VanDerWaalsContact O-CA 3.24Å; L445-T454 WeakPolarHBondContact O-CA 3.44Å; R446-T454 VanDerWaalsContact NH1-CG2 3.27Å; T447-T454 VanDerWaalsContact OG1-C 3.28Å; T447-T454 PolarHBondContact OG1-O 2.96Å; T454-S456 PolarHBondContact O-N 3.32Å; T454-S456 PolarHBondContact O-OG 2.97Å; T454-S456 WeakPolarHBondContact OG1-CB 3.5Å; T454-S456 PolarHBondContact OG1-OG 3.41Å
455D98.2Very high95.8Very high23 Ų2344.5 Ų44.512%0.12324%0.237CC..SBendtrans-77.162.5169.2-79.20.5000110.4L343 L445 T447 S471 M472L343-D455 HydrophobicContact CB-CB 4.37Å; L343-D455 HydrophobicContact CD1-CB 4.43Å; L343-D455 HydrophobicContact CD2-CB 4.17Å; L445-D455 HydrophobicContact CB-CB 4.48Å; L445-D455 PolarHBondContact O-N 3.01Å; T447-D455 WeakPolarHBondContact CA-OD1 3.29Å; T447-D455 VanDerWaalsContact CB-OD1 3.24Å; T447-D455 WeakPolarHBondContact CB-OD1 3.24Å; T447-D455 WeakPolarHBondContact CG2-OD1 3.5Å; T447-D455 PolarHBondContact OG1-OD1 3.07Å; D455-S471 CarbonylContact O-C 3.55Å; D455-S471 VanDerWaalsContact O-CA 3.29Å; D455-S471 WeakPolarHBondContact O-CA 3.24Å; D455-S471 WeakPolarHBondContact O-CB 3.19Å; D455-M472 HydrophobicContact CB-CB 3.81Å; D455-M472 HydrophobicContact CB-CG 3.84Å; D455-M472 PolarHBondContact O-N 2.92Å
456S98.4Very high95.8Very high0 Ų045.2 Ų45.20%024%0.239CC..EExtended strand (participates in β ladder)trans-111.4153.2-176.854.40000110.7T433 N434 F435 T454 G470T433-S456 VanDerWaalsContact CA-O 3.26Å; T433-S456 WeakPolarHBondContact CA-O 3.27Å; N434-S456 PolarHBondContact N-O 3.02Å; N434-S456 VanDerWaalsContact N-O 3.11Å; F435-S456 WeakPolarHBondContact CD2-OG 3.36Å; F435-S456 PolarHBondContact N-OG 3.44Å; T454-S456 PolarHBondContact O-N 3.32Å; T454-S456 PolarHBondContact O-OG 2.97Å; T454-S456 WeakPolarHBondContact OG1-CB 3.5Å; T454-S456 PolarHBondContact OG1-OG 3.41Å; S456-G470 WeakPolarHBondContact CA-O 3.39Å
457V98.7Very high95.8Very high0 Ų040.6 Ų40.60%022%0.222CC..EExtended strand (participates in β ladder)trans-142.3135.3176.455.30000110.9L346 L347 I350 L431 L432 T433 G470L346-V457 HydrophobicContact CD2-CG1 4.04Å; L346-V457 HydrophobicContact CG-CG1 4.37Å; L347-V457 HydrophobicContact CD2-CB 3.65Å; L347-V457 HydrophobicContact CD2-CG1 3.99Å; L347-V457 HydrophobicContact CD2-CG2 3.41Å; L347-V457 VanDerWaalsContact CD2-CG2 3.41Å; I350-V457 HydrophobicContact CD1-CG1 3.56Å; L431-V457 HydrophobicContact CB-CG2 4.11Å; L431-V457 HydrophobicContact CD2-CG2 3.71Å; L432-V457 CarbonylContact O-C 3.54Å; L432-V457 WeakPolarHBondContact O-CA 3.29Å; T433-V457 HydrophobicContact CG2-CB 4.16Å; T433-V457 HydrophobicContact CG2-CG2 4.06Å; V457-G470 PolarHBondContact N-O 2.93Å; V457-G470 PolarHBondContact O-N 2.92Å
458D98.3Very high95.9Very high13 Ų1339.6 Ų39.67%0.0722%0.216CC..EExtended strand (participates in β ladder)trans-116.6126.5164.9-62.7-18.7000108.4L432 F435 K440 L460 E466 V468L432-D458 PolarHBondContact N-O 3.07Å; L432-D458 PolarHBondContact O-N 2.91Å; F435-D458 HydrophobicContact CE2-CB 4.04Å; F435-D458 VanDerWaalsContact CE2-OD2 3.3Å; F435-D458 WeakPolarHBondContact CE2-OD2 3.49Å; F435-D458 HydrophobicContact CZ-CB 4.01Å; F435-D458 WeakPolarHBondContact CZ-OD2 3.2Å; K440-D458 IonicContact NZ-OD1 3.9Å; K440-D458 PolarHBondContact NZ-OD1 3.26Å; K440-D458 IonicContact NZ-OD2 2.84Å; K440-D458 PolarHBondContact NZ-OD2 2.97Å; D458-L460 HydrophobicContact CB-CD2 4.4Å; D458-E466 HydrophobicContact CB-CG 4.37Å; D458-V468 CarbonylContact C-O 3.48Å; D458-V468 VanDerWaalsContact CA-O 3.3Å; D458-V468 WeakPolarHBondContact CA-O 3.43Å
459L98.5Very high96.1Very high0 Ų030.8 Ų30.80%018%0.183CC..EExtended strand (participates in β ladder)trans-86.4113.8172.317661.3000109.4I350 V354 F383 P429 L431 V461 L467 V468I350-L459 HydrophobicContact CG2-CB 4.25Å; I350-L459 HydrophobicContact CG2-CD2 3.97Å; V354-L459 HydrophobicContact CB-CD2 4.49Å; V354-L459 HydrophobicContact CG2-CD2 3.68Å; F383-L459 HydrophobicContact CD2-CD1 3.6Å; F383-L459 HydrophobicContact CE2-CD1 3.88Å; F383-L459 HydrophobicContact CE2-CD2 4.04Å; P429-L459 HydrophobicContact CB-CD1 4.17Å; L431-L459 HydrophobicContact CD2-CB 4.1Å; L431-L459 HydrophobicContact CD2-CD1 3.84Å; L431-L459 HydrophobicContact CD2-CG 4.48Å; L431-L459 HydrophobicContact CG-CD1 4.22Å; L459-V461 HydrophobicContact CG-CG1 4.32Å; L459-L467 HydrophobicContact CD2-CD2 4.3Å; L459-L467 PolarHBondContact O-N 3.47Å; L459-V468 HydrophobicContact CB-CB 3.84Å; L459-V468 HydrophobicContact CB-CG2 4.16Å; L459-V468 HydrophobicContact CD2-CG2 4.01Å; L459-V468 PolarHBondContact N-O 2.94Å
460L97.9Very high96.3Very high1 Ų126.8 Ų26.81%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-97.5134.4174.7-47.8-176.1000110.1E419 V423 P429 V430 L432 D458 G465 E466E419-L460 VanDerWaalsContact CD-CD2 3.43Å; E419-L460 HydrophobicContact CG-CD1 3.71Å; E419-L460 HydrophobicContact CG-CD2 3.64Å; E419-L460 HydrophobicContact CG-CG 4.27Å; V423-L460 HydrophobicContact CB-CB 4Å; V423-L460 HydrophobicContact CG1-CB 4.36Å; V423-L460 HydrophobicContact CG2-CB 3.9Å; P429-L460 WeakPolarHBondContact CA-O 3.32Å; V430-L460 HydrophobicContact CB-CB 4.37Å; V430-L460 PolarHBondContact N-O 3.03Å; V430-L460 PolarHBondContact O-N 3.4Å; L432-L460 HydrophobicContact CB-CD1 4.21Å; L432-L460 HydrophobicContact CB-CG 4.35Å; L432-L460 HydrophobicContact CD2-CD1 4Å; D458-L460 HydrophobicContact CB-CD2 4.4Å; L460-G465 WeakPolarHBondContact CA-O 3.47Å; L460-E466 HydrophobicContact CD2-CB 3.94Å
461V96.9Very high96.5Very high0 Ų025 Ų250%013%0.133CC..EExtended strand (participates in β ladder)trans-124.4144.3173.7-61.40000111.6P429 L459 V464 G465 L467 W521P429-V461 HydrophobicContact CB-CG1 4.35Å; L459-V461 HydrophobicContact CG-CG1 4.32Å; V461-V464 HydrophobicContact CG2-CB 4.15Å; V461-V464 PolarHBondContact O-N 3.31Å; V461-G465 PolarHBondContact N-O 3.24Å; V461-G465 PolarHBondContact O-N 3.07Å; V461-L467 HydrophobicContact CG1-CB 4.41Å; V461-L467 HydrophobicContact CG1-CD2 3.85Å; V461-L467 HydrophobicContact CG2-CB 4.15Å; V461-L467 HydrophobicContact CG2-CD2 4.18Å; V461-W521 HydrophobicContact CB-CD2 4.43Å; V461-W521 HydrophobicContact CB-CG 4.45Å; V461-W521 HydrophobicContact CG1-CZ2 4.38Å; V461-W521 HydrophobicContact CG2-CB 4.27Å; V461-W521 HydrophobicContact CG2-CD2 4.03Å; V461-W521 HydrophobicContact CG2-CG 3.71Å
462P94.3Very high96.8Very high37 Ų3717.5 Ų17.524%0.2410%0.098CC..THydrogen-bonded Turntrans-54.7142.3175-25.634000112.6V423 D424 V464V423-P462 HydrophobicContact CG2-CG 4.17Å; D424-P462 WeakPolarHBondContact OD1-CA 3.42Å; P462-V464 VanDerWaalsContact C-N 3.29Å; P462-V464 PolarHBondContact O-N 2.72Å
463G90.5Very high96.9Very high37 Ų3710.3 Ų10.338%0.3817%0.071SC..THydrogen-bonded Turntrans87.9-40.6-179.500000113.8R420 D424R420-G463 VanDerWaalsContact CZ-O 3.29Å; R420-G463 PolarHBondContact NE-O 2.8Å; R420-G463 PolarHBondContact NH2-O 2.84Å; D424-G463 PolarHBondContact OD1-N 3.21Å
464V92.2Very high96.9Very high17 Ų1710.1 Ų10.110%0.1037%0.07CC..THydrogen-bonded Turntrans-106.6-37.3-173.1174.40000113.5R420 V461 P462 R517 T520 W521R420-V464 WeakPolarHBondContact CD-O 3.41Å; V461-V464 HydrophobicContact CG2-CB 4.15Å; V461-V464 PolarHBondContact O-N 3.31Å; P462-V464 VanDerWaalsContact C-N 3.29Å; P462-V464 PolarHBondContact O-N 2.72Å; V464-R517 HydrophobicContact CG1-CB 4.35Å; V464-T520 HydrophobicContact CG2-CG2 4.3Å; V464-W521 HydrophobicContact CB-CB 4.28Å; V464-W521 HydrophobicContact CG2-CB 3.62Å
