A0A077ZDW0_TRITR Loading...

CUB and Ldl recept a domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDW0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 679 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
1M35.9Very low69.9Low247 Ų247118.5 Ų118.5100%1.21763%0.632SS**  0171.80-73.3165.6174.600108.6S3M1-S3 PolarHBondContact O-N 3.33Å
2T40.1Very low72.2Confident138 Ų138115.5 Ų115.585%0.84762%0.621SS**  trans-55.8132-166.640.20000113.6G4T2-G4 VanDerWaalsContact C-N 3.27Å; T2-G4 PolarHBondContact O-N 2.8Å
3S44.1Very low74.2Confident124 Ų124109.8 Ų109.887%0.86759%0.586SS**  trans-70.788.1164.3-172.10000108.5M1 R5M1-S3 PolarHBondContact O-N 3.33Å; S3-R5 PolarHBondContact O-N 3.17Å
4G54.3Low75.8Confident50 Ų50106.4 Ų106.452%0.51557%0.568SS.*  trans-64.4103.6175.300000109.3T2 T6T2-G4 VanDerWaalsContact C-N 3.27Å; T2-G4 PolarHBondContact O-N 2.8Å; G4-T6 PolarHBondContact O-N 3.33Å; G4-T6 VanDerWaalsContact O-N 3.12Å
5R62Low77.2Confident234 Ų23499.5 Ų99.588%0.88353%0.533SS*.  trans-67.3110.6179.2-165.9179.2-160.51644.4108.2S3 K7S3-R5 PolarHBondContact O-N 3.17Å; R5-K7 PolarHBondContact O-N 3.45Å
6T67.2Low78.4Confident68 Ų68100.8 Ų100.842%0.41754%0.539SS..  trans-55.2138.2-17950.40000110.3G4 D8 D35G4-T6 PolarHBondContact O-N 3.33Å; G4-T6 VanDerWaalsContact O-N 3.12Å; T6-D8 VanDerWaalsContact C-N 3.28Å; T6-D8 WeakPolarHBondContact CB-OD1 3.3Å; T6-D8 PolarHBondContact O-N 2.81Å; T6-D8 PolarHBondContact OG1-OD1 2.77Å; T6-D35 CarbonylContact C-O 3.59Å; T6-D35 VanDerWaalsContact CA-O 3.29Å; T6-D35 WeakPolarHBondContact CA-O 3.32Å
7K82.6Confident79.4Confident127 Ų127102.4 Ų102.455%0.55255%0.553SS**EExtended strand (participates in β ladder)trans-8183.6176.7-70.1174.2-176.5167.10108.2R5 C9 P33 D35 T36 R37R5-K7 PolarHBondContact O-N 3.45Å; K7-C9 PolarHBondContact O-SG 3.02Å; K7-P33 HydrophobicContact CD-CB 4.49Å; K7-D35 PolarHBondContact N-O 3.05Å; K7-T36 HydrophobicContact CB-CG2 4.28Å; K7-T36 WeakPolarHBondContact CB-OG1 3.27Å; K7-T36 WeakPolarHBondContact O-CA 3.29Å; K7-T36 WeakPolarHBondContact O-CG2 2.97Å; K7-R37 PolarHBondContact O-N 2.87Å
8D92.7Very high80.4Confident114 Ų11498.6 Ų98.661%0.6154%0.538SS*.EExtended strand (participates in β ladder)trans-75.4128.2179.1-67.32.3000110.1T6 R37T6-D8 VanDerWaalsContact C-N 3.28Å; T6-D8 WeakPolarHBondContact CB-OD1 3.3Å; T6-D8 PolarHBondContact O-N 2.81Å; T6-D8 PolarHBondContact OG1-OD1 2.77Å; D8-R37 WeakPolarHBondContact CA-O 3.01Å
9C95.5Very high81.2Confident22 Ų2296.6 Ų96.615%0.14954%0.537CS..EExtended strand (participates in β ladder)trans-130.7139.5-177.8190000110.1K7 Y11 T36 R37 C38 R39K7-C9 PolarHBondContact O-SG 3.02Å; C9-Y11 HydrophobicContact CB-CE2 3.97Å; C9-T36 VanDerWaalsContact SG-CG2 3.57Å; C9-R37 PolarHBondContact N-O 3.47Å; C9-R37 PolarHBondContact SG-O 2.92Å; C9-R37 VanDerWaalsContact SG-O 3.4Å; C9-C38 HydrophobicContact CB-CB 3.88Å; C9-C38 WeakPolarHBondContact CB-SG 3.17Å; C9-C38 CarbonylContact O-C 3.57Å; C9-C38 VanDerWaalsContact O-CA 3.29Å; C9-C38 WeakPolarHBondContact O-CA 3.07Å; C9-C38 WeakPolarHBondContact SG-CA 3.18Å; C9-C38 WeakPolarHBondContact SG-CB 3.32Å; C9-C38 PolarHBondContact SG-N 3.23Å; C9-C38 VanDerWaalsContact SG-N 3.4Å; C9-C38 CovalentContact SG-SG 2.04Å; C9-C38 PolarHBondContact SG-SG 3.29Å; C9-R39 PolarHBondContact O-N 3Å
10V97.2Very high82Confident88 Ų8896.8 Ų96.853%0.53354%0.536SS..EExtended strand (participates in β ladder)trans-134.1118.5176.9-176.20000109.6R39V10-R39 WeakPolarHBondContact CA-O 3.19Å
11Y97.5Very high82.7Confident91 Ų9193.2 Ų93.236%0.35752%0.521SS..EExtended strand (participates in β ladder)trans-110.4137.3173.4-58.1-82.3000108.1C9 C38 R39 F40 R41C9-Y11 HydrophobicContact CB-CE2 3.97Å; Y11-C38 HydrophobicContact CE2-CB 4.31Å; Y11-R39 PolarHBondContact N-O 3.03Å; Y11-F40 AromaticContact CD2-CD1 3.52Å; Y11-F40 HydrophobicContact CD2-CD1 3.52Å; Y11-F40 AromaticContact CD2-CE1 3.26Å; Y11-F40 HydrophobicContact CD2-CE1 3.26Å; Y11-F40 HydrophobicContact CD2-CG 4.28Å; Y11-F40 AromaticContact CD2-CZ 3.84Å; Y11-F40 HydrophobicContact CD2-CZ 3.84Å; Y11-F40 HydrophobicContact CE2-CD1 4.41Å; Y11-F40 AromaticContact CE2-CE1 3.71Å; Y11-F40 HydrophobicContact CE2-CE1 3.71Å; Y11-F40 AromaticContact CE2-CZ 3.99Å; Y11-F40 HydrophobicContact CE2-CZ 3.99Å; Y11-F40 AromaticContact CG-CD1 3.89Å; Y11-F40 HydrophobicContact CG-CD1 3.89Å; Y11-F40 AromaticContact CG-CE1 3.92Å; Y11-F40 HydrophobicContact CG-CE1 3.92Å; Y11-F40 WeakPolarHBondContact O-CA 3.44Å; Y11-R41 PolarHBondContact O-N 3.43Å
12T97.6Very high85.7Confident83 Ų8386.5 Ų86.551%0.50950%0.495SS..EExtended strand (participates in β ladder)trans-131.8120.5178.7-59.50000109.8R41T12-R41 WeakPolarHBondContact CA-O 3.34Å; T12-R41 HydrophobicContact CG2-CB 4.26Å
13Y98Very high88.4Confident42 Ų4280.2 Ų80.217%0.16546%0.455CS..EExtended strand (participates in β ladder)trans-107.8132.7177.9-53.7-83.5000108.5F23 F40 R41 F42 R43 Y125 F127Y13-F23 HydrophobicContact CE2-CB 4Å; Y13-F23 VanDerWaalsContact OH-CB 3.29Å; Y13-F23 WeakPolarHBondContact OH-CB 3.48Å; Y13-F40 HydrophobicContact CE2-CB 4.28Å; Y13-F40 HydrophobicContact CE2-CD1 4.12Å; Y13-R41 PolarHBondContact N-O 3.48Å; Y13-F42 AromaticContact CD2-CD1 3.55Å; Y13-F42 HydrophobicContact CD2-CD1 3.55Å; Y13-F42 AromaticContact CD2-CE1 3.25Å; Y13-F42 HydrophobicContact CD2-CE1 3.25Å; Y13-F42 HydrophobicContact CD2-CG 4.39Å; Y13-F42 AromaticContact CD2-CZ 3.9Å; Y13-F42 HydrophobicContact CD2-CZ 3.9Å; Y13-F42 HydrophobicContact CE2-CD1 4.37Å; Y13-F42 AromaticContact CE2-CE1 3.63Å; Y13-F42 HydrophobicContact CE2-CE1 3.63Å; Y13-F42 AromaticContact CE2-CZ 3.92Å; Y13-F42 HydrophobicContact CE2-CZ 3.92Å; Y13-F42 AromaticContact CG-CD1 3.99Å; Y13-F42 HydrophobicContact CG-CD1 3.99Å; Y13-F42 AromaticContact CG-CE1 3.91Å; Y13-F42 HydrophobicContact CG-CE1 3.91Å; Y13-R43 PolarHBondContact O-N 3.21Å; Y13-Y125 HydrophobicContact CD1-CD1 4.17Å; Y13-Y125 AromaticContact CD1-CE1 3.32Å; Y13-Y125 HydrophobicContact CD1-CE1 3.32Å; Y13-Y125 HydrophobicContact CD1-CE2 4.46Å; Y13-Y125 AromaticContact CD1-CZ 3.51Å; Y13-Y125 WeakPolarHBondContact CD1-OH 3.03Å; Y13-Y125 HydrophobicContact CE1-CD1 4.44Å; Y13-Y125 AromaticContact CE1-CE1 3.68Å; Y13-Y125 HydrophobicContact CE1-CE1 3.68Å; Y13-Y125 HydrophobicContact CG-CD1 4.27Å; Y13-Y125 AromaticContact CG-CE1 3.79Å; Y13-Y125 HydrophobicContact CG-CE1 3.79Å; Y13-Y125 HydrophobicContact CG-CE2 4.47Å; Y13-Y125 AromaticContact CG-CZ 3.91Å; Y13-F127 WeakPolarHBondContact O-CZ 3.16Å
14N97Very high91Very high61 Ų6175.8 Ų75.833%0.32643%0.426SS..EExtended strand (participates in β ladder)trans-130.1128.1-170.8-170.5-38.8000110.9N16 V17 A18 R43N14-N16 PolarHBondContact O-N 3.03Å; N14-N16 VanDerWaalsContact O-N 3.14Å; N14-N16 WeakPolarHBondContact OD1-CB 3.33Å; N14-N16 PolarHBondContact OD1-N 2.95Å; N14-V17 HydrophobicContact CB-CG2 4.17Å; N14-V17 PolarHBondContact O-N 3.37Å; N14-A18 PolarHBondContact O-N 3.24Å; N14-R43 CarbonylContact C-O 3.57Å; N14-R43 WeakPolarHBondContact CA-O 3.26Å
15G96.5Very high93Very high4 Ų473.6 Ų73.64%0.04140%0.403CS..THydrogen-bonded Turntrans-66.8-6.1179.400000115.7R43 R45G15-R43 PolarHBondContact N-O 3.46Å; G15-R45 PolarHBondContact O-NH1 3.25Å; G15-R45 VanDerWaalsContact O-NH1 3.1Å
16N95.7Very high94.5Very high119 Ų11963.8 Ų63.864%0.63637%0.37SS*.THydrogen-bonded Turntrans-81.2-18.7165.3-69.6-27.6000113.5N14 R45N14-N16 PolarHBondContact O-N 3.03Å; N14-N16 VanDerWaalsContact O-N 3.14Å; N14-N16 WeakPolarHBondContact OD1-CB 3.33Å; N14-N16 PolarHBondContact OD1-N 2.95Å; N16-R45 WeakPolarHBondContact OD1-CD 3.34Å; N16-R45 WeakPolarHBondContact OD1-CG 3.45Å
17V96.5Very high95.8Very high128 Ų12862.6 Ų62.678%0.77637%0.371SS*.THydrogen-bonded Turntrans-105.5-44.6-172.7-179.20000111.4N14N14-V17 HydrophobicContact CB-CG2 4.17Å; N14-V17 PolarHBondContact O-N 3.37Å
18A96.2Very high96.4Very high34 Ų3460.3 Ų60.328%0.28136%0.359SS..  trans-146.7138.617700000110.1N14 N20 F127N14-A18 PolarHBondContact O-N 3.24Å; A18-N20 VanDerWaalsContact C-N 3.35Å; A18-F127 WeakPolarHBondContact O-CD2 3.02Å
19A96Very high96.5Very high62 Ų6258.6 Ų58.651%0.51236%0.355SS..SBendtrans-77-21.9177.900000112.9F127A19-F127 PolarHBondContact O-N 3.34Å
20N97.4Very high96.5Very high99 Ų9963 Ų6353%0.52938%0.377SS..EExtended strand (participates in β ladder)trans-153.5174.6175.261.419.5000110.4A18 Y125 M126A18-N20 VanDerWaalsContact C-N 3.35Å; N20-Y125 WeakPolarHBondContact CA-O 3.45Å; N20-Y125 VanDerWaalsContact CB-O 3.29Å; N20-Y125 WeakPolarHBondContact CB-O 3.38Å; N20-Y125 PolarHBondContact O-OH 3.18Å; N20-M126 HydrophobicContact CB-CG 4.05Å
21G97.7Very high96.4Very high22 Ų2262.2 Ų62.223%0.22738%0.375CS..EExtended strand (participates in β ladder)trans169.6-174.1172.700000112.3I124 Y125G21-I124 CarbonylContact O-C 3.59Å; G21-I124 WeakPolarHBondContact O-CA 3.33Å; G21-Y125 VanDerWaalsContact C-CD1 3.49Å; G21-Y125 VanDerWaalsContact CA-CE1 3.44Å; G21-Y125 PolarHBondContact N-O 3.23Å; G21-Y125 VanDerWaalsContact N-O 3.09Å; G21-Y125 WeakPolarHBondContact O-CD1 3.42Å; G21-Y125 PolarHBondContact O-N 3.15Å
22T97.7Very high96.2Very high107 Ų10758 Ų5866%0.65636%0.358SS*.EExtended strand (participates in β ladder)trans-102.7154.9177.550.20000112.3G123 I124T22-G123 VanDerWaalsContact CA-O 3.3Å; T22-G123 WeakPolarHBondContact CA-O 3.42Å; T22-I124 HydrophobicContact CG2-CG1 4.23Å
23F97.7Very high96Very high5 Ų555.7 Ų55.72%0.02235%0.345CS..EExtended strand (participates in β ladder)trans-140.9151.2168.973.7-73.8000109.3Y13 F40 F42 I52 W54 F121 S122 G123 Y125Y13-F23 HydrophobicContact CE2-CB 4Å; Y13-F23 VanDerWaalsContact OH-CB 3.29Å; Y13-F23 WeakPolarHBondContact OH-CB 3.48Å; F23-F40 HydrophobicContact CB-CD1 4.33Å; F23-F40 HydrophobicContact CD2-CD1 4.32Å; F23-F40 HydrophobicContact CD2-CG 4.45Å; F23-F42 HydrophobicContact CB-CE1 4.39Å; F23-F42 HydrophobicContact CB-CZ 4.15Å; F23-F42 HydrophobicContact CD1-CE1 4.21Å; F23-F42 AromaticContact CD1-CZ 3.93Å; F23-F42 HydrophobicContact CD1-CZ 3.93Å; F23-F42 AromaticContact CD2-CZ 3.87Å; F23-F42 HydrophobicContact CD2-CZ 3.87Å; F23-F42 HydrophobicContact CE1-CZ 4.32Å; F23-F42 HydrophobicContact CE2-CZ 4.27Å; F23-F42 HydrophobicContact CG-CE1 4.23Å; F23-F42 AromaticContact CG-CZ 3.71Å; F23-F42 HydrophobicContact CG-CZ 3.71Å; F23-F42 HydrophobicContact CZ-CZ 4.49Å; F23-I52 HydrophobicContact CE1-CG2 3.72Å; F23-I52 HydrophobicContact CZ-CG2 3.58Å; F23-W54 HydrophobicContact CE2-CH2 4.06Å; F23-W54 AromaticContact CE2-CZ3 3.89Å; F23-W54 HydrophobicContact CE2-CZ3 3.89Å; F23-W54 HydrophobicContact CZ-CE3 4.25Å; F23-W54 HydrophobicContact CZ-CH2 4.01Å; F23-W54 AromaticContact CZ-CZ3 3.85Å; F23-W54 HydrophobicContact CZ-CZ3 3.85Å; F23-F121 HydrophobicContact CD2-CD2 4.38Å; F23-F121 AromaticContact CD2-CE2 3.8Å; F23-F121 HydrophobicContact CD2-CE2 3.8Å; F23-F121 HydrophobicContact CE2-CD2 4.02Å; F23-F121 AromaticContact CE2-CE2 3.64Å; F23-F121 HydrophobicContact CE2-CE2 3.64Å; F23-S122 CarbonylContact O-C 3.55Å; F23-S122 WeakPolarHBondContact O-CA 3.49Å; F23-G123 WeakPolarHBondContact CD1-O 3.43Å; F23-G123 VanDerWaalsContact CE1-C 3.43Å; F23-G123 PolarHBondContact N-O 3.04Å; F23-G123 PolarHBondContact O-N 2.96Å; F23-Y125 HydrophobicContact CD1-CD1 4.46Å
24A97.6Very high95.8Very high31 Ų3155.1 Ų55.126%0.25635%0.349SS..EExtended strand (participates in β ladder)trans-157.1163.4-178.800000111.6Y28 F40 F121A24-Y28 HydrophobicContact CB-CD1 4.12Å; A24-Y28 HydrophobicContact CB-CG 3.99Å; A24-F40 WeakPolarHBondContact O-CE1 3.29Å; A24-F40 VanDerWaalsContact O-CZ 3.23Å; A24-F40 WeakPolarHBondContact O-CZ 3.43Å; A24-F121 CarbonylContact C-O 3.52Å; A24-F121 WeakPolarHBondContact CA-O 3.47Å; A24-F121 VanDerWaalsContact CB-O 3.3Å; A24-F121 WeakPolarHBondContact CB-O 3.39Å
25T96.1Very high95.5Very high4 Ų455.2 Ų55.23%0.02535%0.35CS..  trans-60.5147.9167.439.60000111.8G27 Y28 F110 G120 F121T25-G27 PolarHBondContact O-N 2.79Å; T25-Y28 VanDerWaalsContact O-CB 3.32Å; T25-Y28 WeakPolarHBondContact O-CB 3.23Å; T25-Y28 PolarHBondContact O-N 3.16Å; T25-F110 HydrophobicContact CG2-CD1 4.02Å; T25-F110 HydrophobicContact CG2-CD2 4.25Å; T25-F110 HydrophobicContact CG2-CE1 3.96Å; T25-F110 HydrophobicContact CG2-CE2 4.2Å; T25-F110 HydrophobicContact CG2-CG 4.16Å; T25-F110 HydrophobicContact CG2-CZ 4.05Å; T25-G120 WeakPolarHBondContact OG1-CA 3.26Å; T25-F121 HydrophobicContact CG2-CD1 3.41Å; T25-F121 VanDerWaalsContact CG2-CD1 3.41Å; T25-F121 HydrophobicContact CG2-CD2 4.33Å; T25-F121 HydrophobicContact CG2-CE1 3.31Å; T25-F121 HydrophobicContact CG2-CE2 4.25Å; T25-F121 HydrophobicContact CG2-CG 3.93Å; T25-F121 HydrophobicContact CG2-CZ 3.77Å; T25-F121 PolarHBondContact N-O 3.17Å; T25-F121 PolarHBondContact OG1-N 3.02Å; T25-F121 PolarHBondContact OG1-O 3.4Å
26P95.1Very high95.3Very high29 Ų2955.1 Ų55.119%0.18835%0.348CS..THydrogen-bonded Turntrans-55.1133.6169.4-20.631.3000110.7Y32 P33 T36 C38P26-Y32 WeakPolarHBondContact O-CA 3.36Å; P26-P33 HydrophobicContact CB-CG 4.18Å; P26-P33 VanDerWaalsContact O-CD 3.28Å; P26-P33 WeakPolarHBondContact O-CD 3.43Å; P26-T36 HydrophobicContact CG-CG2 4.46Å; P26-C38 VanDerWaalsContact CD-SG 3.59Å; P26-C38 WeakPolarHBondContact CG-SG 3.47Å
27G93.2Very high95.4Very high43 Ų4355 Ų5544%0.44334%0.339SS..THydrogen-bonded Turntrans93-21.7-179.300000115.5T25 N30T25-G27 PolarHBondContact O-N 2.79Å; G27-N30 CarbonylContact C-O 3.55Å; G27-N30 WeakPolarHBondContact O-CA 3.35Å; G27-N30 VanDerWaalsContact O-CB 3.25Å; G27-N30 WeakPolarHBondContact O-CB 3.44Å; G27-N30 PolarHBondContact O-N 3.4Å; G27-N30 PolarHBondContact O-ND2 3.34Å
28Y95.7Very high95.4Very high78 Ų7848.9 Ų48.931%0.30630%0.302SS..THydrogen-bonded Turntrans-49.9133.4-178.3-178.2-83.1000111.7A24 T25 D56 Q119 S122A24-Y28 HydrophobicContact CB-CD1 4.12Å; A24-Y28 HydrophobicContact CB-CG 3.99Å; T25-Y28 VanDerWaalsContact O-CB 3.32Å; T25-Y28 WeakPolarHBondContact O-CB 3.23Å; T25-Y28 PolarHBondContact O-N 3.16Å; Y28-D56 HydrophobicContact CE2-CB 4.14Å; Y28-D56 WeakPolarHBondContact OH-CB 3.42Å; Y28-Q119 VanDerWaalsContact CD2-O 3.32Å; Y28-Q119 WeakPolarHBondContact CD2-O 3.39Å; Y28-S122 VanDerWaalsContact CZ-CB 3.48Å; Y28-S122 PolarHBondContact OH-OG 2.92Å