465G94.5Very high96.8Very high0 Ų012.3 Ų12.30%08%0.081CC..EExtended strand (participates in β ladder)trans90.6-138.4-168.500000111.1E419 L460 V461 L467E419-G465 WeakPolarHBondContact OE1-CA 3.5Å; L460-G465 WeakPolarHBondContact CA-O 3.47Å; V461-G465 PolarHBondContact N-O 3.24Å; V461-G465 PolarHBondContact O-N 3.07Å; G465-L467 PolarHBondContact O-N 3.01Å
466E96.6Very high96.5Very high45 Ų4513.4 Ų13.421%0.219%0.087CC..EExtended strand (participates in β ladder)trans-58.7118.1179.7-174.4-145.6166.200113.4R326 E419 D458 L460 R517R326-E466 IonicContact NH1-OE2 2.92Å; E419-E466 WeakPolarHBondContact OE1-CB 3.37Å; E419-E466 PolarHBondContact OE1-N 3.37Å; D458-E466 HydrophobicContact CB-CG 4.37Å; L460-E466 HydrophobicContact CD2-CB 3.94Å; E466-R517 WeakPolarHBondContact O-CD 3.35Å; E466-R517 PolarHBondContact O-NH1 3.43Å; E466-R517 VanDerWaalsContact O-NH1 3.15Å; E466-R517 IonicContact OE2-NH1 2.91Å; E466-R517 PolarHBondContact OE2-NH1 2.89Å
467L96.5Very high96.3Very high3 Ų316.1 Ų16.12%0.01610%0.101CC..EExtended strand (participates in β ladder)trans-106.5-38.9179.2179.959.8000112.9L459 V461 G465 R517 F518 W521L459-L467 HydrophobicContact CD2-CD2 4.3Å; L459-L467 PolarHBondContact O-N 3.47Å; V461-L467 HydrophobicContact CG1-CB 4.41Å; V461-L467 HydrophobicContact CG1-CD2 3.85Å; V461-L467 HydrophobicContact CG2-CB 4.15Å; V461-L467 HydrophobicContact CG2-CD2 4.18Å; G465-L467 PolarHBondContact O-N 3.01Å; L467-R517 HydrophobicContact CD1-CB 4.28Å; L467-F518 HydrophobicContact CD1-CB 3.71Å; L467-F518 HydrophobicContact CD1-CD2 4.22Å; L467-F518 HydrophobicContact CD1-CG 4.46Å; L467-F518 HydrophobicContact CD2-CD2 4.08Å; L467-W521 HydrophobicContact CD2-CE3 3.96Å; L467-W521 HydrophobicContact CD2-CZ3 4.21Å
468V98.2Very high96.1Very high1 Ų121 Ų211%0.00613%0.127CC..EExtended strand (participates in β ladder)trans-132.7134.7-179-173.90000108.4I350 D458 L459 Y511 G512 L513I350-V468 HydrophobicContact CD1-CG1 4.2Å; I350-V468 HydrophobicContact CG1-CG1 4.33Å; I350-V468 HydrophobicContact CG2-CB 4.4Å; I350-V468 HydrophobicContact CG2-CG1 4.28Å; I350-V468 HydrophobicContact CG2-CG2 4.4Å; D458-V468 CarbonylContact C-O 3.48Å; D458-V468 VanDerWaalsContact CA-O 3.3Å; D458-V468 WeakPolarHBondContact CA-O 3.43Å; L459-V468 HydrophobicContact CB-CB 3.84Å; L459-V468 HydrophobicContact CB-CG2 4.16Å; L459-V468 HydrophobicContact CD2-CG2 4.01Å; L459-V468 PolarHBondContact N-O 2.94Å; V468-Y511 HydrophobicContact CG1-CD2 4.13Å; V468-Y511 HydrophobicContact CG1-CG 4.13Å; V468-G512 WeakPolarHBondContact CA-O 3.24Å; V468-L513 HydrophobicContact CG2-CB 3.99Å; V468-L513 HydrophobicContact CG2-CD1 3.69Å; V468-L513 HydrophobicContact CG2-CG 3.95Å
469G97.8Very high95.8Very high20 Ų2023.7 Ų23.721%0.20614%0.142CC..EExtended strand (participates in β ladder)trans-118.1137.8167.200000109.5Y511 G512G469-Y511 CarbonylContact O-C 3.52Å; G469-Y511 WeakPolarHBondContact O-CA 3.4Å; G469-G512 PolarHBondContact N-O 2.63Å; G469-G512 PolarHBondContact O-N 3.5Å
470G98.3Very high95.6Very high4 Ų423.7 Ų23.74%0.04114%0.142CC..EExtended strand (participates in β ladder)trans-159.2167.4-176.500000113.6S456 V457 G510S456-G470 WeakPolarHBondContact CA-O 3.39Å; V457-G470 PolarHBondContact N-O 2.93Å; V457-G470 PolarHBondContact O-N 2.92Å; G470-G510 WeakPolarHBondContact CA-O 3.39Å
471S98.7Very high95.4Very high0 Ų026.7 Ų26.70%016%0.158CC..EExtended strand (participates in β ladder)trans-159.7162.2174.181.10000111.9L346 M444 D455 R473 G509 G510L346-S471 VanDerWaalsContact CD2-C 3.45Å; M444-S471 WeakPolarHBondContact CG-OG 3.17Å; D455-S471 CarbonylContact O-C 3.55Å; D455-S471 VanDerWaalsContact O-CA 3.29Å; D455-S471 WeakPolarHBondContact O-CA 3.24Å; D455-S471 WeakPolarHBondContact O-CB 3.19Å; S471-R473 VanDerWaalsContact O-CZ 3.28Å; S471-R473 PolarHBondContact O-NE 2.95Å; S471-R473 PolarHBondContact O-NH1 3.21Å; S471-R473 PolarHBondContact OG-NH1 3.4Å; S471-G509 VanDerWaalsContact O-CA 3.29Å; S471-G509 WeakPolarHBondContact O-CA 3.41Å; S471-G510 PolarHBondContact N-O 3.09Å; S471-G510 PolarHBondContact O-N 3.19Å; S471-G510 VanDerWaalsContact O-N 3.08Å
472M98.7Very high95.2Very high3 Ų332.4 Ų32.42%0.01518%0.182CC..EExtended strand (participates in β ladder)trans-68.6149.2152.7-61.3-52.5-62.400109.6I341 L343 L346 L445 D455 H508I341-M472 HydrophobicContact CD1-SD 4.37Å; I341-M472 HydrophobicContact CG1-CE 4.07Å; I341-M472 HydrophobicContact CG1-SD 4.25Å; I341-M472 WeakPolarHBondContact O-CE 3.5Å; L343-M472 HydrophobicContact CB-CG 4.09Å; L343-M472 HydrophobicContact CD1-CG 4.46Å; L346-M472 HydrophobicContact CB-SD 4.21Å; L346-M472 HydrophobicContact CD2-SD 4.24Å; L445-M472 HydrophobicContact CB-CB 3.77Å; L445-M472 HydrophobicContact CD2-CB 3.87Å; L445-M472 HydrophobicContact CG-CB 4.48Å; L445-M472 PolarHBondContact N-O 3.28Å; D455-M472 HydrophobicContact CB-CB 3.81Å; D455-M472 HydrophobicContact CB-CG 3.84Å; D455-M472 PolarHBondContact O-N 2.92Å; M472-H508 VanDerWaalsContact CE-C 3.4Å; M472-H508 WeakPolarHBondContact CE-O 3.29Å
473R98.1Very high95Very high2 Ų231 Ų311%0.00817%0.174CC..BIsolated β-bridgetrans-103.6148.2-176.2-41.8-50.8176.7175.117.2110.6Q297 E301 E337 Y443 S471 D475 H508 G510Q297-R473 VanDerWaalsContact OE1-NH2 3.07Å; E301-R473 HydrophobicContact CG-CG 4.42Å; E337-R473 VanDerWaalsContact OE1-CG 3.27Å; E337-R473 WeakPolarHBondContact OE1-CG 3.29Å; E337-R473 IonicContact OE1-CZ 3.98Å; E337-R473 IonicContact OE1-NE 3.6Å; E337-R473 PolarHBondContact OE1-NE 3.44Å; E337-R473 IonicContact OE1-NH2 3.16Å; E337-R473 IonicContact OE2-CZ 3.13Å; E337-R473 IonicContact OE2-NE 3.36Å; E337-R473 IonicContact OE2-NH2 2.71Å; E337-R473 PolarHBondContact OE2-NH2 3Å; Y443-R473 WeakPolarHBondContact O-CA 3.5Å; S471-R473 VanDerWaalsContact O-CZ 3.28Å; S471-R473 PolarHBondContact O-NE 2.95Å; S471-R473 PolarHBondContact O-NH1 3.21Å; S471-R473 PolarHBondContact OG-NH1 3.4Å; R473-D475 PolarHBondContact O-N 2.64Å; R473-H508 WeakPolarHBondContact CB-NE2 3.37Å; R473-H508 WeakPolarHBondContact CG-CD2 3.4Å; R473-H508 PolarHBondContact N-O 3.12Å; R473-G510 VanDerWaalsContact NH2-CA 3.25Å; R473-G510 PolarHBondContact NH2-O 3.29Å
474V96.7Very high95.1Very high7 Ų729.3 Ų29.34%0.04216%0.157CC..PPolyproline II helixtrans-55.7122.9173174.50000109.1Y443 D476 N479 L480 R501Y443-V474 PolarHBondContact O-N 2.88Å; V474-D476 WeakPolarHBondContact CG1-O 3.27Å; V474-N479 HydrophobicContact CG1-CB 3.85Å; V474-L480 HydrophobicContact CG1-CB 4.03Å; V474-R501 PolarHBondContact O-NE 3.3Å; V474-R501 PolarHBondContact O-NH2 2.74Å
475D93.8Very high95.1Very high45 Ų4535.6 Ų35.624%0.24119%0.185CC..  trans-110.98.3-173.161.1-6.2000113R473 T505R473-D475 PolarHBondContact O-N 2.64Å; D475-T505 VanDerWaalsContact O-CG2 3.29Å; D475-T505 WeakPolarHBondContact O-CG2 3.16Å; D475-T505 PolarHBondContact O-OG1 3.45Å
476D93.3Very high94.7Very high47 Ų4739.5 Ų39.525%0.25121%0.212SC..SBendtrans-124.1147.9174.277.393.5000112.7V474 D478 N479 L480V474-D476 WeakPolarHBondContact CG1-O 3.27Å; D476-D478 PolarHBondContact OD1-N 3.29Å; D476-N479 VanDerWaalsContact CG-ND2 3.3Å; D476-N479 VanDerWaalsContact OD1-CB 3.3Å; D476-N479 WeakPolarHBondContact OD1-CB 3.06Å; D476-N479 VanDerWaalsContact OD1-CG 3.29Å; D476-N479 PolarHBondContact OD1-N 3.09Å; D476-N479 PolarHBondContact OD1-ND2 3.06Å; D476-N479 VanDerWaalsContact OD2-CB 3.31Å; D476-N479 WeakPolarHBondContact OD2-CB 3.43Å; D476-N479 PolarHBondContact OD2-ND2 3.04Å; D476-L480 WeakPolarHBondContact O-CB 3.41Å; D476-L480 PolarHBondContact O-N 2.91Å