29P95.3Very high95.5Very high78 Ų7850.6 Ų50.651%0.50630%0.301SS..THydrogen-bonded Turncis-86.25.49.535.6-37.9000115.4
30N95Very high95.6Very high116 Ų11647.7 Ų47.762%0.6228%0.277SS*.SBendtrans-78.4169.8172.8-44.1-84.7000110.5G27 Y32G27-N30 CarbonylContact C-O 3.55Å; G27-N30 WeakPolarHBondContact O-CA 3.35Å; G27-N30 VanDerWaalsContact O-CB 3.25Å; G27-N30 WeakPolarHBondContact O-CB 3.44Å; G27-N30 PolarHBondContact O-N 3.4Å; G27-N30 PolarHBondContact O-ND2 3.34Å; N30-Y32 PolarHBondContact O-N 3.08Å
31S94Very high95.6Very high70 Ų7047.4 Ų47.449%0.4927%0.268SS..PPolyproline II helixtrans-58.1138.1179.1-66.10000113.2H117 F118S31-H117 WeakPolarHBondContact CB-O 3.44Å; S31-H117 PolarHBondContact OG-O 3.3Å; S31-F118 VanDerWaalsContact CA-O 3.23Å; S31-F118 WeakPolarHBondContact CA-O 3.44Å
32Y94.5Very high95.6Very high2 Ų246.3 Ų46.31%0.00826%0.257CS..PPolyproline II helixtrans-68155.2175.754.1-98.7000112.4P26 N30 L59 E60 D71 F110 K116 H117 F118 G120P26-Y32 WeakPolarHBondContact O-CA 3.36Å; N30-Y32 PolarHBondContact O-N 3.08Å; Y32-L59 HydrophobicContact CD1-CD2 4Å; Y32-L59 HydrophobicContact CE1-CD2 3.44Å; Y32-L59 VanDerWaalsContact CE1-CD2 3.44Å; Y32-E60 PolarHBondContact OH-N 3.5Å; Y32-D71 WeakPolarHBondContact CE2-OD2 3.18Å; Y32-D71 PolarHBondContact OH-OD2 3.06Å; Y32-F110 HydrophobicContact CD1-CZ 4.24Å; Y32-F110 HydrophobicContact CD2-CE1 4.44Å; Y32-F110 AromaticContact CD2-CZ 3.68Å; Y32-F110 HydrophobicContact CD2-CZ 3.68Å; Y32-F110 HydrophobicContact CE2-CZ 4.12Å; Y32-F110 HydrophobicContact CG-CE1 4.4Å; Y32-F110 AromaticContact CG-CZ 3.74Å; Y32-F110 HydrophobicContact CG-CZ 3.74Å; Y32-K116 PolarHBondContact OH-O 3.14Å; Y32-H117 HydrophobicContact CD2-CB 3.82Å; Y32-H117 AromaticContact CD2-CG 3.93Å; Y32-H117 AromaticContact CD2-ND1 3.98Å; Y32-H117 HydrophobicContact CE2-CB 3.69Å; Y32-H117 AromaticContact CE2-CG 3.79Å; Y32-H117 AromaticContact CE2-ND1 3.51Å; Y32-H117 HydrophobicContact CG-CB 4.32Å; Y32-H117 WeakPolarHBondContact O-CB 3.49Å; Y32-H117 PolarHBondContact O-CD2 2.86Å; Y32-H117 VanDerWaalsContact O-CD2 3.27Å; Y32-H117 VanDerWaalsContact O-CG 3.25Å; Y32-F118 WeakPolarHBondContact CD1-O 3.42Å; Y32-F118 HydrophobicContact CE1-CB 4.21Å; Y32-F118 VanDerWaalsContact CE1-N 3.33Å; Y32-F118 WeakPolarHBondContact CE1-O 3.24Å; Y32-F118 PolarHBondContact N-O 2.92Å; Y32-G120 VanDerWaalsContact CD1-CA 3.44Å
33P93.4Very high95.6Very high35 Ų3544.4 Ų44.423%0.22724%0.238CC..PPolyproline II helixtrans-73.1149.9177.425.6-32.5000114K7 P26 T36 S112K7-P33 HydrophobicContact CD-CB 4.49Å; P26-P33 HydrophobicContact CB-CG 4.18Å; P26-P33 VanDerWaalsContact O-CD 3.28Å; P26-P33 WeakPolarHBondContact O-CD 3.43Å; P33-T36 HydrophobicContact CG-CG2 4.07Å; P33-T36 WeakPolarHBondContact CG-OG1 3.45Å; P33-T36 PolarHBondContact O-OG1 3.42Å; P33-S112 PolarHBondContact O-OG 3.44Å
34A92.5Very high95.6Very high30 Ų3045 Ų4525%0.24825%0.245CC..THydrogen-bonded Turntrans-56.5155.6168.300000113.2T36 S113 H117A34-T36 PolarHBondContact O-N 2.87Å; A34-T36 PolarHBondContact O-OG1 3.3Å; A34-S113 WeakPolarHBondContact CA-O 3.28Å; A34-H117 VanDerWaalsContact CA-NE2 3.27Å; A34-H117 WeakPolarHBondContact CA-NE2 3.31Å; A34-H117 VanDerWaalsContact CB-NE2 3.26Å; A34-H117 WeakPolarHBondContact CB-NE2 3.37Å; A34-H117 PolarHBondContact N-NE2 3.33Å
35D91.7Very high95.5Very high64 Ų6447.4 Ų47.434%0.34225%0.247SC..THydrogen-bonded Turntrans46.839.8167.8-58.4-46.7000113.6T6 K7 S112 S113 F114T6-D35 CarbonylContact C-O 3.59Å; T6-D35 VanDerWaalsContact CA-O 3.29Å; T6-D35 WeakPolarHBondContact CA-O 3.32Å; K7-D35 PolarHBondContact N-O 3.05Å; D35-S112 PolarHBondContact N-OG 2.95Å; D35-S113 PolarHBondContact N-O 3.22Å; D35-F114 PolarHBondContact OD1-N 2.99Å
36T93.1Very high95.3Very high2 Ų251.9 Ų51.91%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-110.4136.4-170-65.90000110.3K7 C9 P26 P33 A34 F110 Q111 S112K7-T36 HydrophobicContact CB-CG2 4.28Å; K7-T36 WeakPolarHBondContact CB-OG1 3.27Å; K7-T36 WeakPolarHBondContact O-CA 3.29Å; K7-T36 WeakPolarHBondContact O-CG2 2.97Å; C9-T36 VanDerWaalsContact SG-CG2 3.57Å; P26-T36 HydrophobicContact CG-CG2 4.46Å; P33-T36 HydrophobicContact CG-CG2 4.07Å; P33-T36 WeakPolarHBondContact CG-OG1 3.45Å; P33-T36 PolarHBondContact O-OG1 3.42Å; A34-T36 PolarHBondContact O-N 2.87Å; A34-T36 PolarHBondContact O-OG1 3.3Å; T36-F110 HydrophobicContact CG2-CE1 4.44Å; T36-Q111 WeakPolarHBondContact O-CA 3.49Å; T36-Q111 PolarHBondContact O-NE2 2.76Å; T36-S112 WeakPolarHBondContact CB-OG 3.44Å; T36-S112 PolarHBondContact N-OG 2.82Å; T36-S112 PolarHBondContact O-N 3.13Å; T36-S112 PolarHBondContact O-OG 2.89Å
37R95.9Very high95.1Very high115 Ų11553.1 Ų53.143%0.43428%0.282SS..EExtended strand (participates in β ladder)trans-128.597.4178.8-170177-169.8162.46.7110.8K7 D8 C9 F110 Q111K7-R37 PolarHBondContact O-N 2.87Å; D8-R37 WeakPolarHBondContact CA-O 3.01Å; C9-R37 PolarHBondContact N-O 3.47Å; C9-R37 PolarHBondContact SG-O 2.92Å; C9-R37 VanDerWaalsContact SG-O 3.4Å; R37-F110 CarbonylContact C-O 3.54Å; R37-F110 WeakPolarHBondContact CA-O 3.37Å; R37-Q111 VanDerWaalsContact CD-OE1 3.27Å
38C97.3Very high95.2Very high0 Ų051.3 Ų51.30%026%0.262CS..EExtended strand (participates in β ladder)trans-98.2138.6177.4-61.60000112.2C9 Y11 P26 F40 I109 F110C9-C38 HydrophobicContact CB-CB 3.88Å; C9-C38 WeakPolarHBondContact CB-SG 3.17Å; C9-C38 CarbonylContact O-C 3.57Å; C9-C38 VanDerWaalsContact O-CA 3.29Å; C9-C38 WeakPolarHBondContact O-CA 3.07Å; C9-C38 WeakPolarHBondContact SG-CA 3.18Å; C9-C38 WeakPolarHBondContact SG-CB 3.32Å; C9-C38 PolarHBondContact SG-N 3.23Å; C9-C38 VanDerWaalsContact SG-N 3.4Å; C9-C38 CovalentContact SG-SG 2.04Å; C9-C38 PolarHBondContact SG-SG 3.29Å; Y11-C38 HydrophobicContact CE2-CB 4.31Å; P26-C38 VanDerWaalsContact CD-SG 3.59Å; P26-C38 WeakPolarHBondContact CG-SG 3.47Å; C38-F40 HydrophobicContact CB-CD2 4.3Å; C38-F40 HydrophobicContact CB-CE2 3.52Å; C38-F40 HydrophobicContact CB-CZ 3.84Å; C38-I109 WeakPolarHBondContact O-CA 3.16Å; C38-F110 HydrophobicContact CB-CB 4.25Å; C38-F110 HydrophobicContact CB-CD1 4.33Å; C38-F110 PolarHBondContact N-O 3.11Å; C38-F110 PolarHBondContact O-N 2.84Å
39R98Very high95.2Very high71 Ų7147.6 Ų47.627%0.26825%0.247SC..EExtended strand (participates in β ladder)trans-119110.6172.2-168.6174.8-160.1132.510109.8C9 V10 Y11 R41 D107 I109C9-R39 PolarHBondContact O-N 3Å; V10-R39 WeakPolarHBondContact CA-O 3.19Å; Y11-R39 PolarHBondContact N-O 3.03Å; R39-R41 HydrophobicContact CG-CG 4.25Å; R39-D107 IonicContact CZ-OD2 3.3Å; R39-D107 VanDerWaalsContact CZ-OD2 3.3Å; R39-D107 IonicContact NE-OD2 2.7Å; R39-D107 PolarHBondContact NE-OD2 3.07Å; R39-D107 IonicContact NH2-OD2 3.03Å; R39-D107 PolarHBondContact NH2-OD2 2.8Å; R39-I109 HydrophobicContact CG-CG1 4.34Å
40F98.2Very high95.2Very high1 Ų143.9 Ų43.90%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-95.6112.6175.5-53.2-98.1000108Y11 Y13 F23 A24 C38 F42 D107 V108 F110 F121Y11-F40 AromaticContact CD2-CD1 3.52Å; Y11-F40 HydrophobicContact CD2-CD1 3.52Å; Y11-F40 AromaticContact CD2-CE1 3.26Å; Y11-F40 HydrophobicContact CD2-CE1 3.26Å; Y11-F40 HydrophobicContact CD2-CG 4.28Å; Y11-F40 AromaticContact CD2-CZ 3.84Å; Y11-F40 HydrophobicContact CD2-CZ 3.84Å; Y11-F40 HydrophobicContact CE2-CD1 4.41Å; Y11-F40 AromaticContact CE2-CE1 3.71Å; Y11-F40 HydrophobicContact CE2-CE1 3.71Å; Y11-F40 AromaticContact CE2-CZ 3.99Å; Y11-F40 HydrophobicContact CE2-CZ 3.99Å; Y11-F40 AromaticContact CG-CD1 3.89Å; Y11-F40 HydrophobicContact CG-CD1 3.89Å; Y11-F40 AromaticContact CG-CE1 3.92Å; Y11-F40 HydrophobicContact CG-CE1 3.92Å; Y11-F40 WeakPolarHBondContact O-CA 3.44Å; Y13-F40 HydrophobicContact CE2-CB 4.28Å; Y13-F40 HydrophobicContact CE2-CD1 4.12Å; F23-F40 HydrophobicContact CB-CD1 4.33Å; F23-F40 HydrophobicContact CD2-CD1 4.32Å; F23-F40 HydrophobicContact CD2-CG 4.45Å; A24-F40 WeakPolarHBondContact O-CE1 3.29Å; A24-F40 VanDerWaalsContact O-CZ 3.23Å; A24-F40 WeakPolarHBondContact O-CZ 3.43Å; C38-F40 HydrophobicContact CB-CD2 4.3Å; C38-F40 HydrophobicContact CB-CE2 3.52Å; C38-F40 HydrophobicContact CB-CZ 3.84Å; F40-F42 HydrophobicContact CB-CE2 3.77Å; F40-F42 HydrophobicContact CB-CZ 3.93Å; F40-D107 WeakPolarHBondContact O-CA 3.36Å; F40-V108 HydrophobicContact CB-CB 4.28Å; F40-V108 PolarHBondContact N-O 3.35Å; F40-V108 PolarHBondContact O-N 2.97Å; F40-F110 HydrophobicContact CE2-CB 4.14Å; F40-F121 HydrophobicContact CD2-CZ 4.32Å; F40-F121 HydrophobicContact CE2-CE2 4.23Å; F40-F121 AromaticContact CE2-CZ 3.7Å; F40-F121 HydrophobicContact CE2-CZ 3.7Å; F40-F121 HydrophobicContact CZ-CE2 4.36Å; F40-F121 HydrophobicContact CZ-CZ 4.15Å
41R98.1Very high95.3Very high92 Ų9241.3 Ų41.335%0.34721%0.205SC..EExtended strand (participates in β ladder)trans-101.7117.9-178.6-58.8-174.2166.5140.2-5.2109.7Y11 T12 Y13 R39 D107Y11-R41 PolarHBondContact O-N 3.43Å; T12-R41 WeakPolarHBondContact CA-O 3.34Å; T12-R41 HydrophobicContact CG2-CB 4.26Å; Y13-R41 PolarHBondContact N-O 3.48Å; R39-R41 HydrophobicContact CG-CG 4.25Å; R41-D107 WeakPolarHBondContact CG-OD1 3.39Å
42F98.3Very high95.4Very high0 Ų038 Ų380%018%0.182CC..EExtended strand (participates in β ladder)trans-105.1115.6175.9-56.5-84000108.8Y13 F23 F40 V50 I52 S105 V106 V108 Y125 F127Y13-F42 AromaticContact CD2-CD1 3.55Å; Y13-F42 HydrophobicContact CD2-CD1 3.55Å; Y13-F42 AromaticContact CD2-CE1 3.25Å; Y13-F42 HydrophobicContact CD2-CE1 3.25Å; Y13-F42 HydrophobicContact CD2-CG 4.39Å; Y13-F42 AromaticContact CD2-CZ 3.9Å; Y13-F42 HydrophobicContact CD2-CZ 3.9Å; Y13-F42 HydrophobicContact CE2-CD1 4.37Å; Y13-F42 AromaticContact CE2-CE1 3.63Å; Y13-F42 HydrophobicContact CE2-CE1 3.63Å; Y13-F42 AromaticContact CE2-CZ 3.92Å; Y13-F42 HydrophobicContact CE2-CZ 3.92Å; Y13-F42 AromaticContact CG-CD1 3.99Å; Y13-F42 HydrophobicContact CG-CD1 3.99Å; Y13-F42 AromaticContact CG-CE1 3.91Å; Y13-F42 HydrophobicContact CG-CE1 3.91Å; F23-F42 HydrophobicContact CB-CE1 4.39Å; F23-F42 HydrophobicContact CB-CZ 4.15Å; F23-F42 HydrophobicContact CD1-CE1 4.21Å; F23-F42 AromaticContact CD1-CZ 3.93Å; F23-F42 HydrophobicContact CD1-CZ 3.93Å; F23-F42 AromaticContact CD2-CZ 3.87Å; F23-F42 HydrophobicContact CD2-CZ 3.87Å; F23-F42 HydrophobicContact CE1-CZ 4.32Å; F23-F42 HydrophobicContact CE2-CZ 4.27Å; F23-F42 HydrophobicContact CG-CE1 4.23Å; F23-F42 AromaticContact CG-CZ 3.71Å; F23-F42 HydrophobicContact CG-CZ 3.71Å; F23-F42 HydrophobicContact CZ-CZ 4.49Å; F40-F42 HydrophobicContact CB-CE2 3.77Å; F40-F42 HydrophobicContact CB-CZ 3.93Å; F42-V50 HydrophobicContact CB-CG1 3.62Å; F42-V50 HydrophobicContact CB-CG2 4.38Å; F42-V50 HydrophobicContact CG-CG1 4.28Å; F42-I52 HydrophobicContact CD2-CD1 3.73Å; F42-I52 HydrophobicContact CE2-CD1 3.78Å; F42-I52 HydrophobicContact CG-CD1 4.3Å; F42-I52 HydrophobicContact CZ-CD1 4.38Å; F42-S105 WeakPolarHBondContact O-CA 3.49Å; F42-V106 PolarHBondContact N-O 2.9Å; F42-V106 PolarHBondContact O-N 2.78Å; F42-V108 HydrophobicContact CD2-CG2 4.29Å; F42-V108 HydrophobicContact CE2-CB 4.16Å; F42-V108 HydrophobicContact CE2-CG2 3.74Å; F42-Y125 HydrophobicContact CD1-CD1 4.13Å; F42-Y125 HydrophobicContact CD1-CD2 4.14Å; F42-Y125 AromaticContact CD1-CG 3.69Å; F42-Y125 HydrophobicContact CD1-CG 3.69Å; F42-Y125 AromaticContact CE1-CD1 3.65Å; F42-Y125 HydrophobicContact CE1-CD1 3.65Å; F42-Y125 HydrophobicContact CE1-CD2 4.47Å; F42-Y125 AromaticContact CE1-CG 3.63Å; F42-Y125 HydrophobicContact CE1-CG 3.63Å; F42-F127 HydrophobicContact CB-CE1 3.97Å; F42-F127 HydrophobicContact CB-CZ 4.04Å
43R97.3Very high95.5Very high67 Ų6740.1 Ų40.125%0.25320%0.195SC..EExtended strand (participates in β ladder)trans-127.299-172.8-56.8-60.4170.41502.1110.4Y13 N14 G15 S105 D107 F127Y13-R43 PolarHBondContact O-N 3.21Å; N14-R43 CarbonylContact C-O 3.57Å; N14-R43 WeakPolarHBondContact CA-O 3.26Å; G15-R43 PolarHBondContact N-O 3.46Å; R43-S105 WeakPolarHBondContact CD-OG 3.47Å; R43-S105 PolarHBondContact NH1-OG 3.39Å; R43-D107 IonicContact CZ-OD1 3.55Å; R43-D107 IonicContact NE-OD1 3.7Å; R43-D107 IonicContact NH2-OD1 2.7Å; R43-D107 PolarHBondContact NH2-OD1 2.63Å; R43-D107 IonicContact NH2-OD2 3.76Å; R43-F127 VanDerWaalsContact C-CE1 3.45Å
44G96.5Very high95.6Very high16 Ų1639.1 Ų39.117%0.16519%0.186CC..  trans-74.5166.6173.100000111.7Q104 F127G44-Q104 PolarHBondContact N-O 3.44Å; G44-F127 VanDerWaalsContact N-CE1 3.34Å
45R95.4Very high95.8Very high82 Ų8240.1 Ų40.131%0.30919%0.192SC..  trans-66.8166.3163.8-63.4-171.3-47.5-101.23111.2G15 N16 D47 Q48G15-R45 PolarHBondContact O-NH1 3.25Å; G15-R45 VanDerWaalsContact O-NH1 3.1Å; N16-R45 WeakPolarHBondContact OD1-CD 3.34Å; N16-R45 WeakPolarHBondContact OD1-CG 3.45Å; R45-D47 WeakPolarHBondContact CB-OD1 3.37Å; R45-D47 IonicContact CZ-OD1 3.33Å; R45-D47 IonicContact CZ-OD2 3.17Å; R45-D47 IonicContact NE-OD1 3.93Å; R45-D47 PolarHBondContact NE-OD1 2.82Å; R45-D47 IonicContact NE-OD2 2.69Å; R45-D47 IonicContact NH2-OD1 3.24Å; R45-D47 IonicContact NH2-OD2 2.83Å; R45-D47 PolarHBondContact NH2-OD2 3.47Å; R45-D47 PolarHBondContact O-N 2.99Å; R45-D47 VanDerWaalsContact O-N 3.14Å; R45-Q48 HydrophobicContact CB-CB 4.49Å; R45-Q48 HydrophobicContact CB-CG 4.21Å; R45-Q48 VanDerWaalsContact CG-OE1 3.32Å; R45-Q48 VanDerWaalsContact CZ-CD 3.45Å; R45-Q48 PolarHBondContact O-N 3.46Å
46P91.7Very high96Very high98 Ų9839 Ų3964%0.63619%0.186SC*.THydrogen-bonded Turntrans-57.2-29.3177.9-25.835.9000114.4Q48 R80P46-Q48 VanDerWaalsContact C-N 3.35Å; P46-R80 PolarHBondContact O-NH1 3.05Å; P46-R80 PolarHBondContact O-NH2 3.06Å
47D91.6Very high96.2Very high56 Ų5639.1 Ų39.130%0.29919%0.186SC..THydrogen-bonded Turntrans-84-0.4176.767.9-64.1000114.4R45 N129 E130R45-D47 WeakPolarHBondContact CB-OD1 3.37Å; R45-D47 IonicContact CZ-OD1 3.33Å; R45-D47 IonicContact CZ-OD2 3.17Å; R45-D47 IonicContact NE-OD1 3.93Å; R45-D47 PolarHBondContact NE-OD1 2.82Å; R45-D47 IonicContact NE-OD2 2.69Å; R45-D47 IonicContact NH2-OD1 3.24Å; R45-D47 IonicContact NH2-OD2 2.83Å; R45-D47 PolarHBondContact NH2-OD2 3.47Å; R45-D47 PolarHBondContact O-N 2.99Å; R45-D47 VanDerWaalsContact O-N 3.14Å; D47-N129 PolarHBondContact OD2-ND2 3.31Å; D47-E130 PolarHBondContact O-N 3.08Å
48Q95.3Very high96.2Very high5 Ų536.2 Ų36.22%0.02318%0.177CC..EExtended strand (participates in β ladder)trans-116.5154.7-174.1-70.2177-50.400113.4R45 P46 F127 I128R45-Q48 HydrophobicContact CB-CB 4.49Å; R45-Q48 HydrophobicContact CB-CG 4.21Å; R45-Q48 VanDerWaalsContact CG-OE1 3.32Å; R45-Q48 VanDerWaalsContact CZ-CD 3.45Å; R45-Q48 PolarHBondContact O-N 3.46Å; P46-Q48 VanDerWaalsContact C-N 3.35Å; Q48-F127 HydrophobicContact CB-CB 4.38Å; Q48-F127 HydrophobicContact CG-CB 4.47Å; Q48-F127 PolarHBondContact NE2-O 3.01Å; Q48-I128 CarbonylContact C-O 3.6Å; Q48-I128 WeakPolarHBondContact CA-O 3.1Å
49V95.2Very high96Very high0 Ų036.3 Ų36.30%018%0.178CC..EExtended strand (participates in β ladder)trans-117.6151.2171.4-55.30000110.9M102 F127 I128 E130 V133V49-M102 HydrophobicContact CG1-CE 3.55Å; V49-M102 HydrophobicContact CG1-SD 4.17Å; V49-F127 WeakPolarHBondContact O-CA 3.15Å; V49-I128 HydrophobicContact CG2-CB 4.25Å; V49-I128 PolarHBondContact N-O 3.17Å; V49-I128 PolarHBondContact O-N 2.99Å; V49-I128 VanDerWaalsContact O-N 3.08Å; V49-E130 HydrophobicContact CG1-CB 4.44Å; V49-V133 HydrophobicContact CG2-CG2 3.62Å
50V96.8Very high95.8Very high0 Ų034 Ų340%017%0.17CC..EExtended strand (participates in β ladder)trans-95.1118.7-179.9-172.40000110.8F42 I52 T101 Q103 V106 F127F42-V50 HydrophobicContact CB-CG1 3.62Å; F42-V50 HydrophobicContact CB-CG2 4.38Å; F42-V50 HydrophobicContact CG-CG1 4.28Å; V50-I52 HydrophobicContact CG1-CD1 4.37Å; V50-I52 HydrophobicContact CG1-CG1 4.15Å; V50-T101 HydrophobicContact CB-CG2 4.25Å; V50-T101 WeakPolarHBondContact O-CG2 3.45Å; V50-T101 PolarHBondContact O-N 3.13Å; V50-Q103 PolarHBondContact N-O 3.38Å; V50-V106 HydrophobicContact CB-CG2 3.82Å; V50-V106 HydrophobicContact CG1-CB 4.18Å; V50-V106 HydrophobicContact CG1-CG2 3.89Å; V50-V106 HydrophobicContact CG2-CG2 4.33Å; V50-F127 HydrophobicContact CG1-CE1 4.35Å; V50-F127 HydrophobicContact CG2-CD1 3.97Å; V50-F127 HydrophobicContact CG2-CE1 3.82Å
51W96Very high95.2Very high62 Ų6235.5 Ų35.524%0.23519%0.186CC..EExtended strand (participates in β ladder)trans-111.2136.5168.7-74.617.1000110.5F99 K100 T101 Y125 M126 I128 V133W51-F99 CarbonylContact C-O 3.41Å; W51-F99 VanDerWaalsContact CA-O 3.31Å; W51-F99 WeakPolarHBondContact CA-O 3.25Å; W51-K100 HydrophobicContact CB-CG 4.46Å; W51-K100 HydrophobicContact CD2-CB 3.93Å; W51-K100 HydrophobicContact CD2-CD 4.16Å; W51-K100 HydrophobicContact CD2-CG 3.66Å; W51-K100 HydrophobicContact CE3-CD 3.94Å; W51-K100 HydrophobicContact CE3-CG 3.92Å; W51-K100 HydrophobicContact CG-CB 4.09Å; W51-K100 HydrophobicContact CG-CG 3.93Å; W51-K100 HydrophobicContact CH2-CD 4.35Å; W51-K100 HydrophobicContact CZ2-CB 4.26Å; W51-K100 HydrophobicContact CZ3-CD 4.05Å; W51-K100 HydrophobicContact CZ3-CG 4.46Å; W51-T101 PolarHBondContact NE1-O 3.08Å; W51-Y125 CarbonylContact O-C 3.59Å; W51-Y125 WeakPolarHBondContact O-CA 3.14Å; W51-M126 HydrophobicContact CB-CB 4.4Å; W51-M126 PolarHBondContact N-O 3.37Å; W51-M126 PolarHBondContact O-N 2.03Å; W51-I128 HydrophobicContact CB-CD1 4.28Å; W51-I128 HydrophobicContact CD2-CD1 3.51Å; W51-I128 HydrophobicContact CE3-CD1 3.34Å; W51-I128 HydrophobicContact CG-CD1 3.94Å; W51-I128 HydrophobicContact CH2-CD1 4.44Å; W51-I128 HydrophobicContact CZ3-CD1 3.84Å; W51-V133 HydrophobicContact CZ2-CG1 4.11Å; W51-V133 HydrophobicContact CZ2-CG2 4.46Å
52I96.3Very high94.6Very high0 Ų034.9 Ų34.90%019%0.194CC..EExtended strand (participates in β ladder)trans-128.1129.4179.4-61.7176.5000109.6F23 F42 V50 W54 D98 F99 V106 V108 I124F23-I52 HydrophobicContact CE1-CG2 3.72Å; F23-I52 HydrophobicContact CZ-CG2 3.58Å; F42-I52 HydrophobicContact CD2-CD1 3.73Å; F42-I52 HydrophobicContact CE2-CD1 3.78Å; F42-I52 HydrophobicContact CG-CD1 4.3Å; F42-I52 HydrophobicContact CZ-CD1 4.38Å; V50-I52 HydrophobicContact CG1-CD1 4.37Å; V50-I52 HydrophobicContact CG1-CG1 4.15Å; I52-W54 HydrophobicContact CG2-CZ2 4.14Å; I52-D98 CarbonylContact O-C 3.58Å; I52-D98 WeakPolarHBondContact O-CA 3.39Å; I52-F99 HydrophobicContact CB-CB 4.3Å; I52-F99 PolarHBondContact N-O 3.18Å; I52-F99 PolarHBondContact O-N 2.96Å; I52-V106 HydrophobicContact CD1-CB 4.37Å; I52-V106 HydrophobicContact CD1-CG1 3.95Å; I52-V108 HydrophobicContact CD1-CG2 3.89Å; I52-I124 WeakPolarHBondContact CA-O 3.29Å
53V96.1Very high93.6Very high47 Ų4738.6 Ų38.629%0.28521%0.213SC..EExtended strand (participates in β ladder)trans-122.8132.6179.3176.70000109.3G123 I124V53-G123 CarbonylContact O-C 3.51Å; V53-G123 WeakPolarHBondContact O-CA 3.15Å; V53-I124 PolarHBondContact N-O 2.57Å; V53-I124 PolarHBondContact O-N 3.46Å
54W96.1Very high92.4Very high13 Ų1340.3 Ų40.35%0.04923%0.233CC..EExtended strand (participates in β ladder)trans-92112.1-175.1-59.392.9000111.8F23 I52 F57 V73 V75 K95 P96 P97 F99 V108 F121F23-W54 HydrophobicContact CE2-CH2 4.06Å; F23-W54 AromaticContact CE2-CZ3 3.89Å; F23-W54 HydrophobicContact CE2-CZ3 3.89Å; F23-W54 HydrophobicContact CZ-CE3 4.25Å; F23-W54 HydrophobicContact CZ-CH2 4.01Å; F23-W54 AromaticContact CZ-CZ3 3.85Å; F23-W54 HydrophobicContact CZ-CZ3 3.85Å; I52-W54 HydrophobicContact CG2-CZ2 4.14Å; W54-F57 HydrophobicContact CE3-CD2 4.19Å; W54-F57 HydrophobicContact CZ3-CD2 4.41Å; W54-V73 HydrophobicContact CH2-CG1 3.85Å; W54-V73 HydrophobicContact CZ2-CG1 4.45Å; W54-V75 HydrophobicContact CZ2-CG2 4.13Å; W54-K95 HydrophobicContact CB-CB 4.25Å; W54-P96 HydrophobicContact CD2-CB 4.38Å; W54-P96 HydrophobicContact CD2-CG 3.94Å; W54-P96 HydrophobicContact CE3-CG 4.41Å; W54-P96 HydrophobicContact CG-CB 4.38Å; W54-P96 HydrophobicContact CG-CG 4.24Å; W54-P96 HydrophobicContact CZ2-CB 4.5Å; W54-P96 HydrophobicContact CZ2-CG 4.21Å; W54-P97 VanDerWaalsContact CD1-O 3.26Å; W54-P97 PolarHBondContact NE1-O 3.43Å; W54-P97 VanDerWaalsContact NE1-O 3.11Å; W54-F99 AromaticContact CE2-CE2 3.9Å; W54-F99 HydrophobicContact CZ2-CD2 4.08Å; W54-F99 AromaticContact CZ2-CE2 3.84Å; W54-F99 HydrophobicContact CZ2-CE2 3.84Å; W54-F99 AromaticContact NE1-CD2 3.45Å; W54-F99 AromaticContact NE1-CE2 3.37Å; W54-V108 HydrophobicContact CH2-CG1 4.09Å; W54-F121 HydrophobicContact CE3-CB 4.45Å; W54-F121 HydrophobicContact CE3-CD2 4.47Å; W54-F121 HydrophobicContact CZ3-CB 4.33Å; W54-F121 AromaticContact CZ3-CD2 3.79Å; W54-F121 HydrophobicContact CZ3-CD2 3.79Å; W54-F121 HydrophobicContact CZ3-CE2 4.25Å; W54-F121 AromaticContact CZ3-CG 3.98Å; W54-F121 HydrophobicContact CZ3-CG 3.98Å
55S96.6Very high91.1Very high52 Ų5250.9 Ų50.936%0.36427%0.27SS..EExtended strand (participates in β ladder)trans-79.5-43.2179.7-59.10000111.5K95 S122S55-K95 PolarHBondContact O-NZ 2.99Å; S55-S122 WeakPolarHBondContact CA-O 3.45Å; S55-S122 WeakPolarHBondContact CB-O 3.46Å; S55-S122 PolarHBondContact N-O 2.87Å
56D96.7Very high89.7Confident41 Ų4150.6 Ų50.622%0.21927%0.272CS..EExtended strand (participates in β ladder)trans-148.7154.2173.3-167.928.5000112.1Y28 F121 S122Y28-D56 HydrophobicContact CE2-CB 4.14Å; Y28-D56 WeakPolarHBondContact OH-CB 3.42Å; D56-F121 VanDerWaalsContact O-CA 3.26Å; D56-F121 WeakPolarHBondContact O-CA 3.39Å; D56-F121 VanDerWaalsContact O-CB 3.32Å; D56-F121 WeakPolarHBondContact O-CB 3.33Å; D56-S122 PolarHBondContact N-O 3.08Å; D56-S122 PolarHBondContact N-OG 3.43Å; D56-S122 PolarHBondContact O-N 2.83Å
57F96.5Very high89.1Confident3 Ų356.8 Ų56.81%0.01328%0.283CS..EExtended strand (participates in β ladder)trans-159.2113.5-178-166.6-88.4000112.5W54 L59 V73 G92 S93 R94 K95 P96 G120 F121W54-F57 HydrophobicContact CE3-CD2 4.19Å; W54-F57 HydrophobicContact CZ3-CD2 4.41Å; F57-L59 HydrophobicContact CE1-CG 4.32Å; F57-L59 HydrophobicContact CE2-CD1 4.42Å; F57-L59 HydrophobicContact CZ-CD1 3.94Å; F57-L59 HydrophobicContact CZ-CG 4.07Å; F57-V73 HydrophobicContact CE2-CB 4.04Å; F57-V73 HydrophobicContact CE2-CG2 3.79Å; F57-V73 HydrophobicContact CZ-CB 4.37Å; F57-V73 HydrophobicContact CZ-CG2 4.38Å; F57-G92 VanDerWaalsContact CD1-O 3.25Å; F57-G92 WeakPolarHBondContact CD1-O 3.36Å; F57-G92 VanDerWaalsContact CE1-O 3.29Å; F57-G92 WeakPolarHBondContact CE1-O 3.02Å; F57-S93 CarbonylContact O-C 3.51Å; F57-S93 WeakPolarHBondContact O-CA 3.31Å; F57-R94 WeakPolarHBondContact CD1-O 3.35Å; F57-K95 HydrophobicContact CB-CB 4.2Å; F57-K95 HydrophobicContact CB-CG 3.86Å; F57-P96 HydrophobicContact CD2-CG 3.95Å; F57-P96 HydrophobicContact CE2-CG 3.8Å; F57-P96 HydrophobicContact CZ-CG 4.25Å; F57-G120 CarbonylContact C-O 3.56Å; F57-F121 HydrophobicContact CD2-CB 3.7Å; F57-F121 HydrophobicContact CD2-CG 4.41Å; F57-F121 HydrophobicContact CE2-CB 4.37Å; F57-F121 HydrophobicContact CE2-CD1 4.39Å; F57-F121 HydrophobicContact CG-CB 4.44Å
58H95.3Very high89Confident55 Ų5555 Ų5526%0.25528%0.275SS..EExtended strand (participates in β ladder)trans-149.297.5175-163.8173.8000109.8G92 F118 G120H58-G92 WeakPolarHBondContact CA-O 3Å; H58-F118 HydrophobicContact CB-CB 4.31Å; H58-F118 AromaticContact CD2-CD1 3.83Å; H58-F118 AromaticContact CD2-CG 3.81Å; H58-F118 AromaticContact CE1-CD1 3.64Å; H58-F118 AromaticContact NE2-CD1 3.33Å; H58-F118 VanDerWaalsContact NE2-CD1 3.33Å; H58-F118 WeakPolarHBondContact NE2-CD1 3.13Å; H58-F118 AromaticContact NE2-CE1 3.91Å; H58-F118 AromaticContact NE2-CG 3.82Å; H58-F118 VanDerWaalsContact O-CB 3.24Å; H58-F118 WeakPolarHBondContact O-CB 3.2Å; H58-G120 CarbonylContact C-O 3.59Å; H58-G120 PolarHBondContact N-O 3.43Å; H58-G120 WeakPolarHBondContact O-CA 3.48Å; H58-G120 PolarHBondContact O-N 3.43Å
59L94.7Very high88.5Confident1 Ų159.6 Ų59.61%0.00530%0.299CS..  trans-108.5173.7167.9-60.4-170.8000110.6Y32 F57 G61 D71 V73 G92 F110Y32-L59 HydrophobicContact CD1-CD2 4Å; Y32-L59 HydrophobicContact CE1-CD2 3.44Å; Y32-L59 VanDerWaalsContact CE1-CD2 3.44Å; F57-L59 HydrophobicContact CE1-CG 4.32Å; F57-L59 HydrophobicContact CE2-CD1 4.42Å; F57-L59 HydrophobicContact CZ-CD1 3.94Å; F57-L59 HydrophobicContact CZ-CG 4.07Å; L59-G61 PolarHBondContact O-N 3.17Å; L59-D71 HydrophobicContact CB-CB 4.42Å; L59-V73 HydrophobicContact CD1-CG2 4.18Å; L59-G92 PolarHBondContact N-O 3.33Å; L59-G92 CarbonylContact O-C 3.56Å; L59-G92 WeakPolarHBondContact O-CA 3.11Å; L59-G92 PolarHBondContact O-N 3.03Å; L59-F110 HydrophobicContact CD1-CD2 4.27Å; L59-F110 HydrophobicContact CD1-CE2 4.04Å; L59-F110 HydrophobicContact CD2-CD2 4.42Å; L59-F110 HydrophobicContact CD2-CE2 3.65Å; L59-F110 HydrophobicContact CD2-CZ 4.37Å
60E92.4Very high88.2Confident22 Ų2262.5 Ų62.510%0.10331%0.312CS..PPolyproline II helixtrans-54.1138.6167.7-170166.9-125.800110.7Y32 D71 C91 G92 S115 F118Y32-E60 PolarHBondContact OH-N 3.5Å; E60-D71 HydrophobicContact CB-CB 4.02Å; E60-C91 WeakPolarHBondContact O-CB 3.46Å; E60-G92 PolarHBondContact O-N 2.84Å; E60-S115 VanDerWaalsContact CD-OG 3.24Å; E60-S115 WeakPolarHBondContact OE2-CB 3.17Å; E60-S115 PolarHBondContact OE2-OG 2.94Å; E60-F118 HydrophobicContact CB-CD2 4.29Å; E60-F118 HydrophobicContact CB-CE2 3.98Å; E60-F118 HydrophobicContact CG-CE2 4.24Å
61G85.9Confident88Confident34 Ų3462.6 Ų62.635%0.35131%0.313SS..PPolyproline II helixtrans-71162.5-178.500000112.9L59 L63L59-G61 PolarHBondContact O-N 3.17Å; G61-L63 PolarHBondContact O-N 3.4Å; G61-L63 VanDerWaalsContact O-N 3.16Å
62P85.1Confident88Confident79 Ų7961 Ų6151%0.51331%0.307SS..PPolyproline II helixtrans-62.9119.9168.228.2-31.6000108.7Q66 C91P62-Q66 VanDerWaalsContact CB-O 3.28Å; P62-Q66 WeakPolarHBondContact CB-O 3.41Å; P62-C91 VanDerWaalsContact CD-SG 3.59Å
63L77.1Confident88Confident77 Ų7761 Ų6140%0.40331%0.307SS..PPolyproline II helixtrans-61154.8169.2-61.8-172.2000109.5G61 Y65 Q66 H70G61-L63 PolarHBondContact O-N 3.4Å; G61-L63 VanDerWaalsContact O-N 3.16Å; L63-Y65 PolarHBondContact O-N 2.92Å; L63-Q66 HydrophobicContact CB-CB 4.22Å; L63-Q66 PolarHBondContact O-N 2.85Å; L63-H70 WeakPolarHBondContact CD1-NE2 3.23Å
64P73.1Confident87.9Confident103 Ų10359.8 Ų59.867%0.66930%0.298SS*.THydrogen-bonded Turntrans-46.2130.1171.9-29.436.3000111.4Q66P64-Q66 PolarHBondContact O-N 2.98Å; P64-Q66 VanDerWaalsContact O-N 3.17Å
65Y68.4Low87.9Confident239 Ų23959.1 Ų59.194%0.93730%0.296SS*.THydrogen-bonded Turntrans66.4-0.5-177-40.6-76.6000116.9L63L63-Y65 PolarHBondContact O-N 2.92Å
66Q66.1Low87.8Confident76 Ų7657.1 Ų57.136%0.35528%0.281SS..  trans-117.2109.4-176.6-62.7-174.8-300112.7P62 L63 P64 C68 L69 H70P62-Q66 VanDerWaalsContact CB-O 3.28Å; P62-Q66 WeakPolarHBondContact CB-O 3.41Å; L63-Q66 HydrophobicContact CB-CB 4.22Å; L63-Q66 PolarHBondContact O-N 2.85Å; P64-Q66 PolarHBondContact O-N 2.98Å; P64-Q66 VanDerWaalsContact O-N 3.17Å; Q66-C68 PolarHBondContact O-N 3.47Å; Q66-C68 VanDerWaalsContact O-N 3.08Å; Q66-L69 HydrophobicContact CB-CD1 4.06Å; Q66-L69 HydrophobicContact CB-CG 4.4Å; Q66-L69 HydrophobicContact CG-CD1 4.33Å; Q66-H70 PolarHBondContact OE1-NE2 3.03Å
67R80.3Confident87.7Confident227 Ų22755.2 Ų55.286%0.85727%0.271SS*.SBendtrans-79.688.1-177.1-54.8-175-164.6-168.15.1111.8L69R67-L69 WeakPolarHBondContact O-CD2 3.45Å; R67-L69 PolarHBondContact O-N 3.21Å
68C88Confident87.6Confident20 Ų2055.6 Ų55.614%0.13527%0.273CS..SBendtrans49.159.5174.4-580000113.4Q66 R89 C91Q66-C68 PolarHBondContact O-N 3.47Å; Q66-C68 VanDerWaalsContact O-N 3.08Å; C68-R89 HydrophobicContact CB-CG 4.2Å; C68-R89 WeakPolarHBondContact O-CD 3.48Å; C68-C91 WeakPolarHBondContact CA-SG 3.35Å; C68-C91 HydrophobicContact CB-CB 3.61Å; C68-C91 WeakPolarHBondContact CB-SG 3.05Å; C68-C91 WeakPolarHBondContact SG-CB 3.01Å; C68-C91 PolarHBondContact SG-N 3.02Å; C68-C91 CovalentContact SG-SG 2.03Å; C68-C91 PolarHBondContact SG-SG 2.83Å
69L86.4Confident87.3Confident101 Ų10153.7 Ų53.753%0.52926%0.264SS..  trans-103.7-17.6-174.7-59.7-176.5000114.5Q66 R67Q66-L69 HydrophobicContact CB-CD1 4.06Å; Q66-L69 HydrophobicContact CB-CG 4.4Å; Q66-L69 HydrophobicContact CG-CD1 4.33Å; R67-L69 WeakPolarHBondContact O-CD2 3.45Å; R67-L69 PolarHBondContact O-N 3.21Å