477I94.4Very high94.1Very high56 Ų5641.8 Ų41.829%0.28722%0.223SC..Hα-helixtrans-68.6-36.1-174.8-168.3168.4000112.8L480 L481 R501 K502I477-L480 PolarHBondContact O-N 2.8Å; I477-L481 HydrophobicContact CG1-CD1 4.08Å; I477-L481 HydrophobicContact CG1-CG 4.32Å; I477-L481 WeakPolarHBondContact O-CB 3.31Å; I477-L481 VanDerWaalsContact O-CG 3.27Å; I477-L481 WeakPolarHBondContact O-CG 3.08Å; I477-L481 PolarHBondContact O-N 2.83Å; I477-R501 HydrophobicContact CB-CB 4.37Å; I477-K502 HydrophobicContact CD1-CD 4.27Å; I477-K502 HydrophobicContact CD1-CG 3.72Å
478D93.5Very high93.7Very high103 Ų10350.6 Ų50.655%0.55126%0.264SS*.Hα-helixtrans-71.1-44.2-172.8-70.9-26.1000110.9D476 L481 K482D476-D478 PolarHBondContact OD1-N 3.29Å; D478-L481 PolarHBondContact O-N 3.21Å; D478-K482 VanDerWaalsContact O-CG 3.28Å; D478-K482 WeakPolarHBondContact O-CG 3.35Å; D478-K482 PolarHBondContact O-N 3.08Å
479N92.5Very high93.1Very high70 Ų7051.2 Ų51.237%0.37427%0.268SS..Hα-helixtrans-70.8-33.1176.3-67.1-33.6000112V474 D476 K482 G483V474-N479 HydrophobicContact CG1-CB 3.85Å; D476-N479 VanDerWaalsContact CG-ND2 3.3Å; D476-N479 VanDerWaalsContact OD1-CB 3.3Å; D476-N479 WeakPolarHBondContact OD1-CB 3.06Å; D476-N479 VanDerWaalsContact OD1-CG 3.29Å; D476-N479 PolarHBondContact OD1-N 3.09Å; D476-N479 PolarHBondContact OD1-ND2 3.06Å; D476-N479 VanDerWaalsContact OD2-CB 3.31Å; D476-N479 WeakPolarHBondContact OD2-CB 3.43Å; D476-N479 PolarHBondContact OD2-ND2 3.04Å; N479-K482 PolarHBondContact O-N 2.72Å; N479-K482 PolarHBondContact OD1-NZ 3.26Å; N479-G483 PolarHBondContact O-N 3.48Å
480L94.6Very high92.7Very high0 Ų055 Ų550%028%0.283CS..Hα-helixtrans-63-45.4173.217959.6000111.1F442 V474 D476 I477 G483 Y484 Y497 T498 R501F442-L480 HydrophobicContact CD2-CD1 4.41Å; F442-L480 HydrophobicContact CE2-CD1 3.95Å; V474-L480 HydrophobicContact CG1-CB 4.03Å; D476-L480 WeakPolarHBondContact O-CB 3.41Å; D476-L480 PolarHBondContact O-N 2.91Å; I477-L480 PolarHBondContact O-N 2.8Å; L480-G483 PolarHBondContact O-N 3.09Å; L480-G483 VanDerWaalsContact O-N 3.16Å; L480-Y484 HydrophobicContact CD1-CE2 4Å; L480-Y484 HydrophobicContact CD2-CE2 4.35Å; L480-Y484 HydrophobicContact CG-CD2 4.4Å; L480-Y484 HydrophobicContact CG-CE2 3.8Å; L480-Y484 WeakPolarHBondContact O-CD2 3.44Å; L480-Y484 PolarHBondContact O-N 3.41Å; L480-Y484 VanDerWaalsContact O-N 3.09Å; L480-Y497 HydrophobicContact CD1-CD1 4.26Å; L480-Y497 HydrophobicContact CD1-CE1 3.74Å; L480-Y497 HydrophobicContact CD2-CD1 4.19Å; L480-Y497 HydrophobicContact CD2-CE1 4.2Å; L480-T498 HydrophobicContact CD2-CG2 4.38Å; L480-R501 HydrophobicContact CD2-CG 4.09Å
481L93.8Very high92.3Very high64 Ų6457.2 Ų57.234%0.33530%0.297SS..Hα-helixtrans-64.3-38.9176.3-70.2176.3000112.6I477 D478 G483 Y484 Q485I477-L481 HydrophobicContact CG1-CD1 4.08Å; I477-L481 HydrophobicContact CG1-CG 4.32Å; I477-L481 WeakPolarHBondContact O-CB 3.31Å; I477-L481 VanDerWaalsContact O-CG 3.27Å; I477-L481 WeakPolarHBondContact O-CG 3.08Å; I477-L481 PolarHBondContact O-N 2.83Å; D478-L481 PolarHBondContact O-N 3.21Å; L481-G483 VanDerWaalsContact C-N 3.3Å; L481-G483 PolarHBondContact O-N 3.03Å; L481-Y484 HydrophobicContact CD2-CD2 4.3Å; L481-Y484 PolarHBondContact O-N 2.8Å; L481-Q485 WeakPolarHBondContact O-CG 3.29Å; L481-Q485 PolarHBondContact O-N 3.42Å; L481-Q485 VanDerWaalsContact O-N 3.15Å
482K91.8Very high92.1Very high120 Ų12062 Ų6252%0.52233%0.326SS..Hα-helixtrans-62.2-38.3171.8-72.2170.4-167.6163.80111.9D478 N479 Q485 S486D478-K482 VanDerWaalsContact O-CG 3.28Å; D478-K482 WeakPolarHBondContact O-CG 3.35Å; D478-K482 PolarHBondContact O-N 3.08Å; N479-K482 PolarHBondContact O-N 2.72Å; N479-K482 PolarHBondContact OD1-NZ 3.26Å; K482-Q485 WeakPolarHBondContact O-CB 3.45Å; K482-Q485 PolarHBondContact O-N 2.96Å; K482-S486 PolarHBondContact O-N 2.94Å; K482-S486 PolarHBondContact O-OG 3.22Å
483G91.2Very high91.8Very high7 Ų764 Ų647%0.07234%0.343CS..Hα-helixtrans-62-43.9176.400000112.7N479 L480 L481 Q485 S486 E487N479-G483 PolarHBondContact O-N 3.48Å; L480-G483 PolarHBondContact O-N 3.09Å; L480-G483 VanDerWaalsContact O-N 3.16Å; L481-G483 VanDerWaalsContact C-N 3.3Å; L481-G483 PolarHBondContact O-N 3.03Å; G483-Q485 VanDerWaalsContact C-N 3.3Å; G483-Q485 PolarHBondContact O-N 3.45Å; G483-S486 PolarHBondContact O-N 2.78Å; G483-S486 PolarHBondContact O-OG 2.77Å; G483-E487 WeakPolarHBondContact O-CG 3.47Å; G483-E487 PolarHBondContact O-N 2.92Å
484Y91.7Very high91.6Very high2 Ų264.2 Ų64.21%0.00834%0.344CS..Hα-helixtrans-60.1-41.3172.4-69.5-53.4000112.5F442 L480 L481 E487 E488 T489 P491 Y494 Y497 T498F442-Y484 AromaticContact CE2-CD1 3.81Å; F442-Y484 HydrophobicContact CE2-CD1 3.81Å; F442-Y484 AromaticContact CE2-CE1 3.61Å; F442-Y484 HydrophobicContact CE2-CE1 3.61Å; F442-Y484 HydrophobicContact CZ-CD1 4.08Å; F442-Y484 AromaticContact CZ-CE1 3.74Å; F442-Y484 HydrophobicContact CZ-CE1 3.74Å; L480-Y484 HydrophobicContact CD1-CE2 4Å; L480-Y484 HydrophobicContact CD2-CE2 4.35Å; L480-Y484 HydrophobicContact CG-CD2 4.4Å; L480-Y484 HydrophobicContact CG-CE2 3.8Å; L480-Y484 WeakPolarHBondContact O-CD2 3.44Å; L480-Y484 PolarHBondContact O-N 3.41Å; L480-Y484 VanDerWaalsContact O-N 3.09Å; L481-Y484 HydrophobicContact CD2-CD2 4.3Å; L481-Y484 PolarHBondContact O-N 2.8Å; Y484-E487 PolarHBondContact O-N 3.08Å; Y484-E488 PolarHBondContact O-N 2.99Å; Y484-T489 HydrophobicContact CD1-CG2 3.97Å; Y484-T489 HydrophobicContact CE1-CG2 4.49Å; Y484-T489 PolarHBondContact O-N 3.47Å; Y484-P491 HydrophobicContact CD2-CB 3.67Å; Y484-P491 HydrophobicContact CE2-CB 4.01Å; Y484-P491 HydrophobicContact CG-CB 4.07Å; Y484-Y494 HydrophobicContact CE1-CD1 4.18Å; Y484-Y494 AromaticContact CE1-CD2 3.91Å; Y484-Y494 HydrophobicContact CE1-CD2 3.91Å; Y484-Y494 HydrophobicContact CE1-CE2 4.44Å; Y484-Y494 AromaticContact CE1-CG 3.78Å; Y484-Y494 HydrophobicContact CE1-CG 3.78Å; Y484-Y494 AromaticContact CZ-CG 3.99Å; Y484-Y494 WeakPolarHBondContact OH-CB 3.49Å; Y484-Y497 VanDerWaalsContact OH-CD1 3.26Å; Y484-Y497 WeakPolarHBondContact OH-CD1 3.35Å; Y484-T498 PolarHBondContact OH-OG1 3Å
485Q91.3Very high91.6Very high148 Ų14871.1 Ų71.169%0.69237%0.37SS*.Hα-helixtrans-64.8-40.7178.4-70.9172.71.900112.1L481 K482 G483 E487 E488L481-Q485 WeakPolarHBondContact O-CG 3.29Å; L481-Q485 PolarHBondContact O-N 3.42Å; L481-Q485 VanDerWaalsContact O-N 3.15Å; K482-Q485 WeakPolarHBondContact O-CB 3.45Å; K482-Q485 PolarHBondContact O-N 2.96Å; G483-Q485 VanDerWaalsContact C-N 3.3Å; G483-Q485 PolarHBondContact O-N 3.45Å; Q485-E487 VanDerWaalsContact C-N 3.29Å; Q485-E487 PolarHBondContact O-N 3.29Å; Q485-E488 PolarHBondContact O-N 2.77Å
486S86.2Confident91.8Very high82 Ų8271.2 Ų71.257%0.57337%0.367SS*.Hα-helixtrans-67.9-29.9179.460.30000113.2K482 G483 E488K482-S486 PolarHBondContact O-N 2.94Å; K482-S486 PolarHBondContact O-OG 3.22Å; G483-S486 PolarHBondContact O-N 2.78Å; G483-S486 PolarHBondContact O-OG 2.77Å; S486-E488 VanDerWaalsContact C-N 3.35Å
487E85.1Confident92Very high93 Ų9369 Ų6944%0.43536%0.355SS..THydrogen-bonded Turntrans-94.211.7177.9-62.1-61.1146.800113.2F442 G483 Y484 Q485 T489F442-E487 HydrophobicContact CB-CG 3.7Å; F442-E487 HydrophobicContact CD1-CG 3.87Å; F442-E487 HydrophobicContact CG-CG 4.02Å; G483-E487 WeakPolarHBondContact O-CG 3.47Å; G483-E487 PolarHBondContact O-N 2.92Å; Y484-E487 PolarHBondContact O-N 3.08Å; Q485-E487 VanDerWaalsContact C-N 3.29Å; Q485-E487 PolarHBondContact O-N 3.29Å; E487-T489 PolarHBondContact O-N 2.9Å; E487-T489 PolarHBondContact O-OG1 2.95Å
488E87.2Confident92.1Very high188 Ų18866.8 Ų66.888%0.87935%0.345SS*.THydrogen-bonded Turntrans47.734.2-177.2-59.3-176.1176.700113.1Y484 Q485 S486Y484-E488 PolarHBondContact O-N 2.99Å; Q485-E488 PolarHBondContact O-N 2.77Å; S486-E488 VanDerWaalsContact C-N 3.35Å
489T86Confident92.3Very high15 Ų1564 Ų649%0.09233%0.33CS..  trans-100129.7-173.3-68.20000110Q273 Y484 E487 P491 Y494Q273-T489 PolarHBondContact NE2-OG1 2.67Å; Y484-T489 HydrophobicContact CD1-CG2 3.97Å; Y484-T489 HydrophobicContact CE1-CG2 4.49Å; Y484-T489 PolarHBondContact O-N 3.47Å; E487-T489 PolarHBondContact O-N 2.9Å; E487-T489 PolarHBondContact O-OG1 2.95Å; T489-P491 VanDerWaalsContact O-CD 3.24Å; T489-P491 WeakPolarHBondContact O-CD 3.36Å; T489-Y494 HydrophobicContact CG2-CD2 4.07Å; T489-Y494 HydrophobicContact CG2-CE2 3.3Å
490D89.3Confident92.6Very high99 Ų9962.7 Ų62.753%0.52932%0.321SS..  trans-69.1113.7175.8178.87.2000110.7T492 Y494D490-T492 PolarHBondContact O-N 2.88Å; D490-T492 WeakPolarHBondContact OD1-CB 3.38Å; D490-T492 PolarHBondContact OD1-N 3.02Å; D490-T492 PolarHBondContact OD1-OG1 2.99Å; D490-Y494 WeakPolarHBondContact O-CD2 3.26Å
491P91.3Very high92.7Very high51 Ų5163.3 Ų63.333%0.33132%0.324SS..G310 helixtrans-66.9-15.7-179.529.2-36.6000113.1Y484 T489 A493 Y494 Y495Y484-P491 HydrophobicContact CD2-CB 3.67Å; Y484-P491 HydrophobicContact CE2-CB 4.01Å; Y484-P491 HydrophobicContact CG-CB 4.07Å; T489-P491 VanDerWaalsContact O-CD 3.24Å; T489-P491 WeakPolarHBondContact O-CD 3.36Å; P491-A493 VanDerWaalsContact C-N 3.29Å; P491-A493 PolarHBondContact O-N 2.8Å; P491-Y494 CarbonylContact O-C 3.58Å; P491-Y494 WeakPolarHBondContact O-CA 3.04Å; P491-Y494 PolarHBondContact O-N 2.96Å; P491-Y495 PolarHBondContact O-N 2.95Å
492T93.7Very high92.8Very high99 Ų9965.7 Ų65.761%0.60733%0.331SS*.G310 helixtrans-59.2-39.6-177-50.70000111.9D490 Y494 Y495D490-T492 PolarHBondContact O-N 2.88Å; D490-T492 WeakPolarHBondContact OD1-CB 3.38Å; D490-T492 PolarHBondContact OD1-N 3.02Å; D490-T492 PolarHBondContact OD1-OG1 2.99Å; T492-Y494 PolarHBondContact O-N 3.38Å; T492-Y495 PolarHBondContact O-N 3.15Å
493A92.2Very high93.1Very high45 Ų4567.5 Ų67.537%0.37234%0.34SS..G310 helixtrans-69.6-17.5177.300000113.4T272 P491 W496T272-A493 HydrophobicContact CG2-CB 4.16Å; P491-A493 VanDerWaalsContact C-N 3.29Å; P491-A493 PolarHBondContact O-N 2.8Å; A493-W496 PolarHBondContact O-NE1 3.47Å
494Y95.1Very high93.3Very high8 Ų870.4 Ų70.43%0.03137%0.369CS..G310 helixtrans-108.424.4-177.3-58-98.2000112.3T272 Q273 L298 Y484 T489 D490 P491 T492 W496 Y497 T498T272-Y494 HydrophobicContact CG2-CD1 3.93Å; T272-Y494 HydrophobicContact CG2-CD2 4.38Å; T272-Y494 HydrophobicContact CG2-CE1 3.61Å; T272-Y494 HydrophobicContact CG2-CE2 4.08Å; T272-Y494 HydrophobicContact CG2-CG 4.29Å; Q273-Y494 WeakPolarHBondContact CG-OH 3.48Å; Q273-Y494 PolarHBondContact N-OH 3.24Å; Q273-Y494 PolarHBondContact O-OH 3.31Å; Q273-Y494 VanDerWaalsContact O-OH 3.07Å; L298-Y494 HydrophobicContact CD1-CD1 4.07Å; L298-Y494 HydrophobicContact CD1-CE1 3.84Å; Y484-Y494 HydrophobicContact CE1-CD1 4.18Å; Y484-Y494 AromaticContact CE1-CD2 3.91Å; Y484-Y494 HydrophobicContact CE1-CD2 3.91Å; Y484-Y494 HydrophobicContact CE1-CE2 4.44Å; Y484-Y494 AromaticContact CE1-CG 3.78Å; Y484-Y494 HydrophobicContact CE1-CG 3.78Å; Y484-Y494 AromaticContact CZ-CG 3.99Å; Y484-Y494 WeakPolarHBondContact OH-CB 3.49Å; T489-Y494 HydrophobicContact CG2-CD2 4.07Å; T489-Y494 HydrophobicContact CG2-CE2 3.3Å; D490-Y494 WeakPolarHBondContact O-CD2 3.26Å; P491-Y494 CarbonylContact O-C 3.58Å; P491-Y494 WeakPolarHBondContact O-CA 3.04Å; P491-Y494 PolarHBondContact O-N 2.96Å; T492-Y494 PolarHBondContact O-N 3.38Å; Y494-W496 PolarHBondContact O-N 2.97Å; Y494-Y497 PolarHBondContact O-N 3.08Å; Y494-T498 WeakPolarHBondContact O-CB 3.47Å; Y494-T498 PolarHBondContact O-N 3.09Å; Y494-T498 PolarHBondContact O-OG1 3.01Å
495Y96.6Very high93.6Very high151 Ų15173.2 Ų73.259%0.59239%0.386SS*.Hα-helixtrans-53.3-43.3-179.172.1-90.6000111.7P491 T492 Y497 T498 D499P491-Y495 PolarHBondContact O-N 2.95Å; T492-Y495 PolarHBondContact O-N 3.15Å; Y495-Y497 VanDerWaalsContact C-N 3.32Å; Y495-Y497 PolarHBondContact O-N 3.22Å; Y495-T498 PolarHBondContact O-N 3.16Å; Y495-D499 WeakPolarHBondContact O-CB 3.47Å; Y495-D499 PolarHBondContact O-N 2.86Å
496W97.4Very high94Very high47 Ų4766.8 Ų66.818%0.17836%0.358CS..Hα-helixtrans-65.5-31.8179.747.6-91.8000113T272 L298 Y299 T302 A493 Y494 Q500T272-W496 HydrophobicContact CG2-CZ2 4.04Å; L298-W496 HydrophobicContact CB-CH2 3.81Å; L298-W496 HydrophobicContact CB-CZ3 3.85Å; L298-W496 HydrophobicContact CD1-CH2 4.32Å; Y299-W496 HydrophobicContact CD1-CH2 4.13Å; Y299-W496 HydrophobicContact CD1-CZ3 4.05Å; Y299-W496 AromaticContact CE1-CH2 3.78Å; Y299-W496 HydrophobicContact CE1-CH2 3.78Å; Y299-W496 HydrophobicContact CE1-CZ2 4.08Å; Y299-W496 HydrophobicContact CE1-CZ3 4.11Å; T302-W496 HydrophobicContact CG2-CE3 3.69Å; T302-W496 HydrophobicContact CG2-CZ3 4.11Å; A493-W496 PolarHBondContact O-NE1 3.47Å; Y494-W496 PolarHBondContact O-N 2.97Å; W496-Q500 PolarHBondContact O-NE2 3.41Å
497Y97Very high94.5Very high0 Ų065.9 Ų65.90%035%0.35CS..Hα-helixtrans-78.4-41175.5-175.5-104.3000111.6L298 E301 L480 Y484 Y494 Y495 D499 Q500L298-Y497 HydrophobicContact CB-CD2 3.92Å; L298-Y497 HydrophobicContact CB-CE2 4.08Å; L298-Y497 HydrophobicContact CD2-CD2 4.01Å; L298-Y497 HydrophobicContact CD2-CE1 4.28Å; L298-Y497 HydrophobicContact CD2-CE2 3.47Å; L298-Y497 VanDerWaalsContact CD2-CE2 3.47Å; L298-Y497 HydrophobicContact CG-CD2 4.45Å; L298-Y497 HydrophobicContact CG-CE2 4.32Å; E301-Y497 HydrophobicContact CB-CD2 4.5Å; E301-Y497 HydrophobicContact CB-CE2 3.95Å; E301-Y497 HydrophobicContact CG-CE2 4.21Å; E301-Y497 WeakPolarHBondContact OE1-CE2 3.2Å; E301-Y497 PolarHBondContact OE1-OH 3.41Å; E301-Y497 WeakPolarHBondContact OE2-CE2 3.29Å; E301-Y497 PolarHBondContact OE2-OH 3.49Å; L480-Y497 HydrophobicContact CD1-CD1 4.26Å; L480-Y497 HydrophobicContact CD1-CE1 3.74Å; L480-Y497 HydrophobicContact CD2-CD1 4.19Å; L480-Y497 HydrophobicContact CD2-CE1 4.2Å; Y484-Y497 VanDerWaalsContact OH-CD1 3.26Å; Y484-Y497 WeakPolarHBondContact OH-CD1 3.35Å; Y494-Y497 PolarHBondContact O-N 3.08Å; Y495-Y497 VanDerWaalsContact C-N 3.32Å; Y495-Y497 PolarHBondContact O-N 3.22Å; Y497-D499 VanDerWaalsContact C-N 3.31Å; Y497-D499 PolarHBondContact O-N 3.15Å; Y497-Q500 VanDerWaalsContact O-CB 3.31Å; Y497-Q500 WeakPolarHBondContact O-CB 3.36Å; Y497-Q500 WeakPolarHBondContact O-CG 3.47Å; Y497-Q500 PolarHBondContact O-N 3.41Å
498T96.7Very high95.2Very high10 Ų1061.7 Ų61.76%0.06133%0.331CS..Hα-helixtrans-65.9-35.8177.8-52.50000111.3L480 Y484 Y494 Y495 Q500 R501L480-T498 HydrophobicContact CD2-CG2 4.38Å; Y484-T498 PolarHBondContact OH-OG1 3Å; Y494-T498 WeakPolarHBondContact O-CB 3.47Å; Y494-T498 PolarHBondContact O-N 3.09Å; Y494-T498 PolarHBondContact O-OG1 3.01Å; Y495-T498 PolarHBondContact O-N 3.16Å; T498-Q500 PolarHBondContact O-N 3.39Å; T498-R501 PolarHBondContact O-N 2.64Å