70H88.2Confident86.9Confident61 Ų6155.2 Ų55.228%0.28227%0.27SS..SBendtrans-92.2-94.3175.7-57.1-69.9000109.2L63 Q66 Y72L63-H70 WeakPolarHBondContact CD1-NE2 3.23Å; Q66-H70 PolarHBondContact OE1-NE2 3.03Å; H70-Y72 WeakPolarHBondContact O-CD1 3.37Å
71D93.4Very high86.6Confident2 Ų260.5 Ų60.51%0.01130%0.295CS..SBendtrans-90.2126177.8-59.80.3000109.9Y32 L59 E60 C91 Q111 S112 S113Y32-D71 WeakPolarHBondContact CE2-OD2 3.18Å; Y32-D71 PolarHBondContact OH-OD2 3.06Å; L59-D71 HydrophobicContact CB-CB 4.42Å; E60-D71 HydrophobicContact CB-CB 4.02Å; D71-C91 VanDerWaalsContact O-CB 3.22Å; D71-C91 WeakPolarHBondContact O-CB 3.46Å; D71-Q111 CarbonylContact C-O 3.59Å; D71-Q111 VanDerWaalsContact CA-O 3.29Å; D71-Q111 WeakPolarHBondContact CA-O 3.12Å; D71-S112 WeakPolarHBondContact OD1-CA 3.46Å; D71-S113 WeakPolarHBondContact OD1-CB 3.49Å; D71-S113 PolarHBondContact OD1-N 2.04Å; D71-S113 PolarHBondContact OD1-OG 3.09Å
72Y94.7Very high86.8Confident27 Ų2764.7 Ų64.711%0.10631%0.309CS..EExtended strand (participates in β ladder)trans-153.5156.8-178.564.4-93.4000114.4H70 E74 R89 Y90 F110 Q111H70-Y72 WeakPolarHBondContact O-CD1 3.37Å; Y72-E74 HydrophobicContact CD2-CB 3.98Å; Y72-E74 HydrophobicContact CE2-CB 3.93Å; Y72-R89 HydrophobicContact CD2-CG 3.63Å; Y72-R89 HydrophobicContact CE2-CG 4.43Å; Y72-R89 HydrophobicContact CG-CG 3.87Å; Y72-Y90 VanDerWaalsContact CA-O 3.31Å; Y72-Y90 WeakPolarHBondContact CA-O 3.19Å; Y72-F110 WeakPolarHBondContact O-CA 3.48Å; Y72-Q111 HydrophobicContact CD1-CB 4.13Å; Y72-Q111 HydrophobicContact CD2-CB 4.49Å; Y72-Q111 HydrophobicContact CE1-CB 3.72Å; Y72-Q111 HydrophobicContact CE1-CG 3.92Å; Y72-Q111 HydrophobicContact CE2-CB 4.13Å; Y72-Q111 HydrophobicContact CG-CB 4.5Å; Y72-Q111 PolarHBondContact N-O 3.38Å; Y72-Q111 PolarHBondContact O-N 3.05Å
73V96Very high87Confident0 Ų064.3 Ų64.30%031%0.305CS..EExtended strand (participates in β ladder)trans-102131.4157.2167.20000109.3W54 F57 L59 V75 R89 Y90 V108 I109 F110 F121W54-V73 HydrophobicContact CH2-CG1 3.85Å; W54-V73 HydrophobicContact CZ2-CG1 4.45Å; F57-V73 HydrophobicContact CE2-CB 4.04Å; F57-V73 HydrophobicContact CE2-CG2 3.79Å; F57-V73 HydrophobicContact CZ-CB 4.37Å; F57-V73 HydrophobicContact CZ-CG2 4.38Å; L59-V73 HydrophobicContact CD1-CG2 4.18Å; V73-V75 HydrophobicContact CG1-CG2 3.87Å; V73-R89 CarbonylContact O-C 3.57Å; V73-R89 VanDerWaalsContact O-CA 3.26Å; V73-R89 WeakPolarHBondContact O-CA 3.3Å; V73-Y90 PolarHBondContact N-O 3.45Å; V73-Y90 PolarHBondContact O-N 3.11Å; V73-V108 HydrophobicContact CG1-CG1 3.72Å; V73-I109 CarbonylContact C-O 3.48Å; V73-I109 WeakPolarHBondContact CA-O 3.34Å; V73-F110 HydrophobicContact CG2-CD2 4.46Å; V73-F121 HydrophobicContact CG2-CD1 3.39Å; V73-F121 HydrophobicContact CG2-CE1 3.14Å; V73-F121 HydrophobicContact CG2-CG 4.4Å; V73-F121 HydrophobicContact CG2-CZ 3.99Å
74E95Very high87.8Confident22 Ų2266.1 Ų66.110%0.10331%0.311CS..EExtended strand (participates in β ladder)trans-116.9129.2168.2-177.4162.886.400109.3Y72 I76 I86 G88 R89 I109Y72-E74 HydrophobicContact CD2-CB 3.98Å; Y72-E74 HydrophobicContact CE2-CB 3.93Å; E74-I76 HydrophobicContact CG-CG1 4.24Å; E74-I86 HydrophobicContact CG-CG2 4.06Å; E74-G88 WeakPolarHBondContact CA-O 3.45Å; E74-R89 HydrophobicContact CB-CG 4.43Å; E74-R89 IonicContact OE1-NH2 2.71Å; E74-R89 IonicContact OE2-CZ 3.65Å; E74-R89 IonicContact OE2-NE 3.37Å; E74-R89 PolarHBondContact OE2-NE 3.14Å; E74-R89 IonicContact OE2-NH2 3.65Å; E74-R89 PolarHBondContact OE2-NH2 3.27Å; E74-I109 HydrophobicContact CB-CB 4.49Å; E74-I109 PolarHBondContact N-O 3.41Å; E74-I109 PolarHBondContact O-N 2.91Å
75V95.2Very high88.6Confident0 Ų063.4 Ų63.40%029%0.29CS..EExtended strand (participates in β ladder)trans-108.6125-178.7-176.80000109W54 V73 S87 G88 Y90 F99 V106 V108W54-V75 HydrophobicContact CZ2-CG2 4.13Å; V73-V75 HydrophobicContact CG1-CG2 3.87Å; V75-S87 PolarHBondContact O-N 3.5Å; V75-G88 PolarHBondContact N-O 3.41Å; V75-Y90 HydrophobicContact CG2-CE2 4.38Å; V75-F99 HydrophobicContact CB-CE1 4.1Å; V75-F99 HydrophobicContact CB-CE2 4.2Å; V75-F99 HydrophobicContact CB-CZ 3.93Å; V75-F99 HydrophobicContact CG1-CD1 3.93Å; V75-F99 HydrophobicContact CG1-CD2 4.13Å; V75-F99 HydrophobicContact CG1-CE1 4Å; V75-F99 HydrophobicContact CG1-CE2 4.2Å; V75-F99 HydrophobicContact CG1-CG 4.01Å; V75-F99 HydrophobicContact CG1-CZ 4.14Å; V75-F99 HydrophobicContact CG2-CD2 4.23Å; V75-F99 HydrophobicContact CG2-CE1 4.4Å; V75-F99 HydrophobicContact CG2-CE2 3.63Å; V75-F99 HydrophobicContact CG2-CZ 3.74Å; V75-V106 HydrophobicContact CG1-CG1 3.83Å; V75-V108 HydrophobicContact CG1-CG2 4.34Å; V75-V108 HydrophobicContact CG2-CG2 4.27Å
76I95Very high89.6Confident10 Ų1056.7 Ų56.75%0.05127%0.269CS..EExtended strand (participates in β ladder)trans-122.4113.7-176.3-55-179.2000108.6E74 I78 Q84 H85 I86 V106 D107 I109E74-I76 HydrophobicContact CG-CG1 4.24Å; I76-I78 HydrophobicContact CG2-CG1 4.4Å; I76-Q84 HydrophobicContact CG2-CB 3.84Å; I76-Q84 HydrophobicContact CG2-CG 4.5Å; I76-H85 CarbonylContact C-O 3.5Å; I76-H85 WeakPolarHBondContact CA-O 3.07Å; I76-I86 HydrophobicContact CG1-CG1 4.42Å; I76-V106 CarbonylContact O-C 3.53Å; I76-V106 WeakPolarHBondContact O-CA 3.42Å; I76-D107 HydrophobicContact CB-CB 4.47Å; I76-D107 PolarHBondContact N-O 2.95Å; I76-D107 PolarHBondContact O-N 3.02Å; I76-I109 HydrophobicContact CD1-CD1 3.75Å
77V94.6Very high90.7Very high1 Ų153.5 Ų53.51%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-84.9135.2172.2177.50000108.4H85 T101 Q103 V106 H218V77-H85 PolarHBondContact N-O 2.97Å; V77-H85 PolarHBondContact O-N 3.28Å; V77-T101 HydrophobicContact CG1-CG2 4.39Å; V77-T101 WeakPolarHBondContact CG1-OG1 3.31Å; V77-Q103 HydrophobicContact CG1-CB 3.71Å; V77-Q103 HydrophobicContact CG1-CG 3.65Å; V77-V106 HydrophobicContact CG2-CG2 4.26Å; V77-H218 HydrophobicContact CG1-CB 4.45Å
78I94.1Very high91.1Very high11 Ų1143.5 Ų43.56%0.05622%0.223CC..EExtended strand (participates in β ladder)trans-116.1117.5-179.8-54.7172.9000107.4I76 V83 Q84 S105 D107I76-I78 HydrophobicContact CG2-CG1 4.4Å; I78-V83 WeakPolarHBondContact CA-O 3.42Å; I78-Q84 HydrophobicContact CG1-CG 4.21Å; I78-S105 PolarHBondContact N-O 2.92Å; I78-D107 HydrophobicContact CD1-CB 4.46Å
79D89.7Confident91.3Very high14 Ų1447.1 Ų47.18%0.07523%0.233CC..  trans-82.1174.8-170.972.219.2000114.3Q81 N82 V83 H85 Q103D79-Q81 PolarHBondContact O-N 3.25Å; D79-Q81 VanDerWaalsContact O-N 3.13Å; D79-Q81 VanDerWaalsContact OD1-C 3.28Å; D79-Q81 VanDerWaalsContact OD1-CA 3.25Å; D79-Q81 WeakPolarHBondContact OD1-CA 3.48Å; D79-Q81 WeakPolarHBondContact OD1-CB 3.27Å; D79-Q81 PolarHBondContact OD1-N 3.47Å; D79-N82 WeakPolarHBondContact O-CA 3.1Å; D79-N82 PolarHBondContact O-N 2.94Å; D79-N82 PolarHBondContact OD1-N 3.46Å; D79-V83 PolarHBondContact N-O 2.88Å; D79-V83 PolarHBondContact OD1-N 3.33Å; D79-V83 WeakPolarHBondContact OD2-CB 3.4Å; D79-H85 IonicContact OD2-CD2 2.78Å; D79-H85 IonicContact OD2-CE1 2.8Å; D79-H85 IonicContact OD2-NE2 3.57Å; D79-H85 PolarHBondContact OD2-NE2 3.21Å; D79-Q103 VanDerWaalsContact CA-CD 3.45Å; D79-Q103 VanDerWaalsContact CA-OE1 3.31Å; D79-Q103 HydrophobicContact CB-CG 4.28Å
80R86Confident91.7Very high34 Ų3444.6 Ų44.613%0.12822%0.217CC..THydrogen-bonded Turntrans-65.5-7176.6-57.4-160.6-177.2-99.820.3113.9P46 Q103 E130 Y216P46-R80 PolarHBondContact O-NH1 3.05Å; P46-R80 PolarHBondContact O-NH2 3.06Å; R80-Q103 VanDerWaalsContact CG-OE1 3.22Å; R80-E130 IonicContact NH2-OE2 3.68Å; R80-E130 PolarHBondContact NH2-OE2 2.95Å; R80-Y216 VanDerWaalsContact NE-CD1 3.32Å
81Q85.6Confident91.9Very high133 Ų13342.4 Ų42.462%0.62121%0.209SC*.THydrogen-bonded Turntrans-99.8-0.3171.2-54.9-177.6500112D79 V83 D253D79-Q81 PolarHBondContact O-N 3.25Å; D79-Q81 VanDerWaalsContact O-N 3.13Å; D79-Q81 VanDerWaalsContact OD1-C 3.28Å; D79-Q81 VanDerWaalsContact OD1-CA 3.25Å; D79-Q81 WeakPolarHBondContact OD1-CA 3.48Å; D79-Q81 WeakPolarHBondContact OD1-CB 3.27Å; D79-Q81 PolarHBondContact OD1-N 3.47Å; Q81-V83 VanDerWaalsContact C-N 3.3Å; Q81-V83 HydrophobicContact CB-CG2 4.29Å; Q81-D253 PolarHBondContact NE2-OD2 2.82Å
82N90.4Very high91.9Very high121 Ų12142.8 Ų42.865%0.64721%0.213SC*.  trans66.718-172.5-56-84.1000115.3D79D79-N82 WeakPolarHBondContact O-CA 3.1Å; D79-N82 PolarHBondContact O-N 2.94Å; D79-N82 PolarHBondContact OD1-N 3.46Å
83V90Very high91.8Very high71 Ų7145.8 Ų45.843%0.4324%0.238SC..  trans-75.1140.5170-173.70000109I78 D79 Q81 H85I78-V83 WeakPolarHBondContact CA-O 3.42Å; D79-V83 PolarHBondContact N-O 2.88Å; D79-V83 PolarHBondContact OD1-N 3.33Å; D79-V83 WeakPolarHBondContact OD2-CB 3.4Å; Q81-V83 VanDerWaalsContact C-N 3.3Å; Q81-V83 HydrophobicContact CB-CG2 4.29Å; V83-H85 PolarHBondContact O-CD2 3.48Å
84Q92.6Very high91.7Very high115 Ų11556.2 Ų56.254%0.53728%0.277SS..EExtended strand (participates in β ladder)trans-99.7121.2-179.3-57.7-169.731.800109.9I76 I78I76-Q84 HydrophobicContact CG2-CB 3.84Å; I76-Q84 HydrophobicContact CG2-CG 4.5Å; I78-Q84 HydrophobicContact CG1-CG 4.21Å
85H90Very high91.6Very high46 Ų4660 Ų6021%0.21329%0.293CS..EExtended strand (participates in β ladder)trans-112.4117.6-179.4-58-86.8000108.9I76 V77 D79 V83 S87I76-H85 CarbonylContact C-O 3.5Å; I76-H85 WeakPolarHBondContact CA-O 3.07Å; V77-H85 PolarHBondContact N-O 2.97Å; V77-H85 PolarHBondContact O-N 3.28Å; D79-H85 IonicContact OD2-CD2 2.78Å; D79-H85 IonicContact OD2-CE1 2.8Å; D79-H85 IonicContact OD2-NE2 3.57Å; D79-H85 PolarHBondContact OD2-NE2 3.21Å; V83-H85 PolarHBondContact O-CD2 3.48Å; H85-S87 PolarHBondContact O-N 3.5Å
86I90.9Very high91.4Very high98 Ų9860.5 Ų60.550%0.50330%0.296SS..EExtended strand (participates in β ladder)trans-76.1112.3176.6-58.6176.1000107.6E74 I76 N220E74-I86 HydrophobicContact CG-CG2 4.06Å; I76-I86 HydrophobicContact CG1-CG1 4.42Å; I86-N220 PolarHBondContact O-ND2 3.21Å; I86-N220 VanDerWaalsContact O-ND2 3.13Å
87S88.6Confident91.2Very high9 Ų963.4 Ų63.46%0.06332%0.316CS..EExtended strand (participates in β ladder)trans-87-18.9-176-166.70000113.4V75 H85 Y90 F99 N220V75-S87 PolarHBondContact O-N 3.5Å; H85-S87 PolarHBondContact O-N 3.5Å; S87-Y90 PolarHBondContact O-OH 3.16Å; S87-F99 WeakPolarHBondContact OG-CE1 3.35Å; S87-N220 WeakPolarHBondContact CA-OD1 3.38Å; S87-N220 WeakPolarHBondContact CB-OD1 3.2Å; S87-N220 PolarHBondContact O-OD1 3.3Å; S87-N220 VanDerWaalsContact O-OD1 3.05Å; S87-N220 PolarHBondContact OG-OD1 3.01Å
88G88.8Confident91Very high17 Ų1766.7 Ų66.718%0.17533%0.333CS..EExtended strand (participates in β ladder)trans160.4169.7168.200000113.5E74 V75E74-G88 WeakPolarHBondContact CA-O 3.45Å; V75-G88 PolarHBondContact N-O 3.41Å
89R92.6Very high90.7Very high96 Ų9666.9 Ų66.936%0.36233%0.334SS..EExtended strand (participates in β ladder)trans-127.4134.4174.9-168-176.4-65.9-169.8-2.1110.7C68 Y72 V73 E74C68-R89 HydrophobicContact CB-CG 4.2Å; C68-R89 WeakPolarHBondContact O-CD 3.48Å; Y72-R89 HydrophobicContact CD2-CG 3.63Å; Y72-R89 HydrophobicContact CE2-CG 4.43Å; Y72-R89 HydrophobicContact CG-CG 3.87Å; V73-R89 CarbonylContact O-C 3.57Å; V73-R89 VanDerWaalsContact O-CA 3.26Å; V73-R89 WeakPolarHBondContact O-CA 3.3Å; E74-R89 HydrophobicContact CB-CG 4.43Å; E74-R89 IonicContact OE1-NH2 2.71Å; E74-R89 IonicContact OE2-CZ 3.65Å; E74-R89 IonicContact OE2-NE 3.37Å; E74-R89 PolarHBondContact OE2-NE 3.14Å; E74-R89 IonicContact OE2-NH2 3.65Å; E74-R89 PolarHBondContact OE2-NH2 3.27Å
90Y93.7Very high90.8Very high49 Ų4971.4 Ų71.419%0.19235%0.353CS..EExtended strand (participates in β ladder)trans-136.8144.4-166.6-51.6-86.3000111.5Y72 V73 V75 S87 P96 F99Y72-Y90 VanDerWaalsContact CA-O 3.31Å; Y72-Y90 WeakPolarHBondContact CA-O 3.19Å; V73-Y90 PolarHBondContact N-O 3.45Å; V73-Y90 PolarHBondContact O-N 3.11Å; V75-Y90 HydrophobicContact CG2-CE2 4.38Å; S87-Y90 PolarHBondContact O-OH 3.16Å; Y90-P96 HydrophobicContact CD1-CB 3.75Å; Y90-P96 HydrophobicContact CD1-CG 4.09Å; Y90-P96 HydrophobicContact CD2-CB 3.97Å; Y90-P96 HydrophobicContact CD2-CG 4.04Å; Y90-P96 HydrophobicContact CE1-CB 3.98Å; Y90-P96 HydrophobicContact CE2-CB 4.19Å; Y90-P96 HydrophobicContact CG-CB 3.76Å; Y90-P96 HydrophobicContact CG-CG 3.69Å; Y90-F99 HydrophobicContact CE2-CE2 4.39Å; Y90-F99 AromaticContact CE2-CZ 3.6Å; Y90-F99 HydrophobicContact CE2-CZ 3.6Å; Y90-F99 AromaticContact CZ-CZ 3.77Å; Y90-F99 WeakPolarHBondContact OH-CZ 3.35Å
91C94.2Very high91.1Very high15 Ų1570.1 Ų70.110%0.10135%0.349CS..  trans-158.7175.8179.267.70000110.2E60 P62 C68 D71E60-C91 WeakPolarHBondContact O-CB 3.46Å; P62-C91 VanDerWaalsContact CD-SG 3.59Å; C68-C91 WeakPolarHBondContact CA-SG 3.35Å; C68-C91 HydrophobicContact CB-CB 3.61Å; C68-C91 WeakPolarHBondContact CB-SG 3.05Å; C68-C91 WeakPolarHBondContact SG-CB 3.01Å; C68-C91 PolarHBondContact SG-N 3.02Å; C68-C91 CovalentContact SG-SG 2.03Å; C68-C91 PolarHBondContact SG-SG 2.83Å; D71-C91 VanDerWaalsContact O-CB 3.22Å; D71-C91 WeakPolarHBondContact O-CB 3.46Å
92G92.9Very high91.4Very high9 Ų965.1 Ų65.19%0.09333%0.326CS..THydrogen-bonded Turntrans73.6-158.2-171.800000113.8F57 H58 L59 E60F57-G92 VanDerWaalsContact CD1-O 3.25Å; F57-G92 WeakPolarHBondContact CD1-O 3.36Å; F57-G92 VanDerWaalsContact CE1-O 3.29Å; F57-G92 WeakPolarHBondContact CE1-O 3.02Å; H58-G92 WeakPolarHBondContact CA-O 3Å; L59-G92 PolarHBondContact N-O 3.33Å; L59-G92 CarbonylContact O-C 3.56Å; L59-G92 WeakPolarHBondContact O-CA 3.11Å; L59-G92 PolarHBondContact O-N 3.03Å; E60-G92 PolarHBondContact O-N 2.84Å
93S92.8Very high91.6Very high91 Ų9159.6 Ų59.664%0.63630%0.296SS*.THydrogen-bonded Turntrans-100.76.5-173.955.30000115.3F57F57-S93 CarbonylContact O-C 3.51Å; F57-S93 WeakPolarHBondContact O-CA 3.31Å
94R92.9Very high91.7Very high218 Ų21858.6 Ų58.682%0.82329%0.287SS*.SBendtrans-94115.8175.2-178.1178.9174.8-177.9-0.6109.7F57F57-R94 WeakPolarHBondContact CD1-O 3.35Å
95K92.6Very high91.9Very high103 Ų10353.5 Ų53.545%0.44826%0.264SS..PPolyproline II helixtrans-52.6136.7174-53.3-174.3-168.6-175.60111.2W54 S55 F57W54-K95 HydrophobicContact CB-CB 4.25Å; S55-K95 PolarHBondContact O-NZ 2.99Å; F57-K95 HydrophobicContact CB-CB 4.2Å; F57-K95 HydrophobicContact CB-CG 3.86Å