499D97.7Very high95.8Very high45 Ų4552.8 Ų52.824%0.24129%0.289CS..Hα-helixtrans-64.1-23.8178-77.8-7.9000112.8Y495 Y497 R501 K502 F503Y495-D499 WeakPolarHBondContact O-CB 3.47Å; Y495-D499 PolarHBondContact O-N 2.86Å; Y497-D499 VanDerWaalsContact C-N 3.31Å; Y497-D499 PolarHBondContact O-N 3.15Å; D499-R501 PolarHBondContact O-N 2.96Å; D499-R501 VanDerWaalsContact O-N 3.15Å; D499-K502 PolarHBondContact O-N 3.32Å; D499-K502 WeakPolarHBondContact OD1-CD 3.17Å; D499-K502 IonicContact OD1-NZ 2.69Å; D499-K502 PolarHBondContact OD1-NZ 3.43Å; D499-F503 HydrophobicContact CB-CD2 3.99Å; D499-F503 HydrophobicContact CB-CE2 4.22Å; D499-F503 WeakPolarHBondContact O-CD2 3.24Å; D499-F503 PolarHBondContact O-N 3.46Å
500Q98.1Very high96.4Very high42 Ų4252 Ų5220%0.19628%0.284CS..THydrogen-bonded Turntrans-60.5-24.7171.7-50.8-50.7-50.500112.4T302 W496 Y497 T498 T505T302-Q500 HydrophobicContact CG2-CG 4.25Å; W496-Q500 PolarHBondContact O-NE2 3.41Å; Y497-Q500 VanDerWaalsContact O-CB 3.31Å; Y497-Q500 WeakPolarHBondContact O-CB 3.36Å; Y497-Q500 WeakPolarHBondContact O-CG 3.47Å; Y497-Q500 PolarHBondContact O-N 3.41Å; T498-Q500 PolarHBondContact O-N 3.39Å; Q500-T505 WeakPolarHBondContact O-CA 3.48Å; Q500-T505 WeakPolarHBondContact O-CB 3.03Å; Q500-T505 PolarHBondContact O-OG1 2.95Å
501R97.8Very high96.8Very high14 Ų1447.5 Ų47.55%0.05326%0.26CS..THydrogen-bonded Turntrans-89.2-12.9177.5-79.859.9-178.4179.73.8112.5E301 V474 I477 L480 T498 D499 H508E301-R501 IonicContact OE2-CZ 3.65Å; E301-R501 IonicContact OE2-NH1 2.8Å; E301-R501 PolarHBondContact OE2-NH1 2.9Å; E301-R501 IonicContact OE2-NH2 3.93Å; E301-R501 PolarHBondContact OE2-NH2 3.01Å; V474-R501 PolarHBondContact O-NE 3.3Å; V474-R501 PolarHBondContact O-NH2 2.74Å; I477-R501 HydrophobicContact CB-CB 4.37Å; L480-R501 HydrophobicContact CD2-CG 4.09Å; T498-R501 PolarHBondContact O-N 2.64Å; D499-R501 PolarHBondContact O-N 2.96Å; D499-R501 VanDerWaalsContact O-N 3.15Å; R501-H508 VanDerWaalsContact CZ-CE1 3.47Å; R501-H508 PolarHBondContact NH2-CE1 3.02Å; R501-H508 PolarHBondContact NH2-NE2 3.14Å
502K96.4Very high97.2Very high114 Ų11445.7 Ų45.750%0.49625%0.251SS..THydrogen-bonded Turntrans-95.6-42177.5-63.3178-162.5152.40112.6I477 D499 G504I477-K502 HydrophobicContact CD1-CD 4.27Å; I477-K502 HydrophobicContact CD1-CG 3.72Å; D499-K502 PolarHBondContact O-N 3.32Å; D499-K502 WeakPolarHBondContact OD1-CD 3.17Å; D499-K502 IonicContact OD1-NZ 2.69Å; D499-K502 PolarHBondContact OD1-NZ 3.43Å; K502-G504 PolarHBondContact O-N 3.17Å
503F97.1Very high97.4Very high158 Ų15841 Ų4169%0.69322%0.222SC*.SBendtrans-103.371.7-170.5-65.5-85000111.6D499D499-F503 HydrophobicContact CB-CD2 3.99Å; D499-F503 HydrophobicContact CB-CE2 4.22Å; D499-F503 WeakPolarHBondContact O-CD2 3.24Å; D499-F503 PolarHBondContact O-N 3.46Å
504G96.6Very high97.6Very high67 Ų6739.4 Ų39.469%0.69121%0.21SC*.SBendtrans78.253.8175.600000113.4K502K502-G504 PolarHBondContact O-N 3.17Å
505T97.9Very high97.8Very high61 Ų6139.2 Ų39.237%0.37421%0.209SC..  trans-61.2153.2177.2-154.60000112.4D475 Q500D475-T505 VanDerWaalsContact O-CG2 3.29Å; D475-T505 WeakPolarHBondContact O-CG2 3.16Å; D475-T505 PolarHBondContact O-OG1 3.45Å; Q500-T505 WeakPolarHBondContact O-CA 3.48Å; Q500-T505 WeakPolarHBondContact O-CB 3.03Å; Q500-T505 PolarHBondContact O-OG1 2.95Å
506C98.3Very high97.8Very high13 Ų1332.6 Ų32.69%0.08818%0.183CC..  trans-143.3154.9176.666.20000110.7F340 H508F340-C506 HydrophobicContact CD1-CB 3.77Å; F340-C506 HydrophobicContact CE1-CB 3.37Å; F340-C506 HydrophobicContact CZ-CB 3.87Å; C506-H508 PolarHBondContact O-N 2.67Å; C506-H508 PolarHBondContact O-ND1 2.9Å
507P98.2Very high97.8Very high64 Ų6431.4 Ų31.442%0.41618%0.179SC..  trans-62.6125.9166.5-19.832.7000109.4F340 I341F340-P507 VanDerWaalsContact CA-O 3.22Å; F340-P507 WeakPolarHBondContact CA-O 3.35Å; F340-P507 PolarHBondContact N-O 3.02Å; I341-P507 PolarHBondContact N-O 2.88Å
508H98.8Very high97.8Very high5 Ų531.4 Ų31.42%0.02318%0.179CC..EExtended strand (participates in β ladder)trans-150.8160-178.261.4-77.4000110.9E301 I304 E337 C338 M472 R473 R501 C506E301-H508 IonicContact OE2-CD2 3.56Å; E301-H508 IonicContact OE2-NE2 2.78Å; E301-H508 PolarHBondContact OE2-NE2 3.29Å; I304-H508 HydrophobicContact CD1-CB 3.55Å; I304-H508 VanDerWaalsContact CD1-CG 3.47Å; E337-H508 IonicContact OE1-CD2 3.63Å; C338-H508 WeakPolarHBondContact O-CA 3.33Å; C338-H508 VanDerWaalsContact O-CB 3.27Å; C338-H508 WeakPolarHBondContact O-CB 3.37Å; M472-H508 VanDerWaalsContact CE-C 3.4Å; M472-H508 WeakPolarHBondContact CE-O 3.29Å; R473-H508 WeakPolarHBondContact CB-NE2 3.37Å; R473-H508 WeakPolarHBondContact CG-CD2 3.4Å; R473-H508 PolarHBondContact N-O 3.12Å; R501-H508 VanDerWaalsContact CZ-CE1 3.47Å; R501-H508 PolarHBondContact NH2-CE1 3.02Å; R501-H508 PolarHBondContact NH2-NE2 3.14Å; C506-H508 PolarHBondContact O-N 2.67Å; C506-H508 PolarHBondContact O-ND1 2.9Å
509G98.8Very high97.9Very high0 Ų031 Ų310%018%0.176CC..EExtended strand (participates in β ladder)trans-155.7166.1179.400000111.3C338 S471C338-G509 PolarHBondContact N-O 2.81Å; C338-G509 PolarHBondContact O-N 3.35Å; S471-G509 VanDerWaalsContact O-CA 3.29Å; S471-G509 WeakPolarHBondContact O-CA 3.41Å
510G98.8Very high97.9Very high0 Ų029.2 Ų29.20%017%0.167CC..EExtended strand (participates in β ladder)trans-163.9-176.8-178.400000112.3A336 E337 G470 S471 R473A336-G510 CarbonylContact O-C 3.59Å; A336-G510 WeakPolarHBondContact O-CA 3.27Å; E337-G510 PolarHBondContact OE1-N 3.17Å; E337-G510 WeakPolarHBondContact OE2-CA 3.37Å; G470-G510 WeakPolarHBondContact CA-O 3.39Å; S471-G510 PolarHBondContact N-O 3.09Å; S471-G510 PolarHBondContact O-N 3.19Å; S471-G510 VanDerWaalsContact O-N 3.08Å; R473-G510 VanDerWaalsContact NH2-CA 3.25Å; R473-G510 PolarHBondContact NH2-O 3.29Å
511Y98.8Very high97.9Very high4 Ų428.9 Ų28.92%0.01616%0.164CC..EExtended strand (participates in β ladder)trans-152.4155.7-174.155.2-99.2000111.6F256 E335 A336 L346 I350 L353 V468 G469F256-Y511 WeakPolarHBondContact CE1-OH 3.28Å; F256-Y511 HydrophobicContact CZ-CE2 4.4Å; E335-Y511 WeakPolarHBondContact CA-O 3.29Å; A336-Y511 HydrophobicContact CB-CE1 4.27Å; A336-Y511 HydrophobicContact CB-CE2 3.85Å; A336-Y511 PolarHBondContact N-O 2.78Å; A336-Y511 PolarHBondContact O-N 3.3Å; L346-Y511 HydrophobicContact CD1-CD1 3.75Å; L346-Y511 HydrophobicContact CD1-CE1 4.49Å; I350-Y511 HydrophobicContact CD1-CD1 4.2Å; I350-Y511 HydrophobicContact CD1-CG 4.34Å; I350-Y511 HydrophobicContact CG1-CD1 3.59Å; I350-Y511 HydrophobicContact CG1-CE1 4.08Å; I350-Y511 HydrophobicContact CG1-CG 3.92Å; L353-Y511 HydrophobicContact CD2-CD2 4.39Å; L353-Y511 HydrophobicContact CD2-CE2 3.47Å; L353-Y511 VanDerWaalsContact CD2-CE2 3.47Å; V468-Y511 HydrophobicContact CG1-CD2 4.13Å; V468-Y511 HydrophobicContact CG1-CG 4.13Å; G469-Y511 CarbonylContact O-C 3.52Å; G469-Y511 WeakPolarHBondContact O-CA 3.4Å
512G98.5Very high97.9Very high13 Ų1328.2 Ų28.213%0.13416%0.162CC..EExtended strand (participates in β ladder)trans-120.1133.2169.700000110.6H333 V334 V468 G469H333-G512 WeakPolarHBondContact NE2-CA 3.3Å; V334-G512 CarbonylContact O-C 3.54Å; V334-G512 WeakPolarHBondContact O-CA 3.42Å; V468-G512 WeakPolarHBondContact CA-O 3.24Å; G469-G512 PolarHBondContact N-O 2.63Å; G469-G512 PolarHBondContact O-N 3.5Å