96P92.1Very high92.3Very high9 Ų951.4 Ų51.46%0.05825%0.254CS..PPolyproline II helixtrans-61.9164.2170.1-17.128.8000111.6W54 F57 Y90 F99W54-P96 HydrophobicContact CD2-CB 4.38Å; W54-P96 HydrophobicContact CD2-CG 3.94Å; W54-P96 HydrophobicContact CE3-CG 4.41Å; W54-P96 HydrophobicContact CG-CB 4.38Å; W54-P96 HydrophobicContact CG-CG 4.24Å; W54-P96 HydrophobicContact CZ2-CB 4.5Å; W54-P96 HydrophobicContact CZ2-CG 4.21Å; F57-P96 HydrophobicContact CD2-CG 3.95Å; F57-P96 HydrophobicContact CE2-CG 3.8Å; F57-P96 HydrophobicContact CZ-CG 4.25Å; Y90-P96 HydrophobicContact CD1-CB 3.75Å; Y90-P96 HydrophobicContact CD1-CG 4.09Å; Y90-P96 HydrophobicContact CD2-CB 3.97Å; Y90-P96 HydrophobicContact CD2-CG 4.04Å; Y90-P96 HydrophobicContact CE1-CB 3.98Å; Y90-P96 HydrophobicContact CE2-CB 4.19Å; Y90-P96 HydrophobicContact CG-CB 3.76Å; Y90-P96 HydrophobicContact CG-CG 3.69Å; P96-F99 HydrophobicContact CB-CE2 4Å; P96-F99 HydrophobicContact CB-CZ 4.39Å
97P90.9Very high92.6Very high72 Ų7246.9 Ų46.947%0.46823%0.231SC..PPolyproline II helixtrans-60154.7167.7-19.532.9000112.2W54 F99W54-P97 VanDerWaalsContact CD1-O 3.26Å; W54-P97 PolarHBondContact NE1-O 3.43Å; W54-P97 VanDerWaalsContact NE1-O 3.11Å; P97-F99 WeakPolarHBondContact O-CD2 3.32Å; P97-F99 VanDerWaalsContact O-CE2 3.25Å; P97-F99 WeakPolarHBondContact O-CE2 3.43Å; P97-F99 PolarHBondContact O-N 3.14Å
98D90Very high93Very high69 Ų6946.4 Ų46.437%0.36923%0.228SC..PPolyproline II helixtrans-62.6125.7167.5-71.3-8.8000110.2I52 K100I52-D98 CarbonylContact O-C 3.58Å; I52-D98 WeakPolarHBondContact O-CA 3.39Å; D98-K100 HydrophobicContact CB-CD 4.44Å; D98-K100 HydrophobicContact CB-CG 4.34Å; D98-K100 PolarHBondContact O-N 3.41Å; D98-K100 WeakPolarHBondContact OD2-CE 3.37Å; D98-K100 IonicContact OD2-NZ 3.53Å; D98-K100 PolarHBondContact OD2-NZ 3.44Å
99F88.1Confident93.4Very high16 Ų1646 Ų467%0.0722%0.222CC..EExtended strand (participates in β ladder)trans-89.596.2176.1-64-83.5000109.8W51 I52 W54 V75 S87 Y90 P96 P97W51-F99 CarbonylContact C-O 3.41Å; W51-F99 VanDerWaalsContact CA-O 3.31Å; W51-F99 WeakPolarHBondContact CA-O 3.25Å; I52-F99 HydrophobicContact CB-CB 4.3Å; I52-F99 PolarHBondContact N-O 3.18Å; I52-F99 PolarHBondContact O-N 2.96Å; W54-F99 AromaticContact CE2-CE2 3.9Å; W54-F99 HydrophobicContact CZ2-CD2 4.08Å; W54-F99 AromaticContact CZ2-CE2 3.84Å; W54-F99 HydrophobicContact CZ2-CE2 3.84Å; W54-F99 AromaticContact NE1-CD2 3.45Å; W54-F99 AromaticContact NE1-CE2 3.37Å; V75-F99 HydrophobicContact CB-CE1 4.1Å; V75-F99 HydrophobicContact CB-CE2 4.2Å; V75-F99 HydrophobicContact CB-CZ 3.93Å; V75-F99 HydrophobicContact CG1-CD1 3.93Å; V75-F99 HydrophobicContact CG1-CD2 4.13Å; V75-F99 HydrophobicContact CG1-CE1 4Å; V75-F99 HydrophobicContact CG1-CE2 4.2Å; V75-F99 HydrophobicContact CG1-CG 4.01Å; V75-F99 HydrophobicContact CG1-CZ 4.14Å; V75-F99 HydrophobicContact CG2-CD2 4.23Å; V75-F99 HydrophobicContact CG2-CE1 4.4Å; V75-F99 HydrophobicContact CG2-CE2 3.63Å; V75-F99 HydrophobicContact CG2-CZ 3.74Å; S87-F99 WeakPolarHBondContact OG-CE1 3.35Å; Y90-F99 HydrophobicContact CE2-CE2 4.39Å; Y90-F99 AromaticContact CE2-CZ 3.6Å; Y90-F99 HydrophobicContact CE2-CZ 3.6Å; Y90-F99 AromaticContact CZ-CZ 3.77Å; Y90-F99 WeakPolarHBondContact OH-CZ 3.35Å; P96-F99 HydrophobicContact CB-CE2 4Å; P96-F99 HydrophobicContact CB-CZ 4.39Å; P97-F99 WeakPolarHBondContact O-CD2 3.32Å; P97-F99 VanDerWaalsContact O-CE2 3.25Å; P97-F99 WeakPolarHBondContact O-CE2 3.43Å; P97-F99 PolarHBondContact O-N 3.14Å
100K90.1Very high93.6Very high108 Ų10841.4 Ų41.447%0.4720%0.204SC..EExtended strand (participates in β ladder)trans-102.668.5177.6-65.4177.4-178.6147.70109.5W51 D98W51-K100 HydrophobicContact CB-CG 4.46Å; W51-K100 HydrophobicContact CD2-CB 3.93Å; W51-K100 HydrophobicContact CD2-CD 4.16Å; W51-K100 HydrophobicContact CD2-CG 3.66Å; W51-K100 HydrophobicContact CE3-CD 3.94Å; W51-K100 HydrophobicContact CE3-CG 3.92Å; W51-K100 HydrophobicContact CG-CB 4.09Å; W51-K100 HydrophobicContact CG-CG 3.93Å; W51-K100 HydrophobicContact CH2-CD 4.35Å; W51-K100 HydrophobicContact CZ2-CB 4.26Å; W51-K100 HydrophobicContact CZ3-CD 4.05Å; W51-K100 HydrophobicContact CZ3-CG 4.46Å; D98-K100 HydrophobicContact CB-CD 4.44Å; D98-K100 HydrophobicContact CB-CG 4.34Å; D98-K100 PolarHBondContact O-N 3.41Å; D98-K100 WeakPolarHBondContact OD2-CE 3.37Å; D98-K100 IonicContact OD2-NZ 3.53Å; D98-K100 PolarHBondContact OD2-NZ 3.44Å
101T92.4Very high93.7Very high8 Ų840.8 Ų40.85%0.04920%0.203CC..  trans-76.6159-177.3-172.60000111.8V50 W51 V77 Q103 V106V50-T101 HydrophobicContact CB-CG2 4.25Å; V50-T101 WeakPolarHBondContact O-CG2 3.45Å; V50-T101 PolarHBondContact O-N 3.13Å; W51-T101 PolarHBondContact NE1-O 3.08Å; V77-T101 HydrophobicContact CG1-CG2 4.39Å; V77-T101 WeakPolarHBondContact CG1-OG1 3.31Å; T101-Q103 VanDerWaalsContact C-N 3.3Å; T101-Q103 HydrophobicContact CG2-CB 4.19Å; T101-Q103 PolarHBondContact OG1-N 3.2Å; T101-V106 HydrophobicContact CG2-CG2 3.65Å
102M92.5Very high93.7Very high27 Ų2740.1 Ų40.113%0.13320%0.199CC..SBendtrans-90.78.2169-82.9-52.9-4300113.3V49 E130 V133 G215 Y216 R256V49-M102 HydrophobicContact CG1-CE 3.55Å; V49-M102 HydrophobicContact CG1-SD 4.17Å; M102-E130 HydrophobicContact CE-CG 4.12Å; M102-E130 WeakPolarHBondContact CE-OE1 3.4Å; M102-V133 HydrophobicContact SD-CG1 4.13Å; M102-G215 WeakPolarHBondContact CG-O 3.46Å; M102-Y216 HydrophobicContact CE-CD1 4.29Å; M102-Y216 HydrophobicContact CE-CE1 4.02Å; M102-R256 VanDerWaalsContact CE-CZ 3.45Å; M102-R256 PolarHBondContact SD-NH1 3.06Å; M102-R256 PolarHBondContact SD-NH2 2.94Å
103Q93.9Very high93.5Very high5 Ų540.4 Ų40.42%0.02320%0.199CC..SBendtrans-102.8150.1-175.2-64.3-62.6-15.100113.3V50 V77 D79 R80 T101 S105 Y216V50-Q103 PolarHBondContact N-O 3.38Å; V77-Q103 HydrophobicContact CG1-CB 3.71Å; V77-Q103 HydrophobicContact CG1-CG 3.65Å; D79-Q103 VanDerWaalsContact CA-CD 3.45Å; D79-Q103 VanDerWaalsContact CA-OE1 3.31Å; D79-Q103 HydrophobicContact CB-CG 4.28Å; R80-Q103 VanDerWaalsContact CG-OE1 3.22Å; T101-Q103 VanDerWaalsContact C-N 3.3Å; T101-Q103 HydrophobicContact CG2-CB 4.19Å; T101-Q103 PolarHBondContact OG1-N 3.2Å; Q103-S105 PolarHBondContact O-N 2.86Å; Q103-Y216 PolarHBondContact NE2-O 3.04Å
104Q94.2Very high93.1Very high50 Ų5044 Ų4423%0.23420%0.204CC..SBendtrans-76.4-3.6-179.970.8-172.430.300113.8G44G44-Q104 PolarHBondContact N-O 3.44Å
105S96.4Very high92.2Very high9 Ų935.2 Ų35.26%0.06318%0.176CC..EExtended strand (participates in β ladder)trans-148.4132.5-173-77.70000113.3F42 R43 I78 Q103F42-S105 WeakPolarHBondContact O-CA 3.49Å; R43-S105 WeakPolarHBondContact CD-OG 3.47Å; R43-S105 PolarHBondContact NH1-OG 3.39Å; I78-S105 PolarHBondContact N-O 2.92Å; Q103-S105 PolarHBondContact O-N 2.86Å
106V97Very high91.5Very high1 Ų137.3 Ų37.31%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-137.7134.7171.5-178.10000108.7F42 V50 I52 V75 I76 V77 T101 V108F42-V106 PolarHBondContact N-O 2.9Å; F42-V106 PolarHBondContact O-N 2.78Å; V50-V106 HydrophobicContact CB-CG2 3.82Å; V50-V106 HydrophobicContact CG1-CB 4.18Å; V50-V106 HydrophobicContact CG1-CG2 3.89Å; V50-V106 HydrophobicContact CG2-CG2 4.33Å; I52-V106 HydrophobicContact CD1-CB 4.37Å; I52-V106 HydrophobicContact CD1-CG1 3.95Å; V75-V106 HydrophobicContact CG1-CG1 3.83Å; I76-V106 CarbonylContact O-C 3.53Å; I76-V106 WeakPolarHBondContact O-CA 3.42Å; V77-V106 HydrophobicContact CG2-CG2 4.26Å; T101-V106 HydrophobicContact CG2-CG2 3.65Å; V106-V108 HydrophobicContact CG1-CG2 4.23Å
107D97.3Very high91.1Very high3 Ų339.3 Ų39.32%0.01619%0.193CC..EExtended strand (participates in β ladder)trans-107.6126165.9-86.719.1000108.5R39 F40 R41 R43 I76 I78R39-D107 IonicContact CZ-OD2 3.3Å; R39-D107 VanDerWaalsContact CZ-OD2 3.3Å; R39-D107 IonicContact NE-OD2 2.7Å; R39-D107 PolarHBondContact NE-OD2 3.07Å; R39-D107 IonicContact NH2-OD2 3.03Å; R39-D107 PolarHBondContact NH2-OD2 2.8Å; F40-D107 WeakPolarHBondContact O-CA 3.36Å; R41-D107 WeakPolarHBondContact CG-OD1 3.39Å; R43-D107 IonicContact CZ-OD1 3.55Å; R43-D107 IonicContact NE-OD1 3.7Å; R43-D107 IonicContact NH2-OD1 2.7Å; R43-D107 PolarHBondContact NH2-OD1 2.63Å; R43-D107 IonicContact NH2-OD2 3.76Å; I76-D107 HydrophobicContact CB-CB 4.47Å; I76-D107 PolarHBondContact N-O 2.95Å; I76-D107 PolarHBondContact O-N 3.02Å; I78-D107 HydrophobicContact CD1-CB 4.46Å
108V97.6Very high91.1Very high0 Ų039 Ų390%019%0.185CC..EExtended strand (participates in β ladder)trans-104.9121.4169.5177.30000107.7F40 F42 I52 W54 V73 V75 V106F40-V108 HydrophobicContact CB-CB 4.28Å; F40-V108 PolarHBondContact N-O 3.35Å; F40-V108 PolarHBondContact O-N 2.97Å; F42-V108 HydrophobicContact CD2-CG2 4.29Å; F42-V108 HydrophobicContact CE2-CB 4.16Å; F42-V108 HydrophobicContact CE2-CG2 3.74Å; I52-V108 HydrophobicContact CD1-CG2 3.89Å; W54-V108 HydrophobicContact CH2-CG1 4.09Å; V73-V108 HydrophobicContact CG1-CG1 3.72Å; V75-V108 HydrophobicContact CG1-CG2 4.34Å; V75-V108 HydrophobicContact CG2-CG2 4.27Å; V106-V108 HydrophobicContact CG1-CG2 4.23Å
109I97.1Very high91.3Very high8 Ų839.9 Ų39.94%0.04119%0.187CC..EExtended strand (participates in β ladder)trans-105.9118.7178.7-57.4179.8000108.3C38 R39 V73 E74 I76C38-I109 WeakPolarHBondContact O-CA 3.16Å; R39-I109 HydrophobicContact CG-CG1 4.34Å; V73-I109 CarbonylContact C-O 3.48Å; V73-I109 WeakPolarHBondContact CA-O 3.34Å; E74-I109 HydrophobicContact CB-CB 4.49Å; E74-I109 PolarHBondContact N-O 3.41Å; E74-I109 PolarHBondContact O-N 2.91Å; I76-I109 HydrophobicContact CD1-CD1 3.75Å
110F97.1Very high91.7Very high0 Ų039.1 Ų39.10%018%0.184CC..EExtended strand (participates in β ladder)trans-96.9133.3165.9172.9-122.9000109.3T25 Y32 T36 R37 C38 F40 L59 Y72 V73 F121T25-F110 HydrophobicContact CG2-CD1 4.02Å; T25-F110 HydrophobicContact CG2-CD2 4.25Å; T25-F110 HydrophobicContact CG2-CE1 3.96Å; T25-F110 HydrophobicContact CG2-CE2 4.2Å; T25-F110 HydrophobicContact CG2-CG 4.16Å; T25-F110 HydrophobicContact CG2-CZ 4.05Å; Y32-F110 HydrophobicContact CD1-CZ 4.24Å; Y32-F110 HydrophobicContact CD2-CE1 4.44Å; Y32-F110 AromaticContact CD2-CZ 3.68Å; Y32-F110 HydrophobicContact CD2-CZ 3.68Å; Y32-F110 HydrophobicContact CE2-CZ 4.12Å; Y32-F110 HydrophobicContact CG-CE1 4.4Å; Y32-F110 AromaticContact CG-CZ 3.74Å; Y32-F110 HydrophobicContact CG-CZ 3.74Å; T36-F110 HydrophobicContact CG2-CE1 4.44Å; R37-F110 CarbonylContact C-O 3.54Å; R37-F110 WeakPolarHBondContact CA-O 3.37Å; C38-F110 HydrophobicContact CB-CB 4.25Å; C38-F110 HydrophobicContact CB-CD1 4.33Å; C38-F110 PolarHBondContact N-O 3.11Å; C38-F110 PolarHBondContact O-N 2.84Å; F40-F110 HydrophobicContact CE2-CB 4.14Å; L59-F110 HydrophobicContact CD1-CD2 4.27Å; L59-F110 HydrophobicContact CD1-CE2 4.04Å; L59-F110 HydrophobicContact CD2-CD2 4.42Å; L59-F110 HydrophobicContact CD2-CE2 3.65Å; L59-F110 HydrophobicContact CD2-CZ 4.37Å; Y72-F110 WeakPolarHBondContact O-CA 3.48Å; V73-F110 HydrophobicContact CG2-CD2 4.46Å; F110-F121 HydrophobicContact CB-CE1 3.88Å; F110-F121 HydrophobicContact CB-CZ 4.07Å; F110-F121 AromaticContact CD2-CE1 3.84Å; F110-F121 HydrophobicContact CD2-CE1 3.84Å; F110-F121 AromaticContact CG-CE1 3.92Å; F110-F121 HydrophobicContact CG-CE1 3.92Å; F110-F121 HydrophobicContact CG-CZ 4.46Å
111Q95.4Very high92Very high35 Ų3534 Ų3416%0.16416%0.161CC..EExtended strand (participates in β ladder)trans-126.8132169-176.767.663.400108.3T36 R37 D71 Y72T36-Q111 WeakPolarHBondContact O-CA 3.49Å; T36-Q111 PolarHBondContact O-NE2 2.76Å; R37-Q111 VanDerWaalsContact CD-OE1 3.27Å; D71-Q111 CarbonylContact C-O 3.59Å; D71-Q111 VanDerWaalsContact CA-O 3.29Å; D71-Q111 WeakPolarHBondContact CA-O 3.12Å; Y72-Q111 HydrophobicContact CD1-CB 4.13Å; Y72-Q111 HydrophobicContact CD2-CB 4.49Å; Y72-Q111 HydrophobicContact CE1-CB 3.72Å; Y72-Q111 HydrophobicContact CE1-CG 3.92Å; Y72-Q111 HydrophobicContact CE2-CB 4.13Å; Y72-Q111 HydrophobicContact CG-CB 4.5Å; Y72-Q111 PolarHBondContact N-O 3.38Å; Y72-Q111 PolarHBondContact O-N 3.05Å
112S94.2Very high92.3Very high1 Ų134.3 Ų34.31%0.00716%0.164CC..  trans-114.6160.6160.663.30000111.1P33 D35 T36 D71P33-S112 PolarHBondContact O-OG 3.44Å; D35-S112 PolarHBondContact N-OG 2.95Å; T36-S112 WeakPolarHBondContact CB-OG 3.44Å; T36-S112 PolarHBondContact N-OG 2.82Å; T36-S112 PolarHBondContact O-N 3.13Å; T36-S112 PolarHBondContact O-OG 2.89Å; D71-S112 WeakPolarHBondContact OD1-CA 3.46Å
113S89.2Confident92.5Very high16 Ų1633.1 Ų33.111%0.11216%0.158CC..  trans-109.3-164.3174.866.90000110.6A34 D35 D71 S115 H117A34-S113 WeakPolarHBondContact CA-O 3.28Å; D35-S113 PolarHBondContact N-O 3.22Å; D71-S113 WeakPolarHBondContact OD1-CB 3.49Å; D71-S113 PolarHBondContact OD1-N 2.04Å; D71-S113 PolarHBondContact OD1-OG 3.09Å; S113-S115 VanDerWaalsContact C-N 3.27Å; S113-S115 PolarHBondContact O-N 3.22Å; S113-S115 WeakPolarHBondContact OG-CB 3.43Å; S113-S115 PolarHBondContact OG-N 3.39Å; S113-S115 PolarHBondContact OG-OG 3.04Å; S113-H117 PolarHBondContact O-CE1 2.78Å
114F83.8Confident92.7Very high166 Ų16636.2 Ų36.273%0.72817%0.174SC*.SBendtrans-84.56.5177.166.8-89.4000113.8D35D35-F114 PolarHBondContact OD1-N 2.99Å
115S73.3Confident92.9Very high34 Ų3434.7 Ų34.724%0.23817%0.166CC..SBendtrans-87.4-139.9-164.472.50000114.4E60 S113 H117E60-S115 VanDerWaalsContact CD-OG 3.24Å; E60-S115 WeakPolarHBondContact OE2-CB 3.17Å; E60-S115 PolarHBondContact OE2-OG 2.94Å; S113-S115 VanDerWaalsContact C-N 3.27Å; S113-S115 PolarHBondContact O-N 3.22Å; S113-S115 WeakPolarHBondContact OG-CB 3.43Å; S113-S115 PolarHBondContact OG-N 3.39Å; S113-S115 PolarHBondContact OG-OG 3.04Å; S115-H117 PolarHBondContact O-CE1 2.79Å; S115-H117 PolarHBondContact O-ND1 3.24Å
116K78.5Confident93Very high146 Ų14637.6 Ų37.664%0.63518%0.18SC*.  trans-86.1128.2-179.8-66.7172.5179.3174.20110.3Y32 F118Y32-K116 PolarHBondContact OH-O 3.14Å; K116-F118 HydrophobicContact CB-CE2 3.73Å; K116-F118 HydrophobicContact CB-CZ 4.06Å; K116-F118 WeakPolarHBondContact O-CD2 3.45Å; K116-F118 WeakPolarHBondContact O-CE2 3.36Å
117H83.1Confident93Very high51 Ų5137.8 Ų37.824%0.23618%0.181CC..  trans-108126.1-178.2-46.8-32.4000112.7S31 Y32 A34 S113 S115S31-H117 WeakPolarHBondContact CB-O 3.44Å; S31-H117 PolarHBondContact OG-O 3.3Å; Y32-H117 HydrophobicContact CD2-CB 3.82Å; Y32-H117 AromaticContact CD2-CG 3.93Å; Y32-H117 AromaticContact CD2-ND1 3.98Å; Y32-H117 HydrophobicContact CE2-CB 3.69Å; Y32-H117 AromaticContact CE2-CG 3.79Å; Y32-H117 AromaticContact CE2-ND1 3.51Å; Y32-H117 HydrophobicContact CG-CB 4.32Å; Y32-H117 WeakPolarHBondContact O-CB 3.49Å; Y32-H117 PolarHBondContact O-CD2 2.86Å; Y32-H117 VanDerWaalsContact O-CD2 3.27Å; Y32-H117 VanDerWaalsContact O-CG 3.25Å; A34-H117 VanDerWaalsContact CA-NE2 3.27Å; A34-H117 WeakPolarHBondContact CA-NE2 3.31Å; A34-H117 VanDerWaalsContact CB-NE2 3.26Å; A34-H117 WeakPolarHBondContact CB-NE2 3.37Å; A34-H117 PolarHBondContact N-NE2 3.33Å; S113-H117 PolarHBondContact O-CE1 2.78Å; S115-H117 PolarHBondContact O-CE1 2.79Å; S115-H117 PolarHBondContact O-ND1 3.24Å
118F92.4Very high93Very high65 Ų6538.7 Ų38.729%0.28519%0.185SC..  trans-104.7-175.3179.8-59.2-90000110S31 Y32 H58 E60 K116 G120S31-F118 VanDerWaalsContact CA-O 3.23Å; S31-F118 WeakPolarHBondContact CA-O 3.44Å; Y32-F118 WeakPolarHBondContact CD1-O 3.42Å; Y32-F118 HydrophobicContact CE1-CB 4.21Å; Y32-F118 VanDerWaalsContact CE1-N 3.33Å; Y32-F118 WeakPolarHBondContact CE1-O 3.24Å; Y32-F118 PolarHBondContact N-O 2.92Å; H58-F118 HydrophobicContact CB-CB 4.31Å; H58-F118 AromaticContact CD2-CD1 3.83Å; H58-F118 AromaticContact CD2-CG 3.81Å; H58-F118 AromaticContact CE1-CD1 3.64Å; H58-F118 AromaticContact NE2-CD1 3.33Å; H58-F118 VanDerWaalsContact NE2-CD1 3.33Å; H58-F118 WeakPolarHBondContact NE2-CD1 3.13Å; H58-F118 AromaticContact NE2-CE1 3.91Å; H58-F118 AromaticContact NE2-CG 3.82Å; H58-F118 VanDerWaalsContact O-CB 3.24Å; H58-F118 WeakPolarHBondContact O-CB 3.2Å; E60-F118 HydrophobicContact CB-CD2 4.29Å; E60-F118 HydrophobicContact CB-CE2 3.98Å; E60-F118 HydrophobicContact CG-CE2 4.24Å; K116-F118 HydrophobicContact CB-CE2 3.73Å; K116-F118 HydrophobicContact CB-CZ 4.06Å; K116-F118 WeakPolarHBondContact O-CD2 3.45Å; K116-F118 WeakPolarHBondContact O-CE2 3.36Å; F118-G120 PolarHBondContact O-N 3.45Å
119Q94.3Very high92.8Very high89 Ų8940.2 Ų40.242%0.41619%0.193SC..  trans-61.4-19.4-172.2-63.2167.4-86.200113.9Y28Y28-Q119 VanDerWaalsContact CD2-O 3.32Å; Y28-Q119 WeakPolarHBondContact CD2-O 3.39Å
120G96Very high92.6Very high0 Ų040.8 Ų40.80%020%0.196CC..EExtended strand (participates in β ladder)trans94.9-131.1175.400000112.1T25 Y32 F57 H58 F118T25-G120 WeakPolarHBondContact OG1-CA 3.26Å; Y32-G120 VanDerWaalsContact CD1-CA 3.44Å; F57-G120 CarbonylContact C-O 3.56Å; H58-G120 CarbonylContact C-O 3.59Å; H58-G120 PolarHBondContact N-O 3.43Å; H58-G120 WeakPolarHBondContact O-CA 3.48Å; H58-G120 PolarHBondContact O-N 3.43Å; F118-G120 PolarHBondContact O-N 3.45Å
121F97.2Very high92.3Very high0 Ų050.4 Ų50.40%023%0.232CC..EExtended strand (participates in β ladder)trans-145.7158.6171.560.8-103.7000111.6F23 A24 T25 F40 W54 D56 F57 V73 F110F23-F121 HydrophobicContact CD2-CD2 4.38Å; F23-F121 AromaticContact CD2-CE2 3.8Å; F23-F121 HydrophobicContact CD2-CE2 3.8Å; F23-F121 HydrophobicContact CE2-CD2 4.02Å; F23-F121 AromaticContact CE2-CE2 3.64Å; F23-F121 HydrophobicContact CE2-CE2 3.64Å; A24-F121 CarbonylContact C-O 3.52Å; A24-F121 WeakPolarHBondContact CA-O 3.47Å; A24-F121 VanDerWaalsContact CB-O 3.3Å; A24-F121 WeakPolarHBondContact CB-O 3.39Å; T25-F121 HydrophobicContact CG2-CD1 3.41Å; T25-F121 VanDerWaalsContact CG2-CD1 3.41Å; T25-F121 HydrophobicContact CG2-CD2 4.33Å; T25-F121 HydrophobicContact CG2-CE1 3.31Å; T25-F121 HydrophobicContact CG2-CE2 4.25Å; T25-F121 HydrophobicContact CG2-CG 3.93Å; T25-F121 HydrophobicContact CG2-CZ 3.77Å; T25-F121 PolarHBondContact N-O 3.17Å; T25-F121 PolarHBondContact OG1-N 3.02Å; T25-F121 PolarHBondContact OG1-O 3.4Å; F40-F121 HydrophobicContact CD2-CZ 4.32Å; F40-F121 HydrophobicContact CE2-CE2 4.23Å; F40-F121 AromaticContact CE2-CZ 3.7Å; F40-F121 HydrophobicContact CE2-CZ 3.7Å; F40-F121 HydrophobicContact CZ-CE2 4.36Å; F40-F121 HydrophobicContact CZ-CZ 4.15Å; W54-F121 HydrophobicContact CE3-CB 4.45Å; W54-F121 HydrophobicContact CE3-CD2 4.47Å; W54-F121 HydrophobicContact CZ3-CB 4.33Å; W54-F121 AromaticContact CZ3-CD2 3.79Å; W54-F121 HydrophobicContact CZ3-CD2 3.79Å; W54-F121 HydrophobicContact CZ3-CE2 4.25Å; W54-F121 AromaticContact CZ3-CG 3.98Å; W54-F121 HydrophobicContact CZ3-CG 3.98Å; D56-F121 VanDerWaalsContact O-CA 3.26Å; D56-F121 WeakPolarHBondContact O-CA 3.39Å; D56-F121 VanDerWaalsContact O-CB 3.32Å; D56-F121 WeakPolarHBondContact O-CB 3.33Å; F57-F121 HydrophobicContact CD2-CB 3.7Å; F57-F121 HydrophobicContact CD2-CG 4.41Å; F57-F121 HydrophobicContact CE2-CB 4.37Å; F57-F121 HydrophobicContact CE2-CD1 4.39Å; F57-F121 HydrophobicContact CG-CB 4.44Å; V73-F121 HydrophobicContact CG2-CD1 3.39Å; V73-F121 HydrophobicContact CG2-CE1 3.14Å; V73-F121 HydrophobicContact CG2-CG 4.4Å; V73-F121 HydrophobicContact CG2-CZ 3.99Å; F110-F121 HydrophobicContact CB-CE1 3.88Å; F110-F121 HydrophobicContact CB-CZ 4.07Å; F110-F121 AromaticContact CD2-CE1 3.84Å; F110-F121 HydrophobicContact CD2-CE1 3.84Å; F110-F121 AromaticContact CG-CE1 3.92Å; F110-F121 HydrophobicContact CG-CE1 3.92Å; F110-F121 HydrophobicContact CG-CZ 4.46Å
122S97.8Very high92.1Very high15 Ų1554.5 Ų54.511%0.10525%0.251CS..EExtended strand (participates in β ladder)trans-137.9154164.666.30000110.6F23 Y28 S55 D56F23-S122 CarbonylContact O-C 3.55Å; F23-S122 WeakPolarHBondContact O-CA 3.49Å; Y28-S122 VanDerWaalsContact CZ-CB 3.48Å; Y28-S122 PolarHBondContact OH-OG 2.92Å; S55-S122 WeakPolarHBondContact CA-O 3.45Å; S55-S122 WeakPolarHBondContact CB-O 3.46Å; S55-S122 PolarHBondContact N-O 2.87Å; D56-S122 PolarHBondContact N-O 3.08Å; D56-S122 PolarHBondContact N-OG 3.43Å; D56-S122 PolarHBondContact O-N 2.83Å
123G97.4Very high92.1Very high1 Ų154.8 Ų54.81%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-162.6173.9178.300000113.2T22 F23 V53T22-G123 VanDerWaalsContact CA-O 3.3Å; T22-G123 WeakPolarHBondContact CA-O 3.42Å; F23-G123 WeakPolarHBondContact CD1-O 3.43Å; F23-G123 VanDerWaalsContact CE1-C 3.43Å; F23-G123 PolarHBondContact N-O 3.04Å; F23-G123 PolarHBondContact O-N 2.96Å; V53-G123 CarbonylContact O-C 3.51Å; V53-G123 WeakPolarHBondContact O-CA 3.15Å
124I98Very high92.3Very high71 Ų7160 Ų6036%0.36428%0.276SS..EExtended strand (participates in β ladder)trans-113134.1176.5-62.1169.9000108G21 T22 I52 V53 M126G21-I124 CarbonylContact O-C 3.59Å; G21-I124 WeakPolarHBondContact O-CA 3.33Å; T22-I124 HydrophobicContact CG2-CG1 4.23Å; I52-I124 WeakPolarHBondContact CA-O 3.29Å; V53-I124 PolarHBondContact N-O 2.57Å; V53-I124 PolarHBondContact O-N 3.46Å; I124-M126 HydrophobicContact CG2-CG 4.33Å
125Y98Very high92.7Very high17 Ų1753.3 Ų53.37%0.06725%0.249CC..EExtended strand (participates in β ladder)trans-107.4150.8168.672.2-92.3000110.4Y13 N20 G21 F23 F42 W51 F127Y13-Y125 HydrophobicContact CD1-CD1 4.17Å; Y13-Y125 AromaticContact CD1-CE1 3.32Å; Y13-Y125 HydrophobicContact CD1-CE1 3.32Å; Y13-Y125 HydrophobicContact CD1-CE2 4.46Å; Y13-Y125 AromaticContact CD1-CZ 3.51Å; Y13-Y125 WeakPolarHBondContact CD1-OH 3.03Å; Y13-Y125 HydrophobicContact CE1-CD1 4.44Å; Y13-Y125 AromaticContact CE1-CE1 3.68Å; Y13-Y125 HydrophobicContact CE1-CE1 3.68Å; Y13-Y125 HydrophobicContact CG-CD1 4.27Å; Y13-Y125 AromaticContact CG-CE1 3.79Å; Y13-Y125 HydrophobicContact CG-CE1 3.79Å; Y13-Y125 HydrophobicContact CG-CE2 4.47Å; Y13-Y125 AromaticContact CG-CZ 3.91Å; N20-Y125 WeakPolarHBondContact CA-O 3.45Å; N20-Y125 VanDerWaalsContact CB-O 3.29Å; N20-Y125 WeakPolarHBondContact CB-O 3.38Å; N20-Y125 PolarHBondContact O-OH 3.18Å; G21-Y125 VanDerWaalsContact C-CD1 3.49Å; G21-Y125 VanDerWaalsContact CA-CE1 3.44Å; G21-Y125 PolarHBondContact N-O 3.23Å; G21-Y125 VanDerWaalsContact N-O 3.09Å; G21-Y125 WeakPolarHBondContact O-CD1 3.42Å; G21-Y125 PolarHBondContact O-N 3.15Å; F23-Y125 HydrophobicContact CD1-CD1 4.46Å; F42-Y125 HydrophobicContact CD1-CD1 4.13Å; F42-Y125 HydrophobicContact CD1-CD2 4.14Å; F42-Y125 AromaticContact CD1-CG 3.69Å; F42-Y125 HydrophobicContact CD1-CG 3.69Å; F42-Y125 AromaticContact CE1-CD1 3.65Å; F42-Y125 HydrophobicContact CE1-CD1 3.65Å; F42-Y125 HydrophobicContact CE1-CD2 4.47Å; F42-Y125 AromaticContact CE1-CG 3.63Å; F42-Y125 HydrophobicContact CE1-CG 3.63Å; W51-Y125 CarbonylContact O-C 3.59Å; W51-Y125 WeakPolarHBondContact O-CA 3.14Å; Y125-F127 HydrophobicContact CD2-CD2 4.01Å; Y125-F127 AromaticContact CD2-CE2 3.62Å; Y125-F127 HydrophobicContact CD2-CE2 3.62Å; Y125-F127 HydrophobicContact CD2-CZ 4.09Å; Y125-F127 AromaticContact CE2-CD2 3.88Å; Y125-F127 HydrophobicContact CE2-CD2 3.88Å; Y125-F127 AromaticContact CE2-CE2 3.42Å; Y125-F127 HydrophobicContact CE2-CE2 3.42Å; Y125-F127 VanDerWaalsContact CE2-CE2 3.42Å; Y125-F127 HydrophobicContact CE2-CZ 4.23Å
126M97.9Very high93.6Very high70 Ų7054.3 Ų54.335%0.34525%0.254SS..EExtended strand (participates in β ladder)trans-139.4134.3176.2-59.2176.767.900109.9N20 W51 I124 I128N20-M126 HydrophobicContact CB-CG 4.05Å; W51-M126 HydrophobicContact CB-CB 4.4Å; W51-M126 PolarHBondContact N-O 3.37Å; W51-M126 PolarHBondContact O-N 2.03Å; I124-M126 HydrophobicContact CG2-CG 4.33Å; M126-I128 HydrophobicContact CB-CD1 4.26Å; M126-I128 HydrophobicContact CB-CG1 3.88Å; M126-I128 HydrophobicContact CE-CD1 4.05Å; M126-I128 HydrophobicContact CE-CG1 4.22Å
127F98.1Very high94.3Very high6 Ų653.8 Ų53.83%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-104.586.2169.8-60.6-65.8000108.7Y13 A18 A19 F42 R43 G44 Q48 V49 V50 Y125Y13-F127 WeakPolarHBondContact O-CZ 3.16Å; A18-F127 WeakPolarHBondContact O-CD2 3.02Å; A19-F127 PolarHBondContact O-N 3.34Å; F42-F127 HydrophobicContact CB-CE1 3.97Å; F42-F127 HydrophobicContact CB-CZ 4.04Å; R43-F127 VanDerWaalsContact C-CE1 3.45Å; G44-F127 VanDerWaalsContact N-CE1 3.34Å; Q48-F127 HydrophobicContact CB-CB 4.38Å; Q48-F127 HydrophobicContact CG-CB 4.47Å; Q48-F127 PolarHBondContact NE2-O 3.01Å; V49-F127 WeakPolarHBondContact O-CA 3.15Å; V50-F127 HydrophobicContact CG1-CE1 4.35Å; V50-F127 HydrophobicContact CG2-CD1 3.97Å; V50-F127 HydrophobicContact CG2-CE1 3.82Å; Y125-F127 HydrophobicContact CD2-CD2 4.01Å; Y125-F127 AromaticContact CD2-CE2 3.62Å; Y125-F127 HydrophobicContact CD2-CE2 3.62Å; Y125-F127 HydrophobicContact CD2-CZ 4.09Å; Y125-F127 AromaticContact CE2-CD2 3.88Å; Y125-F127 HydrophobicContact CE2-CD2 3.88Å; Y125-F127 AromaticContact CE2-CE2 3.42Å; Y125-F127 HydrophobicContact CE2-CE2 3.42Å; Y125-F127 VanDerWaalsContact CE2-CE2 3.42Å; Y125-F127 HydrophobicContact CE2-CZ 4.23Å
128I96.2Very high95Very high22 Ų2252.3 Ų52.311%0.11325%0.252CS..EExtended strand (participates in β ladder)trans-84.6139.4-173.9-55.7-178.6000108.7Q48 V49 W51 M126 E132 V133Q48-I128 CarbonylContact C-O 3.6Å; Q48-I128 WeakPolarHBondContact CA-O 3.1Å; V49-I128 HydrophobicContact CG2-CB 4.25Å; V49-I128 PolarHBondContact N-O 3.17Å; V49-I128 PolarHBondContact O-N 2.99Å; V49-I128 VanDerWaalsContact O-N 3.08Å; W51-I128 HydrophobicContact CB-CD1 4.28Å; W51-I128 HydrophobicContact CD2-CD1 3.51Å; W51-I128 HydrophobicContact CE3-CD1 3.34Å; W51-I128 HydrophobicContact CG-CD1 3.94Å; W51-I128 HydrophobicContact CH2-CD1 4.44Å; W51-I128 HydrophobicContact CZ3-CD1 3.84Å; M126-I128 HydrophobicContact CB-CD1 4.26Å; M126-I128 HydrophobicContact CB-CG1 3.88Å; M126-I128 HydrophobicContact CE-CD1 4.05Å; M126-I128 HydrophobicContact CE-CG1 4.22Å; I128-E132 HydrophobicContact CG2-CB 3.91Å; I128-V133 HydrophobicContact CG2-CG2 4.11Å
129N94.6Very high95.2Very high32 Ų3256.7 Ų56.717%0.17127%0.267CS..EExtended strand (participates in β ladder)trans-67.3137.9174.1-178.8-79.5000109.3D47 R131 E132 V133D47-N129 PolarHBondContact OD2-ND2 3.31Å; N129-R131 PolarHBondContact O-N 3.14Å; N129-R131 VanDerWaalsContact OD1-CB 3.23Å; N129-R131 WeakPolarHBondContact OD1-CB 3.47Å; N129-R131 WeakPolarHBondContact OD1-CG 3.4Å; N129-R131 PolarHBondContact OD1-N 2.71Å; N129-E132 HydrophobicContact CB-CG 4.09Å; N129-E132 PolarHBondContact N-OE2 3.34Å; N129-E132 VanDerWaalsContact N-OE2 3.08Å; N129-E132 WeakPolarHBondContact O-CB 3.48Å; N129-E132 PolarHBondContact O-N 2.6Å; N129-V133 PolarHBondContact O-N 2.8Å
130E91.7Very high95.3Very high19 Ų1953.9 Ų53.99%0.08925%0.253CS..THydrogen-bonded Turntrans-57.3-30.1-175.7171.7154.6-155.100113.3D47 V49 R80 M102 E132 V133 R183 Y216 R256D47-E130 PolarHBondContact O-N 3.08Å; V49-E130 HydrophobicContact CG1-CB 4.44Å; R80-E130 IonicContact NH2-OE2 3.68Å; R80-E130 PolarHBondContact NH2-OE2 2.95Å; M102-E130 HydrophobicContact CE-CG 4.12Å; M102-E130 WeakPolarHBondContact CE-OE1 3.4Å; E130-E132 VanDerWaalsContact C-N 3.33Å; E130-E132 PolarHBondContact O-N 2.67Å; E130-V133 WeakPolarHBondContact O-CB 3.38Å; E130-V133 PolarHBondContact O-N 2.92Å; E130-R183 PolarHBondContact O-NH1 3.13Å; E130-R183 PolarHBondContact O-NH2 3.12Å; E130-Y216 VanDerWaalsContact OE1-CE1 3.28Å; E130-Y216 WeakPolarHBondContact OE1-CE1 3.35Å; E130-Y216 PolarHBondContact OE1-OH 3.25Å; E130-Y216 VanDerWaalsContact OE1-OH 3.07Å; E130-Y216 WeakPolarHBondContact OE2-CE1 3.49Å; E130-Y216 VanDerWaalsContact OE2-CZ 3.29Å; E130-Y216 PolarHBondContact OE2-OH 3.25Å; E130-R256 WeakPolarHBondContact OE1-CD 3.31Å; E130-R256 IonicContact OE1-CZ 3.21Å; E130-R256 IonicContact OE1-NE 2.68Å; E130-R256 IonicContact OE1-NH1 3.21Å; E130-R256 PolarHBondContact OE1-NH1 3.4Å
131R90.5Very high95.2Very high202 Ų20257.2 Ų57.276%0.76227%0.274SS*.THydrogen-bonded Turntrans-67.7-32.8177.4-58.9176.6177.9-178.6-1.1112.3N129 R183N129-R131 PolarHBondContact O-N 3.14Å; N129-R131 VanDerWaalsContact OD1-CB 3.23Å; N129-R131 WeakPolarHBondContact OD1-CB 3.47Å; N129-R131 WeakPolarHBondContact OD1-CG 3.4Å; N129-R131 PolarHBondContact OD1-N 2.71Å; R131-R183 PolarHBondContact O-NH1 2.76Å