513L98.2Very high98Very high0 Ų022.9 Ų22.90%014%0.139CC..EExtended strand (participates in β ladder)trans-119.5124.9177.6177.6160.3000109.4F252 H333 V334 L353 V468 F515 F518F252-L513 HydrophobicContact CE1-CD1 3.83Å; F252-L513 HydrophobicContact CE1-CD2 4.41Å; F252-L513 HydrophobicContact CZ-CD1 3.77Å; F252-L513 HydrophobicContact CZ-CD2 4Å; H333-L513 PolarHBondContact CD2-O 3.06Å; V334-L513 HydrophobicContact CB-CB 4.24Å; V334-L513 HydrophobicContact CB-CD2 4.33Å; V334-L513 HydrophobicContact CG2-CD2 4.38Å; V334-L513 PolarHBondContact N-O 3.19Å; V334-L513 PolarHBondContact O-N 3.06Å; L353-L513 HydrophobicContact CD2-CD1 4.35Å; V468-L513 HydrophobicContact CG2-CB 3.99Å; V468-L513 HydrophobicContact CG2-CD1 3.69Å; V468-L513 HydrophobicContact CG2-CG 3.95Å; L513-F515 PolarHBondContact O-N 3.18Å; L513-F515 VanDerWaalsContact O-N 3.13Å; L513-F518 HydrophobicContact CD1-CD2 4.2Å; L513-F518 HydrophobicContact CD2-CB 3.75Å; L513-F518 HydrophobicContact CD2-CG 4.44Å
514G96.9Very high97.9Very high12 Ų1217.6 Ų17.612%0.12413%0.129CC..EExtended strand (participates in β ladder)trans-73.5101.5173.800000110.2E516 R517 F518G514-E516 VanDerWaalsContact C-N 3.31Å; G514-E516 PolarHBondContact O-N 2.73Å; G514-R517 WeakPolarHBondContact O-CA 3.35Å; G514-R517 WeakPolarHBondContact O-CB 3.5Å; G514-R517 PolarHBondContact O-N 3.28Å; G514-F518 PolarHBondContact O-N 2.79Å
515F98.5Very high97.9Very high4 Ų417.1 Ų17.12%0.01811%0.108CC..Hα-helixtrans-58.6-40.8-172179-112.2000112.8V245 A248 L249 F252 N332 V334 L513 R517 F518 C519V245-F515 HydrophobicContact CG1-CE1 3.67Å; V245-F515 HydrophobicContact CG1-CZ 4.05Å; V245-F515 WeakPolarHBondContact O-CZ 3.35Å; A248-F515 HydrophobicContact CB-CE2 4.09Å; A248-F515 HydrophobicContact CB-CZ 4.21Å; L249-F515 HydrophobicContact CB-CE1 4.45Å; L249-F515 HydrophobicContact CB-CE2 4.18Å; L249-F515 HydrophobicContact CB-CZ 3.71Å; L249-F515 HydrophobicContact CD1-CE2 4.39Å; L249-F515 HydrophobicContact CD1-CZ 4.34Å; F252-F515 HydrophobicContact CD2-CD2 4.03Å; F252-F515 AromaticContact CD2-CE2 3.83Å; F252-F515 HydrophobicContact CD2-CE2 3.83Å; F252-F515 AromaticContact CE2-CD2 3.97Å; F252-F515 HydrophobicContact CE2-CD2 3.97Å; F252-F515 AromaticContact CE2-CE2 4Å; F252-F515 HydrophobicContact CE2-CE2 4Å; N332-F515 HydrophobicContact CB-CB 3.8Å; N332-F515 HydrophobicContact CB-CD1 3.96Å; N332-F515 HydrophobicContact CB-CG 4.24Å; N332-F515 WeakPolarHBondContact O-CB 3.48Å; N332-F515 PolarHBondContact O-N 3.21Å; V334-F515 HydrophobicContact CG2-CB 4.12Å; V334-F515 HydrophobicContact CG2-CD2 4.24Å; L513-F515 PolarHBondContact O-N 3.18Å; L513-F515 VanDerWaalsContact O-N 3.13Å; F515-R517 VanDerWaalsContact C-N 3.33Å; F515-R517 PolarHBondContact O-N 2.94Å; F515-F518 WeakPolarHBondContact O-CB 3.27Å; F515-F518 PolarHBondContact O-N 2.79Å; F515-C519 VanDerWaalsContact CZ-SG 3.59Å; F515-C519 PolarHBondContact O-N 2.94Å; F515-C519 PolarHBondContact O-SG 2.96Å
516E98Very high97.6Very high11 Ų1121.1 Ų21.15%0.05113%0.127CC..Hα-helixtrans-66.7-32.8174.6-70.580.8179.400112.3R315 L328 Y331 N332 G514 C519 T520 I528 V531R315-E516 IonicContact NH1-OE1 3.5Å; L328-E516 HydrophobicContact CD1-CB 4.06Å; L328-E516 HydrophobicContact CD1-CG 3.98Å; Y331-E516 WeakPolarHBondContact CB-OE2 3.44Å; N332-E516 PolarHBondContact N-OE1 2.76Å; N332-E516 PolarHBondContact N-OE2 3.08Å; N332-E516 PolarHBondContact ND2-OE1 3.34Å; G514-E516 VanDerWaalsContact C-N 3.31Å; G514-E516 PolarHBondContact O-N 2.73Å; E516-C519 PolarHBondContact O-N 3.19Å; E516-T520 WeakPolarHBondContact O-CB 3.34Å; E516-T520 PolarHBondContact O-N 3.19Å; E516-T520 PolarHBondContact O-OG1 3.31Å; E516-I528 HydrophobicContact CB-CD1 3.75Å; E516-I528 HydrophobicContact CB-CG1 3.56Å; E516-V531 HydrophobicContact CB-CG2 3.93Å; E516-V531 HydrophobicContact CG-CG2 4.25Å; E516-V531 WeakPolarHBondContact O-CG2 3.39Å
517R96.6Very high97.3Very high22 Ų2222.2 Ų22.28%0.08313%0.13CC..Hα-helixtrans-65.4-42.7171.8-69-172.9-178.4178.15110.6R326 H327 V464 E466 L467 G514 F515 C519 T520 W521 I528R326-R517 PolarHBondContact O-NE 3.23Å; H327-R517 PolarHBondContact NE2-NH2 3.38Å; V464-R517 HydrophobicContact CG1-CB 4.35Å; E466-R517 WeakPolarHBondContact O-CD 3.35Å; E466-R517 PolarHBondContact O-NH1 3.43Å; E466-R517 VanDerWaalsContact O-NH1 3.15Å; E466-R517 IonicContact OE2-NH1 2.91Å; E466-R517 PolarHBondContact OE2-NH1 2.89Å; L467-R517 HydrophobicContact CD1-CB 4.28Å; G514-R517 WeakPolarHBondContact O-CA 3.35Å; G514-R517 WeakPolarHBondContact O-CB 3.5Å; G514-R517 PolarHBondContact O-N 3.28Å; F515-R517 VanDerWaalsContact C-N 3.33Å; F515-R517 PolarHBondContact O-N 2.94Å; R517-C519 PolarHBondContact O-N 3.31Å; R517-T520 WeakPolarHBondContact O-CB 3.31Å; R517-T520 PolarHBondContact O-N 2.9Å; R517-W521 PolarHBondContact O-N 2.95Å; R517-I528 HydrophobicContact CG-CD1 3.72Å
518F98.2Very high97.2Very high0 Ų019.4 Ų19.40%011%0.112CC..Hα-helixtrans-57.1-49.1173.1-179-89.6000111.9A248 F252 V354 V357 I361 L467 L513 G514 F515 T520 W521 L522A248-F518 HydrophobicContact CB-CE1 4.38Å; F252-F518 AromaticContact CE2-CD1 3.58Å; F252-F518 HydrophobicContact CE2-CD1 3.58Å; F252-F518 HydrophobicContact CE2-CD2 4.25Å; F252-F518 AromaticContact CE2-CE1 3.62Å; F252-F518 HydrophobicContact CE2-CE1 3.62Å; F252-F518 HydrophobicContact CE2-CE2 4.29Å; F252-F518 AromaticContact CE2-CG 3.91Å; F252-F518 HydrophobicContact CE2-CG 3.91Å; F252-F518 HydrophobicContact CE2-CZ 4Å; F252-F518 AromaticContact CZ-CD1 3.98Å; F252-F518 HydrophobicContact CZ-CD1 3.98Å; F252-F518 AromaticContact CZ-CD2 3.78Å; F252-F518 HydrophobicContact CZ-CD2 3.78Å; F252-F518 HydrophobicContact CZ-CE1 4.06Å; F252-F518 AromaticContact CZ-CE2 3.87Å; F252-F518 HydrophobicContact CZ-CE2 3.87Å; F252-F518 AromaticContact CZ-CG 3.85Å; F252-F518 HydrophobicContact CZ-CG 3.85Å; F252-F518 HydrophobicContact CZ-CZ 4.02Å; V354-F518 HydrophobicContact CG1-CE2 4.47Å; V357-F518 HydrophobicContact CG1-CE1 4.14Å; V357-F518 HydrophobicContact CG1-CZ 3.73Å; I361-F518 HydrophobicContact CD1-CE1 4.06Å; I361-F518 HydrophobicContact CD1-CZ 4.37Å; L467-F518 HydrophobicContact CD1-CB 3.71Å; L467-F518 HydrophobicContact CD1-CD2 4.22Å; L467-F518 HydrophobicContact CD1-CG 4.46Å; L467-F518 HydrophobicContact CD2-CD2 4.08Å; L513-F518 HydrophobicContact CD1-CD2 4.2Å; L513-F518 HydrophobicContact CD2-CB 3.75Å; L513-F518 HydrophobicContact CD2-CG 4.44Å; G514-F518 PolarHBondContact O-N 2.79Å; F515-F518 WeakPolarHBondContact O-CB 3.27Å; F515-F518 PolarHBondContact O-N 2.79Å; F518-T520 VanDerWaalsContact C-N 3.28Å; F518-T520 PolarHBondContact O-N 2.78Å; F518-W521 HydrophobicContact CD2-CE3 4.06Å; F518-W521 HydrophobicContact CD2-CZ3 4.08Å; F518-W521 HydrophobicContact CE2-CE3 4.07Å; F518-W521 AromaticContact CE2-CZ3 3.66Å; F518-W521 HydrophobicContact CE2-CZ3 3.66Å; F518-W521 HydrophobicContact CZ-CZ3 4.28Å; F518-W521 PolarHBondContact O-N 2.9Å; F518-L522 HydrophobicContact CE1-CB 4.35Å; F518-L522 HydrophobicContact CE1-CD2 3.98Å; F518-L522 VanDerWaalsContact O-CB 3.3Å; F518-L522 WeakPolarHBondContact O-CB 3.47Å; F518-L522 PolarHBondContact O-N 3.43Å