132E92.7Very high95Very high122 Ų12261.3 Ų61.357%0.5732%0.316SS*.THydrogen-bonded Turntrans-74.7-26.1-179.2-63.4160.3-176.500112.6I128 N129 E130 Q134I128-E132 HydrophobicContact CG2-CB 3.91Å; N129-E132 HydrophobicContact CB-CG 4.09Å; N129-E132 PolarHBondContact N-OE2 3.34Å; N129-E132 VanDerWaalsContact N-OE2 3.08Å; N129-E132 WeakPolarHBondContact O-CB 3.48Å; N129-E132 PolarHBondContact O-N 2.6Å; E130-E132 VanDerWaalsContact C-N 3.33Å; E130-E132 PolarHBondContact O-N 2.67Å; E132-Q134 PolarHBondContact O-N 2.91Å; E132-Q134 PolarHBondContact O-NE2 2.8Å
133V93.1Very high94.8Very high7 Ų765.7 Ų65.74%0.04233%0.334CS..PPolyproline II helixtrans-56.5122.4178.5174.30000109.7V49 W51 M102 I128 N129 E130 R183V49-V133 HydrophobicContact CG2-CG2 3.62Å; W51-V133 HydrophobicContact CZ2-CG1 4.11Å; W51-V133 HydrophobicContact CZ2-CG2 4.46Å; M102-V133 HydrophobicContact SD-CG1 4.13Å; I128-V133 HydrophobicContact CG2-CG2 4.11Å; N129-V133 PolarHBondContact O-N 2.8Å; E130-V133 WeakPolarHBondContact O-CB 3.38Å; E130-V133 PolarHBondContact O-N 2.92Å; V133-R183 VanDerWaalsContact O-CZ 3.31Å; V133-R183 PolarHBondContact O-NH1 3.47Å; V133-R183 PolarHBondContact O-NH2 2.91Å
134Q93Very high94.5Very high126 Ų12672.2 Ų72.259%0.58938%0.379SS*.PPolyproline II helixtrans-80.9159.4178.5-63.8-56.3-49.100112.4E132E132-Q134 PolarHBondContact O-N 2.91Å; E132-Q134 PolarHBondContact O-NE2 2.8Å
135P92.4Very high94.3Very high25 Ų2572.9 Ų72.916%0.16238%0.384CS..PPolyproline II helixtrans-61.5152.5171.3-21.735.3000112G153 F154 I181P135-G153 WeakPolarHBondContact CG-O 3.35Å; P135-F154 HydrophobicContact CG-CD1 4.02Å; P135-F154 HydrophobicContact CG-CD2 3.94Å; P135-F154 HydrophobicContact CG-CE1 3.93Å; P135-F154 HydrophobicContact CG-CE2 3.85Å; P135-F154 HydrophobicContact CG-CG 4.03Å; P135-F154 HydrophobicContact CG-CZ 3.85Å; P135-I181 HydrophobicContact CB-CB 4.43Å; P135-I181 HydrophobicContact CB-CG1 3.86Å; P135-I181 HydrophobicContact CG-CB 4.4Å; P135-I181 HydrophobicContact CG-CG1 4.28Å
136P92Very high94.1Very high54 Ų5472.7 Ų72.735%0.35138%0.384SS..PPolyproline II helixtrans-58.9148.3170.6-20.732.4000111.6S138 N179P136-S138 PolarHBondContact O-N 2.77Å; P136-N179 HydrophobicContact CB-CB 3.89Å; P136-N179 HydrophobicContact CG-CB 4.35Å; P136-N179 WeakPolarHBondContact O-CB 3.41Å
137I94.1Very high93.8Very high136 Ų13673.6 Ų73.670%0.69739%0.387SS*.PPolyproline II helixtrans-58.3132.9-179.9-62.9173.5000109.5N179I137-N179 PolarHBondContact O-ND2 2.84Å
138S96.8Very high93.4Very high19 Ų1977.5 Ų77.513%0.13342%0.416CS..PPolyproline II helixtrans-99.3150.4171.9-61.40000110.9P136 G152 E177 N179P136-S138 PolarHBondContact O-N 2.77Å; S138-G152 WeakPolarHBondContact OG-CA 3.49Å; S138-E177 CarbonylContact C-O 3.56Å; S138-E177 WeakPolarHBondContact CA-O 3.36Å; S138-E177 WeakPolarHBondContact CB-O 3.47Å; S138-N179 PolarHBondContact OG-N 3Å; S138-N179 PolarHBondContact OG-O 2.58Å
139R97.2Very high93.1Very high157 Ų15779.9 Ų79.959%0.59243%0.428SS*.BIsolated β-bridgetrans-126.5131.8-178.6-59.7179-177.4-83.6-2.1109.4E177R139-E177 HydrophobicContact CB-CB 4.21Å; R139-E177 PolarHBondContact N-O 2.85Å; R139-E177 PolarHBondContact O-N 2.92Å
140Y96.5Very high92.9Very high31 Ų3180.2 Ų80.212%0.12244%0.439CS..  trans-145.6125.9174.4-171.4-75.2000108.8G142 K143 I149 C151 P166 E167 P173 V176Y140-G142 PolarHBondContact O-N 3.47Å; Y140-K143 HydrophobicContact CD1-CB 3.97Å; Y140-K143 HydrophobicContact CD1-CG 3.39Å; Y140-K143 HydrophobicContact CE1-CG 3.88Å; Y140-K143 HydrophobicContact CG-CB 4.45Å; Y140-K143 HydrophobicContact CG-CG 4.21Å; Y140-K143 PolarHBondContact O-N 3.35Å; Y140-K143 VanDerWaalsContact O-N 3.14Å; Y140-I149 HydrophobicContact CD1-CD1 3.97Å; Y140-I149 HydrophobicContact CD2-CD1 3.85Å; Y140-I149 HydrophobicContact CE1-CD1 3.88Å; Y140-I149 HydrophobicContact CE2-CD1 3.74Å; Y140-I149 HydrophobicContact CG-CD1 3.95Å; Y140-C151 HydrophobicContact CD2-CB 4.38Å; Y140-P166 HydrophobicContact CD2-CB 4.41Å; Y140-P166 HydrophobicContact CD2-CG 4.4Å; Y140-P166 HydrophobicContact CE2-CB 3.65Å; Y140-P166 HydrophobicContact CE2-CG 4.11Å; Y140-E167 PolarHBondContact OH-OE1 2.68Å; Y140-E167 VanDerWaalsContact OH-OE1 3.11Å; Y140-P173 HydrophobicContact CE2-CG 3.86Å; Y140-P173 WeakPolarHBondContact OH-CG 3.43Å; Y140-V176 HydrophobicContact CD2-CG1 4.22Å; Y140-V176 HydrophobicContact CD2-CG2 3.92Å; Y140-V176 HydrophobicContact CE2-CG2 4.14Å
141P94.5Very high93.1Very high69 Ų6979.3 Ų79.345%0.44843%0.434SS..THydrogen-bonded Turntrans-55.2126.4-177.5-28.536.5000113.1K143 A174 D175P141-K143 VanDerWaalsContact C-N 3.33Å; P141-K143 PolarHBondContact O-N 3Å; P141-A174 WeakPolarHBondContact CG-O 3.47Å; P141-D175 HydrophobicContact CG-CB 4.15Å
142G93.3Very high93.3Very high86 Ų8669.7 Ų69.789%0.88740%0.399SS*.THydrogen-bonded Turntrans73.613179.300000116.1Y140Y140-G142 PolarHBondContact O-N 3.47Å
143K93.1Very high93.5Very high108 Ų10864.5 Ų64.547%0.4738%0.378SS..  trans-125.3117.8174.4-59-68.8-179.8-179.10111.2Y140 P141 I149Y140-K143 HydrophobicContact CD1-CB 3.97Å; Y140-K143 HydrophobicContact CD1-CG 3.39Å; Y140-K143 HydrophobicContact CE1-CG 3.88Å; Y140-K143 HydrophobicContact CG-CB 4.45Å; Y140-K143 HydrophobicContact CG-CG 4.21Å; Y140-K143 PolarHBondContact O-N 3.35Å; Y140-K143 VanDerWaalsContact O-N 3.14Å; P141-K143 VanDerWaalsContact C-N 3.33Å; P141-K143 PolarHBondContact O-N 3Å; K143-I149 HydrophobicContact CD-CD1 4.47Å; K143-I149 HydrophobicContact CG-CD1 3.97Å
144S91.6Very high93.6Very high137 Ų13767.9 Ų67.996%0.95839%0.392SS*.SBendtrans-72.3-26.8176.250.40000113.5
145N92.8Very high93.7Very high86 Ų8662.9 Ų62.946%0.4637%0.372SS..  trans-127.991.6172.6179.64.1000109.5H147 S148N145-H147 VanDerWaalsContact C-N 3.25Å; N145-H147 PolarHBondContact O-N 2.84Å; N145-H147 WeakPolarHBondContact OD1-CB 3.4Å; N145-H147 PolarHBondContact OD1-N 2.9Å; N145-S148 PolarHBondContact O-N 3.48Å; N145-S148 PolarHBondContact O-OG 2.92Å
146P93.5Very high93.6Very high13 Ų1368.7 Ų68.78%0.08440%0.397CS..G310 helixtrans-64.3-25179.5-26.237.7000114.4S148 I149 C151P146-S148 VanDerWaalsContact C-N 3.26Å; P146-S148 PolarHBondContact O-N 2.91Å; P146-I149 WeakPolarHBondContact O-CG1 3.21Å; P146-I149 PolarHBondContact O-N 2.85Å; P146-I149 VanDerWaalsContact O-N 3.14Å; P146-C151 CarbonylContact C-O 3.6Å; P146-C151 VanDerWaalsContact C-O 3.3Å; P146-C151 HydrophobicContact CB-CB 3.77Å; P146-C151 WeakPolarHBondContact O-CB 3.5Å; P146-C151 PolarHBondContact O-N 2.8Å
147H91.3Very high93.6Very high88 Ų8868.4 Ų68.441%0.40740%0.404SS..G310 helixtrans-64-30-179.7-179.360.3000112.4N145 I149 G150 C151 G152N145-H147 VanDerWaalsContact C-N 3.25Å; N145-H147 PolarHBondContact O-N 2.84Å; N145-H147 WeakPolarHBondContact OD1-CB 3.4Å; N145-H147 PolarHBondContact OD1-N 2.9Å; H147-I149 PolarHBondContact O-N 2.86Å; H147-I149 VanDerWaalsContact O-N 3.14Å; H147-G150 PolarHBondContact O-N 2.85Å; H147-C151 PolarHBondContact N-O 2.98Å; H147-G152 PolarHBondContact ND1-O 2.95Å
148S90.2Very high93.5Very high89 Ų8966.9 Ų66.962%0.62240%0.401SS*.G310 helixtrans-69.3-8.6177.669.30000114.7N145 P146N145-S148 PolarHBondContact O-N 3.48Å; N145-S148 PolarHBondContact O-OG 2.92Å; P146-S148 VanDerWaalsContact C-N 3.26Å; P146-S148 PolarHBondContact O-N 2.91Å
149I89.9Confident93.4Very high71 Ų7169.7 Ų69.736%0.36441%0.41SS..G310 helixtrans-115.319.9169.362.5163.7000112.3Y140 K143 P146 H147 C151Y140-I149 HydrophobicContact CD1-CD1 3.97Å; Y140-I149 HydrophobicContact CD2-CD1 3.85Å; Y140-I149 HydrophobicContact CE1-CD1 3.88Å; Y140-I149 HydrophobicContact CE2-CD1 3.74Å; Y140-I149 HydrophobicContact CG-CD1 3.95Å; K143-I149 HydrophobicContact CD-CD1 4.47Å; K143-I149 HydrophobicContact CG-CD1 3.97Å; P146-I149 WeakPolarHBondContact O-CG1 3.21Å; P146-I149 PolarHBondContact O-N 2.85Å; P146-I149 VanDerWaalsContact O-N 3.14Å; H147-I149 PolarHBondContact O-N 2.86Å; H147-I149 VanDerWaalsContact O-N 3.14Å; I149-C151 VanDerWaalsContact C-N 3.31Å; I149-C151 HydrophobicContact CG1-CB 4.42Å; I149-C151 PolarHBondContact O-N 2.88Å
150G90.6Very high93.3Very high39 Ų3962.7 Ų62.740%0.40239%0.386SS..THydrogen-bonded Turntrans79.61178.700000115.6H147 G152 W180H147-G150 PolarHBondContact O-N 2.85Å; G150-G152 PolarHBondContact O-N 3.17Å; G150-W180 WeakPolarHBondContact O-CZ2 3.47Å; G150-W180 PolarHBondContact O-NE1 2.89Å
151C96Very high93.3Very high0 Ų061.8 Ų61.80%039%0.387CS..SBendtrans-82.798.3178.9177.30000111.1Y140 P146 H147 I149 P166 C178Y140-C151 HydrophobicContact CD2-CB 4.38Å; P146-C151 CarbonylContact C-O 3.6Å; P146-C151 VanDerWaalsContact C-O 3.3Å; P146-C151 HydrophobicContact CB-CB 3.77Å; P146-C151 WeakPolarHBondContact O-CB 3.5Å; P146-C151 PolarHBondContact O-N 2.8Å; H147-C151 PolarHBondContact N-O 2.98Å; I149-C151 VanDerWaalsContact C-N 3.31Å; I149-C151 HydrophobicContact CG1-CB 4.42Å; I149-C151 PolarHBondContact O-N 2.88Å; C151-P166 HydrophobicContact CB-CG 4.4Å; C151-C178 VanDerWaalsContact CA-SG 3.57Å; C151-C178 HydrophobicContact CB-CB 4.1Å; C151-C178 WeakPolarHBondContact CB-SG 3.35Å; C151-C178 VanDerWaalsContact SG-CA 3.53Å; C151-C178 WeakPolarHBondContact SG-CB 3.34Å; C151-C178 CovalentContact SG-SG 2.04Å; C151-C178 PolarHBondContact SG-SG 3.11Å
152G95.7Very high93.4Very high1 Ų160.6 Ų60.61%0.0138%0.378CS..SBendtrans76.9-169.4178.300000115.1S138 H147 G150 N179 W180S138-G152 WeakPolarHBondContact OG-CA 3.49Å; H147-G152 PolarHBondContact ND1-O 2.95Å; G150-G152 PolarHBondContact O-N 3.17Å; G152-N179 CarbonylContact C-O 3.38Å; G152-N179 WeakPolarHBondContact CA-O 3.28Å; G152-W180 VanDerWaalsContact CA-CD1 3.44Å
153G95.7Very high93.6Very high13 Ų1356.7 Ų56.713%0.13434%0.337CS..EExtended strand (participates in β ladder)trans100.6-150.9-176.400000112.6P135 N179 W180 I181P135-G153 WeakPolarHBondContact CG-O 3.35Å; G153-N179 PolarHBondContact N-O 2.92Å; G153-W180 CarbonylContact O-C 3.58Å; G153-W180 VanDerWaalsContact O-CA 3.28Å; G153-W180 WeakPolarHBondContact O-CA 3.01Å; G153-I181 PolarHBondContact O-N 3.02Å
154F95.4Very high93.8Very high77 Ų7755.3 Ų55.334%0.33833%0.331SS..EExtended strand (participates in β ladder)trans-81.4145.6163.3-69.5-68.9000109.4P135 I181P135-F154 HydrophobicContact CG-CD1 4.02Å; P135-F154 HydrophobicContact CG-CD2 3.94Å; P135-F154 HydrophobicContact CG-CE1 3.93Å; P135-F154 HydrophobicContact CG-CE2 3.85Å; P135-F154 HydrophobicContact CG-CG 4.03Å; P135-F154 HydrophobicContact CG-CZ 3.85Å; F154-I181 WeakPolarHBondContact CA-O 3.44Å; F154-I181 HydrophobicContact CD1-CB 4.04Å; F154-I181 HydrophobicContact CD1-CG2 4.09Å; F154-I181 HydrophobicContact CE1-CB 4.17Å; F154-I181 HydrophobicContact CE1-CG2 3.97Å
155A95.3Very high94Very high21 Ų2148.9 Ų48.917%0.17429%0.286CS..PPolyproline II helixtrans-65149.1173.400000111I163 I181 I182 W288A155-I163 HydrophobicContact CB-CD1 4.22Å; A155-I181 PolarHBondContact N-O 3.23Å; A155-I182 HydrophobicContact CB-CB 4.36Å; A155-I182 HydrophobicContact CB-CG1 3.62Å; A155-W288 HydrophobicContact CB-CZ2 4.47Å
156Q91.3Very high94.1Very high147 Ų14745.3 Ų45.369%0.68727%0.267SS*.SBendtrans-87.1143174.8-66.5179.9-9.200110.1W288Q156-W288 WeakPolarHBondContact O-CZ2 3.11Å; Q156-W288 PolarHBondContact O-NE1 2.84Å; Q156-W288 VanDerWaalsContact O-NE1 3.17Å
157G90.2Very high94Very high48 Ų4850.1 Ų50.150%0.49529%0.288SS..  trans117.4151.1-174.600000112.8G160G157-G160 VanDerWaalsContact CA-O 3.24Å; G157-G160 WeakPolarHBondContact CA-O 3.07Å
158T92.2Very high94.1Very high105 Ų10548.5 Ų48.564%0.64428%0.279SS*.SBendtrans-93.1-52.8176.5-50.40000110.7
159Y95.2Very high94.3Very high78 Ų7845.7 Ų45.731%0.30626%0.259SS..SBendtrans-113.5-15-179.6-50.6-63000112.8E290 D325 S327 L328Y159-E290 WeakPolarHBondContact O-CA 3.28Å; Y159-E290 WeakPolarHBondContact O-CB 3.21Å; Y159-E290 PolarHBondContact O-N 2.88Å; Y159-D325 HydrophobicContact CD1-CB 4.37Å; Y159-D325 HydrophobicContact CD2-CB 3.73Å; Y159-D325 VanDerWaalsContact CD2-CG 3.47Å; Y159-D325 WeakPolarHBondContact CD2-OD1 3.21Å; Y159-D325 HydrophobicContact CE2-CB 4.35Å; Y159-D325 HydrophobicContact CG-CB 3.72Å; Y159-S327 WeakPolarHBondContact CD2-OG 3.39Å; Y159-L328 WeakPolarHBondContact O-CD1 3.34Å
160G96.1Very high94.3Very high10 Ų1046.5 Ų46.510%0.10326%0.261CS..EExtended strand (participates in β ladder)trans-167.7166.3177.300000110.2G157 W288G157-G160 VanDerWaalsContact CA-O 3.24Å; G157-G160 WeakPolarHBondContact CA-O 3.07Å; G160-W288 CarbonylContact C-O 3.57Å; G160-W288 WeakPolarHBondContact CA-O 3.15Å
161G96Very high94.4Very high12 Ų1246.5 Ų46.512%0.12425%0.252CS..EExtended strand (participates in β ladder)trans172-169.5-179.300000113.8V287 W288G161-V287 WeakPolarHBondContact O-CA 3.45Å; G161-W288 PolarHBondContact N-O 3.32Å; G161-W288 PolarHBondContact O-N 3.24Å
162V96.7Very high94.3Very high43 Ų4346.6 Ų46.626%0.26125%0.252SS..EExtended strand (participates in β ladder)trans-130.4138.8-168.2-63.40000112.9K164 Y285 L286 V287 I333V162-K164 VanDerWaalsContact CG2-CE 3.44Å; V162-Y285 HydrophobicContact CB-CE1 4.08Å; V162-Y285 HydrophobicContact CG1-CE1 3.59Å; V162-L286 CarbonylContact C-O 3.58Å; V162-L286 VanDerWaalsContact CA-O 3.3Å; V162-L286 WeakPolarHBondContact CA-O 3.04Å; V162-V287 HydrophobicContact CG1-CG2 4.29Å; V162-I333 HydrophobicContact CG1-CD1 3.85Å
163I97.4Very high94.3Very high5 Ų547.7 Ų47.73%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-120.8131.8171.8-54-178.8000107.7A155 W180 I182 V259 F284 L286A155-I163 HydrophobicContact CB-CD1 4.22Å; I163-W180 HydrophobicContact CD1-CB 3.92Å; I163-W180 HydrophobicContact CD1-CD2 4.39Å; I163-W180 HydrophobicContact CD1-CG 4.01Å; I163-W180 HydrophobicContact CG2-CD2 3.59Å; I163-W180 VanDerWaalsContact CG2-CE2 3.45Å; I163-W180 HydrophobicContact CG2-CE3 3.84Å; I163-W180 HydrophobicContact CG2-CG 4.16Å; I163-W180 HydrophobicContact CG2-CH2 3.82Å; I163-W180 HydrophobicContact CG2-CZ2 3.59Å; I163-W180 HydrophobicContact CG2-CZ3 3.94Å; I163-I182 HydrophobicContact CD1-CD1 4.16Å; I163-I182 HydrophobicContact CD1-CG1 4.26Å; I163-V259 HydrophobicContact CD1-CB 4.43Å; I163-V259 HydrophobicContact CD1-CG2 4.22Å; I163-F284 HydrophobicContact CG2-CE2 4.08Å; I163-F284 HydrophobicContact CG2-CZ 4.29Å; I163-F284 WeakPolarHBondContact O-CE2 3.3Å; I163-L286 HydrophobicContact CB-CB 4.35Å; I163-L286 HydrophobicContact CB-CD2 4.06Å; I163-L286 HydrophobicContact CD1-CD2 4.21Å; I163-L286 HydrophobicContact CG1-CD2 4.16Å; I163-L286 PolarHBondContact N-O 2.85Å; I163-L286 WeakPolarHBondContact O-CB 3.46Å; I163-L286 PolarHBondContact O-N 2.76Å