519C98.4Very high97Very high1 Ų121.1 Ų21.11%0.00712%0.118CC..Hα-helixtrans-64.1-35.9178.6-65.70000111.7V245 F515 E516 R517 L523 V531V245-C519 HydrophobicContact CG2-CB 4.16Å; F515-C519 VanDerWaalsContact CZ-SG 3.59Å; F515-C519 PolarHBondContact O-N 2.94Å; F515-C519 PolarHBondContact O-SG 2.96Å; E516-C519 PolarHBondContact O-N 3.19Å; R517-C519 PolarHBondContact O-N 3.31Å; C519-L523 HydrophobicContact CB-CD1 4.47Å; C519-L523 WeakPolarHBondContact O-CB 3.33Å; C519-L523 WeakPolarHBondContact O-CG 3.22Å; C519-L523 PolarHBondContact O-N 2.96Å; C519-V531 HydrophobicContact CB-CB 3.95Å; C519-V531 HydrophobicContact CB-CG1 4.09Å; C519-V531 HydrophobicContact CB-CG2 4.02Å
520T97.6Very high96.9Very high9 Ų923.8 Ų23.86%0.05513%0.132CC..Hα-helixtrans-62.5-45.7176.6-58.90000111.1V464 E516 R517 F518 G524 K525 I528V464-T520 HydrophobicContact CG2-CG2 4.3Å; E516-T520 WeakPolarHBondContact O-CB 3.34Å; E516-T520 PolarHBondContact O-N 3.19Å; E516-T520 PolarHBondContact O-OG1 3.31Å; R517-T520 WeakPolarHBondContact O-CB 3.31Å; R517-T520 PolarHBondContact O-N 2.9Å; F518-T520 VanDerWaalsContact C-N 3.28Å; F518-T520 PolarHBondContact O-N 2.78Å; T520-G524 PolarHBondContact O-N 3.3Å; T520-G524 VanDerWaalsContact O-N 3.16Å; T520-K525 HydrophobicContact CG2-CB 4.16Å; T520-K525 WeakPolarHBondContact CG2-O 3.31Å; T520-K525 PolarHBondContact O-N 3.25Å; T520-I528 WeakPolarHBondContact OG1-CA 3.5Å
521W97.2Very high96.9Very high34 Ų3424 Ų2413%0.12913%0.133CC..Hα-helixtrans-63.8-54.5175.4168.863.1000112V354 F376 P379 V461 V464 L467 R517 F518 L523 G524V354-W521 HydrophobicContact CG1-CH2 3.9Å; V354-W521 HydrophobicContact CG1-CZ3 3.96Å; F376-W521 HydrophobicContact CE2-CH2 4.47Å; F376-W521 HydrophobicContact CE2-CZ2 4.44Å; P379-W521 HydrophobicContact CG-CH2 4Å; V461-W521 HydrophobicContact CB-CD2 4.43Å; V461-W521 HydrophobicContact CB-CG 4.45Å; V461-W521 HydrophobicContact CG1-CZ2 4.38Å; V461-W521 HydrophobicContact CG2-CB 4.27Å; V461-W521 HydrophobicContact CG2-CD2 4.03Å; V461-W521 HydrophobicContact CG2-CG 3.71Å; V464-W521 HydrophobicContact CB-CB 4.28Å; V464-W521 HydrophobicContact CG2-CB 3.62Å; L467-W521 HydrophobicContact CD2-CE3 3.96Å; L467-W521 HydrophobicContact CD2-CZ3 4.21Å; R517-W521 PolarHBondContact O-N 2.95Å; F518-W521 HydrophobicContact CD2-CE3 4.06Å; F518-W521 HydrophobicContact CD2-CZ3 4.08Å; F518-W521 HydrophobicContact CE2-CE3 4.07Å; F518-W521 AromaticContact CE2-CZ3 3.66Å; F518-W521 HydrophobicContact CE2-CZ3 3.66Å; F518-W521 HydrophobicContact CZ-CZ3 4.28Å; F518-W521 PolarHBondContact O-N 2.9Å; W521-L523 VanDerWaalsContact C-N 3.29Å; W521-L523 PolarHBondContact O-N 2.97Å; W521-G524 PolarHBondContact O-N 2.88Å
522L98.1Very high96.8Very high1 Ų124.2 Ų24.21%0.00514%0.136CC..Hα-helixtrans-53.4-46.5179.8178.672.9000111.7A248 I361 L369 N373 F376 F518A248-L522 HydrophobicContact CB-CD2 4.31Å; I361-L522 HydrophobicContact CD1-CD1 4.42Å; I361-L522 HydrophobicContact CD1-CD2 3.74Å; I361-L522 HydrophobicContact CG2-CD2 4.41Å; L369-L522 HydrophobicContact CD1-CD1 4.2Å; L369-L522 HydrophobicContact CD1-CG 3.95Å; L369-L522 HydrophobicContact CD2-CD1 3.73Å; L369-L522 HydrophobicContact CD2-CG 4.32Å; N373-L522 PolarHBondContact ND2-O 3.48Å; F376-L522 HydrophobicContact CD2-CD1 4.23Å; F376-L522 HydrophobicContact CE1-CD1 4.06Å; F376-L522 HydrophobicContact CE2-CD1 3.62Å; F376-L522 HydrophobicContact CZ-CD1 3.51Å; F518-L522 HydrophobicContact CE1-CB 4.35Å; F518-L522 HydrophobicContact CE1-CD2 3.98Å; F518-L522 VanDerWaalsContact O-CB 3.3Å; F518-L522 WeakPolarHBondContact O-CB 3.47Å; F518-L522 PolarHBondContact O-N 3.43Å
523L97.9Very high96.8Very high1 Ų127.8 Ų27.81%0.00515%0.151CC..THydrogen-bonded Turntrans-90.73.9-172.9-56.2178.9000114V241 L244 V245 L369 V372 C519 W521 K525 V531V241-L523 HydrophobicContact CB-CD1 4.37Å; V241-L523 HydrophobicContact CG1-CD1 3.82Å; V241-L523 HydrophobicContact CG2-CD1 4.4Å; L244-L523 HydrophobicContact CB-CD1 4.41Å; L244-L523 HydrophobicContact CB-CD2 3.7Å; L244-L523 HydrophobicContact CD1-CD2 3.42Å; L244-L523 VanDerWaalsContact CD1-CD2 3.42Å; L244-L523 HydrophobicContact CG-CD2 4.16Å; V245-L523 HydrophobicContact CG2-CD1 4.17Å; L369-L523 HydrophobicContact CD1-CD2 3.74Å; V372-L523 HydrophobicContact CG1-CB 4.23Å; V372-L523 HydrophobicContact CG1-CD2 4.37Å; C519-L523 HydrophobicContact CB-CD1 4.47Å; C519-L523 WeakPolarHBondContact O-CB 3.33Å; C519-L523 WeakPolarHBondContact O-CG 3.22Å; C519-L523 PolarHBondContact O-N 2.96Å; W521-L523 VanDerWaalsContact C-N 3.29Å; W521-L523 PolarHBondContact O-N 2.97Å; L523-K525 VanDerWaalsContact C-N 3.3Å; L523-K525 HydrophobicContact CB-CG 4.03Å; L523-K525 PolarHBondContact O-N 3.46Å; L523-V531 HydrophobicContact CD1-CG1 4.01Å
524G96.2Very high96.8Very high47 Ų4731.5 Ų31.549%0.48517%0.166SC..THydrogen-bonded Turntrans58.539.4178.800000113.1N373 T520 W521N373-G524 PolarHBondContact ND2-N 3.3Å; T520-G524 PolarHBondContact O-N 3.3Å; T520-G524 VanDerWaalsContact O-N 3.16Å; W521-G524 PolarHBondContact O-N 2.88Å
525K95.5Very high96.8Very high58 Ų5831 Ų3125%0.25216%0.161SC..  trans-92.1143.5179.9-61.9-55.7-179.4-169.50111.4T520 L523 V531T520-K525 HydrophobicContact CG2-CB 4.16Å; T520-K525 WeakPolarHBondContact CG2-O 3.31Å; T520-K525 PolarHBondContact O-N 3.25Å; L523-K525 VanDerWaalsContact C-N 3.3Å; L523-K525 HydrophobicContact CB-CG 4.03Å; L523-K525 PolarHBondContact O-N 3.46Å; K525-V531 HydrophobicContact CB-CG1 4.36Å; K525-V531 HydrophobicContact CG-CG1 3.93Å
526D91.3Very high96.7Very high144 Ų14433.6 Ų33.677%0.7717%0.17SC*.SBendtrans-76.6-24.6179.8-65.5-44.9000113.5
527H93.7Very high96.6Very high36 Ų3634.5 Ų34.517%0.16717%0.174CC..SBendtrans-140.2132.8-174.3-163.6-36.8000111.9R529 D530H527-R529 HydrophobicContact CB-CG 4.24Å; H527-R529 VanDerWaalsContact CD2-CZ 3.48Å; H527-R529 PolarHBondContact CD2-NH1 3.04Å; H527-R529 PolarHBondContact ND1-N 3.44Å; H527-R529 PolarHBondContact NE2-NH1 3.23Å; H527-R529 PolarHBondContact O-N 2.83Å; H527-D530 WeakPolarHBondContact O-CB 3.37Å; H527-D530 PolarHBondContact O-N 2.92Å
528I95.1Very high96.3Very high5 Ų537.9 Ų37.93%0.02619%0.192CC..G310 helixtrans-55.7-27.4-178.7-161.1168.5000115.1R325 R326 L328 E516 R517 T520 D530 V531 C532R325-I528 VanDerWaalsContact O-CB 3.29Å; R325-I528 WeakPolarHBondContact O-CB 3.4Å; R325-I528 WeakPolarHBondContact O-CG2 3.4Å; R325-I528 PolarHBondContact O-N 2.95Å; R326-I528 WeakPolarHBondContact O-CD1 3.36Å; L328-I528 HydrophobicContact CD1-CD1 3.93Å; L328-I528 HydrophobicContact CD1-CG1 4.03Å; L328-I528 HydrophobicContact CD1-CG2 4.46Å; L328-I528 HydrophobicContact CD2-CG2 4Å; L328-I528 HydrophobicContact CG-CD1 4.16Å; L328-I528 HydrophobicContact CG-CG1 4.4Å; L328-I528 HydrophobicContact CG-CG2 3.98Å; E516-I528 HydrophobicContact CB-CD1 3.75Å; E516-I528 HydrophobicContact CB-CG1 3.56Å; R517-I528 HydrophobicContact CG-CD1 3.72Å; T520-I528 WeakPolarHBondContact OG1-CA 3.5Å; I528-D530 PolarHBondContact O-N 3.4Å; I528-V531 HydrophobicContact CG1-CG2 4.48Å; I528-V531 WeakPolarHBondContact O-CG2 3.29Å; I528-V531 PolarHBondContact O-N 2.86Å; I528-C532 PolarHBondContact O-SG 3.46Å; I528-C532 VanDerWaalsContact O-SG 3.36Å
529R95.3Very high96Very high42 Ų4241.2 Ų41.216%0.15823%0.227CC..G310 helixtrans-65.1-23.7179.973.9-172.4179-152.6-1.2113I222 R229 H527 V531 C532 P535I222-R529 VanDerWaalsContact CG1-NH2 3.34Å; R229-R529 VanDerWaalsContact CZ-O 3.31Å; R229-R529 PolarHBondContact NH2-O 3.44Å; H527-R529 HydrophobicContact CB-CG 4.24Å; H527-R529 VanDerWaalsContact CD2-CZ 3.48Å; H527-R529 PolarHBondContact CD2-NH1 3.04Å; H527-R529 PolarHBondContact ND1-N 3.44Å; H527-R529 PolarHBondContact NE2-NH1 3.23Å; H527-R529 PolarHBondContact O-N 2.83Å; R529-V531 VanDerWaalsContact C-N 3.29Å; R529-V531 PolarHBondContact O-N 3.27Å; R529-C532 PolarHBondContact O-N 3.3Å; R529-P535 HydrophobicContact CB-CB 4.08Å; R529-P535 HydrophobicContact CB-CG 4.01Å
530D96.2Very high95.8Very high55 Ų5542 Ų4229%0.29423%0.229SC..G310 helixtrans-77.2-19.5-174.3-66-28.7000112.2R229 H527 I528R229-D530 PolarHBondContact NH2-O 2.75Å; H527-D530 WeakPolarHBondContact O-CB 3.37Å; H527-D530 PolarHBondContact O-N 2.92Å; I528-D530 PolarHBondContact O-N 3.4Å
531V97.8Very high95.7Very high4 Ų446.6 Ų46.62%0.02426%0.26CS..G310 helixtrans-93-6.9174.1-56.70000113.4V241 V245 E516 C519 L523 K525 I528 R529V241-V531 HydrophobicContact CG1-CB 4.4Å; V241-V531 HydrophobicContact CG1-CG1 4.2Å; V245-V531 HydrophobicContact CG2-CB 4.26Å; E516-V531 HydrophobicContact CB-CG2 3.93Å; E516-V531 HydrophobicContact CG-CG2 4.25Å; E516-V531 WeakPolarHBondContact O-CG2 3.39Å; C519-V531 HydrophobicContact CB-CB 3.95Å; C519-V531 HydrophobicContact CB-CG1 4.09Å; C519-V531 HydrophobicContact CB-CG2 4.02Å; L523-V531 HydrophobicContact CD1-CG1 4.01Å; K525-V531 HydrophobicContact CB-CG1 4.36Å; K525-V531 HydrophobicContact CG-CG1 3.93Å; I528-V531 HydrophobicContact CG1-CG2 4.48Å; I528-V531 WeakPolarHBondContact O-CG2 3.29Å; I528-V531 PolarHBondContact O-N 2.86Å; R529-V531 VanDerWaalsContact C-N 3.29Å; R529-V531 PolarHBondContact O-N 3.27Å
532C98.2Very high95.6Very high9 Ų953.3 Ų53.36%0.06129%0.286CS..SBendtrans-82.8153.4175.2-56.40000111.9R229 I528 R529 P535R229-C532 PolarHBondContact NE-O 2.84Å; R229-C532 PolarHBondContact NH2-O 3.43Å; I528-C532 PolarHBondContact O-SG 3.46Å; I528-C532 VanDerWaalsContact O-SG 3.36Å; R529-C532 PolarHBondContact O-N 3.3Å; C532-P535 HydrophobicContact CB-CB 3.89Å
533L98.3Very high95.5Very high89 Ų8956.6 Ų56.647%0.46631%0.307SS..SBendtrans-67.1-63.1164.4179.660.9000110.1R229 I233 L242R229-L533 WeakPolarHBondContact CD-O 3.38Å; R229-L533 PolarHBondContact NE-O 3.04Å; I233-L533 HydrophobicContact CD1-CD1 4.05Å; I233-L533 HydrophobicContact CG2-CD1 4.34Å; L242-L533 HydrophobicContact CD1-CD1 4.12Å
534Y98.2Very high95.4Very high77 Ų7759.4 Ų59.430%0.30232%0.322SS..SBendtrans-13698.2176-58.9-50000109R229 H230 R536 P543R229-Y534 HydrophobicContact CB-CD1 4.04Å; R229-Y534 HydrophobicContact CB-CE1 4.05Å; R229-Y534 HydrophobicContact CG-CD1 4.04Å; R229-Y534 HydrophobicContact CG-CE1 4.17Å; H230-Y534 HydrophobicContact CB-CE1 4.37Å; H230-Y534 WeakPolarHBondContact CB-OH 2.9Å; Y534-R536 PolarHBondContact O-NH1 3.1Å; Y534-P543 WeakPolarHBondContact CB-OXT 3.47Å; Y534-P543 HydrophobicContact CD1-CB 4Å; Y534-P543 WeakPolarHBondContact CD1-OXT 3.47Å; Y534-P543 HydrophobicContact CD2-CB 4.46Å; Y534-P543 HydrophobicContact CE1-CB 4.04Å; Y534-P543 HydrophobicContact CG-CB 4.19Å
535P97Very high95.3Very high2 Ų260 Ų601%0.01331%0.314CS..  trans-67.8151-170.629.6-37000112.3L226 L328 R529 C532 F537L226-P535 HydrophobicContact CD2-CG 4Å; L328-P535 HydrophobicContact CD2-CB 4.06Å; R529-P535 HydrophobicContact CB-CB 4.08Å; R529-P535 HydrophobicContact CB-CG 4.01Å; C532-P535 HydrophobicContact CB-CB 3.89Å; P535-F537 HydrophobicContact CB-CD1 4.1Å; P535-F537 HydrophobicContact CB-CE1 4.03Å; P535-F537 HydrophobicContact CG-CE1 3.95Å
536R96.6Very high95.3Very high59 Ų5960.1 Ų60.122%0.22332%0.317CS..BIsolated β-bridgetrans-116.6129170.1-63.3-65.6174.5-99.13.7109.8L328 S329 E330 Y534 R542L328-R536 CarbonylContact C-O 3.57Å; L328-R536 WeakPolarHBondContact CA-O 3.43Å; S329-R536 PolarHBondContact N-O 3.36Å; E330-R536 HydrophobicContact CB-CB 3.95Å; E330-R536 HydrophobicContact CB-CG 4.17Å; E330-R536 WeakPolarHBondContact OE2-CG 3.47Å; Y534-R536 PolarHBondContact O-NH1 3.1Å; R536-R542 PolarHBondContact NH1-O 3.45Å
537F94.2Very high95.5Very high29 Ų2955.2 Ų55.213%0.12729%0.29CS..BIsolated β-bridgetrans-160.4172.4175.452-99.6000109.3L226 L328 S329 P535 G539 R540L226-F537 HydrophobicContact CD1-CE1 4.31Å; L226-F537 HydrophobicContact CD1-CZ 3.83Å; L328-F537 HydrophobicContact CD2-CD1 4.44Å; S329-F537 WeakPolarHBondContact OG-CA 3.42Å; P535-F537 HydrophobicContact CB-CD1 4.1Å; P535-F537 HydrophobicContact CB-CE1 4.03Å; P535-F537 HydrophobicContact CG-CE1 3.95Å; F537-G539 PolarHBondContact O-N 2.97Å; F537-R540 HydrophobicContact CD1-CB 4.34Å; F537-R540 HydrophobicContact CD2-CB 3.82Å; F537-R540 HydrophobicContact CE1-CB 4.08Å; F537-R540 HydrophobicContact CE1-CG 4.26Å; F537-R540 HydrophobicContact CE2-CB 3.51Å; F537-R540 HydrophobicContact CE2-CG 4.42Å; F537-R540 HydrophobicContact CG-CB 4.24Å; F537-R540 HydrophobicContact CZ-CB 3.67Å; F537-R540 VanDerWaalsContact CZ-CD 3.44Å; F537-R540 HydrophobicContact CZ-CG 4.08Å; F537-R540 PolarHBondContact N-O 3.25Å; F537-R540 PolarHBondContact O-N 2.99Å
538M91.1Very high95.7Very high93 Ų9356.4 Ų56.446%0.45830%0.298SS..THydrogen-bonded Turntrans-52.3116.3-178.1-171-176.4-176.700112.2K321 R323K321-M538 HydrophobicContact CB-CE 4.33Å; K321-M538 HydrophobicContact CB-SD 3.93Å; K321-M538 HydrophobicContact CG-CE 4.34Å; K321-M538 HydrophobicContact CG-SD 4.37Å; R323-M538 HydrophobicContact CG-CB 4.5Å; R323-M538 VanDerWaalsContact CZ-O 3.31Å; R323-M538 PolarHBondContact NE-O 3.46Å; R323-M538 PolarHBondContact NH2-O 3.13Å
539G91.7Very high95.7Very high71 Ų7159.8 Ų59.873%0.73232%0.316SS*.THydrogen-bonded Turntrans82.910.2-177.800000115.8F537F537-G539 PolarHBondContact O-N 2.97Å
540R93.6Very high95.7Very high17 Ų1761.1 Ų61.16%0.06433%0.328CS..BIsolated β-bridgetrans-132.4109171.4-178.7156.4-66.5-82.5-4.1111.9D223 D227 F537D223-R540 PolarHBondContact O-NH2 3.15Å; D223-R540 IonicContact OD1-NH2 3.53Å; D223-R540 PolarHBondContact OD1-NH2 2.95Å; D223-R540 VanDerWaalsContact OD1-NH2 3.11Å; D227-R540 IonicContact OD1-CZ 2.85Å; D227-R540 VanDerWaalsContact OD1-CZ 3.28Å; D227-R540 IonicContact OD1-NH1 3.29Å; D227-R540 PolarHBondContact OD1-NH1 2.94Å; D227-R540 IonicContact OD1-NH2 3.54Å; D227-R540 PolarHBondContact OD1-NH2 2.8Å; F537-R540 HydrophobicContact CD1-CB 4.34Å; F537-R540 HydrophobicContact CD2-CB 3.82Å; F537-R540 HydrophobicContact CE1-CB 4.08Å; F537-R540 HydrophobicContact CE1-CG 4.26Å; F537-R540 HydrophobicContact CE2-CB 3.51Å; F537-R540 HydrophobicContact CE2-CG 4.42Å; F537-R540 HydrophobicContact CG-CB 4.24Å; F537-R540 HydrophobicContact CZ-CB 3.67Å; F537-R540 VanDerWaalsContact CZ-CD 3.44Å; F537-R540 HydrophobicContact CZ-CG 4.08Å; F537-R540 PolarHBondContact N-O 3.25Å; F537-R540 PolarHBondContact O-N 2.99Å
541C95.9Very high95.7Very high105 Ų10561.5 Ų61.571%0.70933%0.33SS*.  trans-136.233.5174.4-159.90000111.6
542R95.8Very high95.5Very high176 Ų17666.3 Ų66.366%0.66436%0.356SS*.  trans-119.1162.6174.7-65.4-179.6-176.7174.60.3108.3R536R536-R542 PolarHBondContact NH1-O 3.45Å
543P95.5Very high95.3Very high69 Ų6971.5 Ų71.545%0.44838%0.382SS..  trans-450169.1-27.836.8000111.5L226 Y534L226-P543 CarbonylContact O-C 3.43Å; Y534-P543 WeakPolarHBondContact CB-OXT 3.47Å; Y534-P543 HydrophobicContact CD1-CB 4Å; Y534-P543 WeakPolarHBondContact CD1-OXT 3.47Å; Y534-P543 HydrophobicContact CD2-CB 4.46Å; Y534-P543 HydrophobicContact CE1-CB 4.04Å; Y534-P543 HydrophobicContact CG-CB 4.19Å

Retrieved 543 of 543 residues in 327.5 ms (Link to these results)

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