164K96.5Very high94.3Very high79 Ų7948.5 Ų48.534%0.34326%0.264SS..EExtended strand (participates in β ladder)trans-128.9146.5-175.2-51.9178.3-169.6-176.80108V162 Y168 F284 Y285V162-K164 VanDerWaalsContact CG2-CE 3.44Å; K164-Y168 HydrophobicContact CB-CD1 4.24Å; K164-Y168 HydrophobicContact CB-CG 4.16Å; K164-Y168 HydrophobicContact CD-CD1 3.94Å; K164-Y168 HydrophobicContact CD-CE1 4.34Å; K164-Y168 HydrophobicContact CG-CD1 4.42Å; K164-F284 WeakPolarHBondContact CA-O 3.19Å; K164-Y285 HydrophobicContact CD-CD2 3.97Å; K164-Y285 HydrophobicContact CD-CE2 3.85Å; K164-Y285 VanDerWaalsContact CE-CZ 3.41Å; K164-Y285 HydrophobicContact CG-CD2 4.2Å; K164-Y285 HydrophobicContact CG-CE2 4.45Å; K164-Y285 HydrophobicContact CG-CG 4.48Å; K164-Y285 PolarHBondContact NZ-OH 2.92Å; K164-Y285 VanDerWaalsContact NZ-OH 3.13Å
165S95.8Very high94.3Very high2 Ų250.2 Ų50.21%0.01428%0.277CS..  trans-59.1148.3170.851.50000110.2E167 Y168 G283 F284S165-E167 PolarHBondContact O-N 2.81Å; S165-Y168 WeakPolarHBondContact O-CB 3.48Å; S165-Y168 PolarHBondContact O-N 2.86Å; S165-G283 WeakPolarHBondContact OG-CA 3.38Å; S165-F284 PolarHBondContact N-O 3.01Å; S165-F284 PolarHBondContact OG-N 2.81Å; S165-F284 VanDerWaalsContact OG-N 3.09Å
166P94.9Very high94.4Very high10 Ų1049.3 Ų49.37%0.06527%0.269CS..THydrogen-bonded Turntrans-53.8142.3174.6-2635.3000112.2Y140 C151 Y168 V176 C178Y140-P166 HydrophobicContact CD2-CB 4.41Å; Y140-P166 HydrophobicContact CD2-CG 4.4Å; Y140-P166 HydrophobicContact CE2-CB 3.65Å; Y140-P166 HydrophobicContact CE2-CG 4.11Å; C151-P166 HydrophobicContact CB-CG 4.4Å; P166-Y168 PolarHBondContact O-N 3.37Å; P166-Y168 VanDerWaalsContact O-N 3.16Å; P166-V176 HydrophobicContact CG-CG1 4.26Å; P166-C178 VanDerWaalsContact CG-SG 3.57Å
167E92.4Very high94.7Very high115 Ų11544.3 Ų44.354%0.53725%0.246SC..THydrogen-bonded Turntrans63.21.1-173.8-52.3-169.5-149.600116.2Y140 S165 Q170Y140-E167 PolarHBondContact OH-OE1 2.68Å; Y140-E167 VanDerWaalsContact OH-OE1 3.11Å; S165-E167 PolarHBondContact O-N 2.81Å; E167-Q170 HydrophobicContact CB-CB 4.07Å; E167-Q170 WeakPolarHBondContact O-CA 3.3Å; E167-Q170 WeakPolarHBondContact O-CB 3.41Å; E167-Q170 PolarHBondContact O-N 2.75Å
168Y93.5Very high95.1Very high53 Ų5342 Ų4221%0.20822%0.222CC..THydrogen-bonded Turntrans-46.7135.6177.1171.2-82.7000112.7K164 S165 P166 Q170 D196 A281 F284 Y285K164-Y168 HydrophobicContact CB-CD1 4.24Å; K164-Y168 HydrophobicContact CB-CG 4.16Å; K164-Y168 HydrophobicContact CD-CD1 3.94Å; K164-Y168 HydrophobicContact CD-CE1 4.34Å; K164-Y168 HydrophobicContact CG-CD1 4.42Å; S165-Y168 WeakPolarHBondContact O-CB 3.48Å; S165-Y168 PolarHBondContact O-N 2.86Å; P166-Y168 PolarHBondContact O-N 3.37Å; P166-Y168 VanDerWaalsContact O-N 3.16Å; Y168-Q170 VanDerWaalsContact C-N 3.35Å; Y168-D196 HydrophobicContact CE2-CB 4.36Å; Y168-D196 PolarHBondContact OH-OD2 3.3Å; Y168-A281 HydrophobicContact CD2-CB 4.46Å; Y168-A281 HydrophobicContact CE2-CB 3.62Å; Y168-F284 WeakPolarHBondContact CD2-O 3.34Å; Y168-Y285 HydrophobicContact CD1-CD2 4.47Å; Y168-Y285 AromaticContact CE1-CD2 3.69Å; Y168-Y285 HydrophobicContact CE1-CD2 3.69Å; Y168-Y285 HydrophobicContact CE1-CE2 4.26Å; Y168-Y285 HydrophobicContact CE2-CD2 4.4Å; Y168-Y285 AromaticContact CZ-CD2 3.66Å
169P92.7Very high95.3Very high30 Ų3037.2 Ų37.220%0.19519%0.193CC..THydrogen-bonded Turncis-88.722.43.933.6-33.7000114.6R275 A281 I282P169-R275 WeakPolarHBondContact O-CD 3.06Å; P169-R275 PolarHBondContact O-NE 2.96Å; P169-R275 PolarHBondContact O-NH2 3.3Å; P169-A281 HydrophobicContact CB-CB 3.65Å; P169-I282 PolarHBondContact O-N 3.45Å
170Q90.5Very high95.4Very high89 Ų8934 Ų3442%0.41618%0.18SC..SBendtrans-82.1177.8174.7-126.584.6-25.900112.1E167 Y168 Y172E167-Q170 HydrophobicContact CB-CB 4.07Å; E167-Q170 WeakPolarHBondContact O-CA 3.3Å; E167-Q170 WeakPolarHBondContact O-CB 3.41Å; E167-Q170 PolarHBondContact O-N 2.75Å; Y168-Q170 VanDerWaalsContact C-N 3.35Å; Q170-Y172 PolarHBondContact O-N 2.71Å
171N92.3Very high95.4Very high39 Ų3933.7 Ų33.721%0.20918%0.176CC..PPolyproline II helixtrans-63.2129.6174.6-69.264000111.3A267 I282N171-A267 HydrophobicContact CB-CB 3.94Å; N171-A267 PolarHBondContact ND2-O 3.5Å; N171-I282 WeakPolarHBondContact OD1-CD1 3.41Å
172Y94.6Very high95.4Very high2 Ų233.1 Ų33.11%0.00817%0.17CC..PPolyproline II helixtrans-76.5152.4172.658.4-101.5000112Q170 L199 T200 A208 F261 T263 A266 A267 I282Q170-Y172 PolarHBondContact O-N 2.71Å; Y172-L199 HydrophobicContact CD1-CD2 3.97Å; Y172-L199 HydrophobicContact CE1-CD2 3.51Å; Y172-T200 WeakPolarHBondContact OH-CB 3.49Å; Y172-T200 PolarHBondContact OH-N 2.8Å; Y172-T200 PolarHBondContact OH-OG1 3.22Å; Y172-A208 HydrophobicContact CE2-CB 3.88Å; Y172-A208 VanDerWaalsContact OH-CB 3.23Å; Y172-A208 WeakPolarHBondContact OH-CB 3.42Å; Y172-F261 HydrophobicContact CD1-CZ 4.16Å; Y172-F261 HydrophobicContact CD2-CE1 4.5Å; Y172-F261 AromaticContact CD2-CZ 3.99Å; Y172-F261 HydrophobicContact CD2-CZ 3.99Å; Y172-F261 HydrophobicContact CE2-CZ 4.43Å; Y172-F261 HydrophobicContact CG-CE1 4.3Å; Y172-F261 AromaticContact CG-CZ 3.84Å; Y172-F261 HydrophobicContact CG-CZ 3.84Å; Y172-T263 HydrophobicContact CD2-CG2 3.59Å; Y172-T263 HydrophobicContact CE2-CG2 3.71Å; Y172-A266 WeakPolarHBondContact O-CA 3.38Å; Y172-A267 HydrophobicContact CD1-CB 3.84Å; Y172-A267 HydrophobicContact CD2-CB 4.18Å; Y172-A267 HydrophobicContact CE1-CB 3.6Å; Y172-A267 HydrophobicContact CE2-CB 3.98Å; Y172-A267 HydrophobicContact CG-CB 4.12Å; Y172-A267 PolarHBondContact O-N 2.9Å; Y172-A267 VanDerWaalsContact O-N 3.07Å; Y172-I282 HydrophobicContact CD1-CG2 4.34Å; Y172-I282 HydrophobicContact CE1-CG2 4.41Å
173P95.4Very high95.3Very high24 Ų2433.7 Ų33.716%0.15617%0.167CC..PPolyproline II helixtrans-78.6168-179.2-8.324000114.7Y140 V176 T263Y140-P173 HydrophobicContact CE2-CG 3.86Å; Y140-P173 WeakPolarHBondContact OH-CG 3.43Å; P173-V176 HydrophobicContact CB-CG2 3.85Å; P173-V176 HydrophobicContact CG-CG2 3.98Å; P173-T263 PolarHBondContact O-OG1 3.09Å
174A95.8Very high95.2Very high29 Ų2934.2 Ų34.224%0.2417%0.171CC..SBendtrans-76163.3165.900000111.7P141 V176 A266P141-A174 WeakPolarHBondContact CG-O 3.47Å; A174-V176 PolarHBondContact O-N 3.03Å; A174-V176 VanDerWaalsContact O-N 3.13Å; A174-A266 HydrophobicContact CB-CB 4.16Å
175D96.2Very high95Very high114 Ų11436 Ų3661%0.6118%0.175SC*.SBendtrans53.133.2172-57.4-54000115P141 T263P141-D175 HydrophobicContact CG-CB 4.15Å; D175-T263 WeakPolarHBondContact CA-O 3.49Å; D175-T263 PolarHBondContact N-O 3.41Å; D175-T263 PolarHBondContact N-OG1 3.1Å
176V96.7Very high94.6Very high2 Ų240.6 Ų40.61%0.01221%0.208CC..  trans-93.8139.7175.7175.90000110.1Y140 P166 P173 A174 C178 F261 K262 T263Y140-V176 HydrophobicContact CD2-CG1 4.22Å; Y140-V176 HydrophobicContact CD2-CG2 3.92Å; Y140-V176 HydrophobicContact CE2-CG2 4.14Å; P166-V176 HydrophobicContact CG-CG1 4.26Å; P173-V176 HydrophobicContact CB-CG2 3.85Å; P173-V176 HydrophobicContact CG-CG2 3.98Å; A174-V176 PolarHBondContact O-N 3.03Å; A174-V176 VanDerWaalsContact O-N 3.13Å; V176-C178 WeakPolarHBondContact CG1-SG 3.3Å; V176-F261 HydrophobicContact CG1-CD1 4.4Å; V176-K262 CarbonylContact O-C 3.55Å; V176-K262 VanDerWaalsContact O-CA 3.31Å; V176-K262 WeakPolarHBondContact O-CA 3.31Å; V176-T263 PolarHBondContact N-OG1 2.96Å; V176-T263 VanDerWaalsContact N-OG1 3.11Å; V176-T263 PolarHBondContact O-N 2.92Å
177E97.4Very high94.4Very high42 Ų4244.3 Ų44.320%0.19623%0.227CC..EExtended strand (participates in β ladder)trans-136.595.5165.5-166.4-171.6157.100109.2S138 R139 N179 R260 F261S138-E177 CarbonylContact C-O 3.56Å; S138-E177 WeakPolarHBondContact CA-O 3.36Å; S138-E177 WeakPolarHBondContact CB-O 3.47Å; R139-E177 HydrophobicContact CB-CB 4.21Å; R139-E177 PolarHBondContact N-O 2.85Å; R139-E177 PolarHBondContact O-N 2.92Å; E177-N179 PolarHBondContact OE1-ND2 3.38Å; E177-R260 HydrophobicContact CG-CG 4.4Å; E177-F261 CarbonylContact C-O 3.3Å; E177-F261 WeakPolarHBondContact CA-O 3.3Å
178C98Very high94.4Very high0 Ų040.2 Ų40.20%021%0.208CC..EExtended strand (participates in β ladder)trans-95.7122.8175.8-55.30000109.7C151 P166 V176 W180 R260 F261C151-C178 VanDerWaalsContact CA-SG 3.57Å; C151-C178 HydrophobicContact CB-CB 4.1Å; C151-C178 WeakPolarHBondContact CB-SG 3.35Å; C151-C178 VanDerWaalsContact SG-CA 3.53Å; C151-C178 WeakPolarHBondContact SG-CB 3.34Å; C151-C178 CovalentContact SG-SG 2.04Å; C151-C178 PolarHBondContact SG-SG 3.11Å; P166-C178 VanDerWaalsContact CG-SG 3.57Å; V176-C178 WeakPolarHBondContact CG1-SG 3.3Å; C178-W180 HydrophobicContact CB-CD2 4.46Å; C178-W180 HydrophobicContact CB-CE3 4.09Å; C178-W180 HydrophobicContact CB-CH2 3.27Å; C178-W180 HydrophobicContact CB-CZ2 3.68Å; C178-W180 HydrophobicContact CB-CZ3 3.5Å; C178-W180 VanDerWaalsContact CB-CZ3 3.5Å; C178-R260 CarbonylContact O-C 3.44Å; C178-R260 WeakPolarHBondContact O-CA 3.12Å; C178-F261 HydrophobicContact CB-CB 4.47Å; C178-F261 PolarHBondContact N-O 2.83Å; C178-F261 PolarHBondContact O-N 3.07Å
179N97Very high94.4Very high3 Ų340.1 Ų40.12%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-116.8106.3-178.2-78.5-59.7000109.7P136 I137 S138 G152 G153 E177 H258 R260P136-N179 HydrophobicContact CB-CB 3.89Å; P136-N179 HydrophobicContact CG-CB 4.35Å; P136-N179 WeakPolarHBondContact O-CB 3.41Å; I137-N179 PolarHBondContact O-ND2 2.84Å; S138-N179 PolarHBondContact OG-N 3Å; S138-N179 PolarHBondContact OG-O 2.58Å; G152-N179 CarbonylContact C-O 3.38Å; G152-N179 WeakPolarHBondContact CA-O 3.28Å; G153-N179 PolarHBondContact N-O 2.92Å; E177-N179 PolarHBondContact OE1-ND2 3.38Å; N179-H258 PolarHBondContact OD1-NE2 2.93Å; N179-R260 WeakPolarHBondContact OD1-CB 3.43Å; N179-R260 WeakPolarHBondContact OD1-CD 3.26Å; N179-R260 WeakPolarHBondContact OD1-CG 3.34Å
180W97.4Very high94.6Very high11 Ų1138.7 Ų38.74%0.04220%0.2CC..EExtended strand (participates in β ladder)trans-103.8139.1176.2-58.3-94.9000111.5G150 G152 G153 I163 C178 H258 V259 F261 F284G150-W180 WeakPolarHBondContact O-CZ2 3.47Å; G150-W180 PolarHBondContact O-NE1 2.89Å; G152-W180 VanDerWaalsContact CA-CD1 3.44Å; G153-W180 CarbonylContact O-C 3.58Å; G153-W180 VanDerWaalsContact O-CA 3.28Å; G153-W180 WeakPolarHBondContact O-CA 3.01Å; I163-W180 HydrophobicContact CD1-CB 3.92Å; I163-W180 HydrophobicContact CD1-CD2 4.39Å; I163-W180 HydrophobicContact CD1-CG 4.01Å; I163-W180 HydrophobicContact CG2-CD2 3.59Å; I163-W180 VanDerWaalsContact CG2-CE2 3.45Å; I163-W180 HydrophobicContact CG2-CE3 3.84Å; I163-W180 HydrophobicContact CG2-CG 4.16Å; I163-W180 HydrophobicContact CG2-CH2 3.82Å; I163-W180 HydrophobicContact CG2-CZ2 3.59Å; I163-W180 HydrophobicContact CG2-CZ3 3.94Å; C178-W180 HydrophobicContact CB-CD2 4.46Å; C178-W180 HydrophobicContact CB-CE3 4.09Å; C178-W180 HydrophobicContact CB-CH2 3.27Å; C178-W180 HydrophobicContact CB-CZ2 3.68Å; C178-W180 HydrophobicContact CB-CZ3 3.5Å; C178-W180 VanDerWaalsContact CB-CZ3 3.5Å; W180-H258 WeakPolarHBondContact O-CA 3.06Å; W180-H258 PolarHBondContact O-CD2 3.07Å; W180-V259 HydrophobicContact CB-CB 4.41Å; W180-V259 HydrophobicContact CE3-CB 4.3Å; W180-V259 HydrophobicContact CE3-CG1 4.08Å; W180-V259 HydrophobicContact CZ3-CG1 4.47Å; W180-V259 PolarHBondContact N-O 2.69Å; W180-V259 PolarHBondContact O-N 3.22Å; W180-F261 HydrophobicContact CH2-CB 4.06Å; W180-F261 HydrophobicContact CZ3-CB 3.7Å; W180-F284 HydrophobicContact CH2-CZ 4.05Å; W180-F284 HydrophobicContact CZ3-CZ 4.18Å
181I96.1Very high94.8Very high3 Ų334.7 Ų34.72%0.01518%0.181CC..EExtended strand (participates in β ladder)trans-108.3124167.5-64.1-59.3000109.1P135 G153 F154 A155 R183 R256 H258P135-I181 HydrophobicContact CB-CB 4.43Å; P135-I181 HydrophobicContact CB-CG1 3.86Å; P135-I181 HydrophobicContact CG-CB 4.4Å; P135-I181 HydrophobicContact CG-CG1 4.28Å; G153-I181 PolarHBondContact O-N 3.02Å; F154-I181 WeakPolarHBondContact CA-O 3.44Å; F154-I181 HydrophobicContact CD1-CB 4.04Å; F154-I181 HydrophobicContact CD1-CG2 4.09Å; F154-I181 HydrophobicContact CE1-CB 4.17Å; F154-I181 HydrophobicContact CE1-CG2 3.97Å; A155-I181 PolarHBondContact N-O 3.23Å; I181-R183 HydrophobicContact CG2-CG 3.88Å; I181-R256 HydrophobicContact CG2-CG 4.42Å; I181-H258 HydrophobicContact CD1-CB 3.65Å
182I97Very high94.9Very high1 Ų132.9 Ų32.91%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-97.8133.1166.9-53.7158.1000106.9A155 I163 I190 I192 R256 I257 V259 W288A155-I182 HydrophobicContact CB-CB 4.36Å; A155-I182 HydrophobicContact CB-CG1 3.62Å; I163-I182 HydrophobicContact CD1-CD1 4.16Å; I163-I182 HydrophobicContact CD1-CG1 4.26Å; I182-I190 HydrophobicContact CB-CD1 4Å; I182-I190 HydrophobicContact CD1-CG2 4.46Å; I182-I190 HydrophobicContact CG2-CD1 3.63Å; I182-I190 HydrophobicContact CG2-CG1 4.19Å; I182-I190 HydrophobicContact CG2-CG2 4.06Å; I182-I192 HydrophobicContact CD1-CD1 3.6Å; I182-R256 WeakPolarHBondContact O-CA 3.44Å; I182-R256 WeakPolarHBondContact O-CG 3.25Å; I182-I257 HydrophobicContact CB-CB 4.4Å; I182-I257 HydrophobicContact CD1-CB 4.3Å; I182-I257 HydrophobicContact CD1-CG2 4.15Å; I182-I257 PolarHBondContact N-O 2.82Å; I182-I257 PolarHBondContact O-N 2.96Å; I182-V259 HydrophobicContact CD1-CG2 3.93Å; I182-W288 HydrophobicContact CD1-CB 3.75Å; I182-W288 HydrophobicContact CD1-CG 3.9Å; I182-W288 HydrophobicContact CG1-CD2 4.48Å; I182-W288 HydrophobicContact CG1-CG 4.26Å; I182-W288 HydrophobicContact CG2-CD2 3.66Å; I182-W288 HydrophobicContact CG2-CE3 3.52Å; I182-W288 HydrophobicContact CG2-CG 4.2Å; I182-W288 HydrophobicContact CG2-CH2 4.33Å; I182-W288 HydrophobicContact CG2-CZ2 4.44Å; I182-W288 HydrophobicContact CG2-CZ3 3.89Å
183R94.6Very high94.9Very high54 Ų5433.4 Ų33.420%0.20417%0.173CC..EExtended strand (participates in β ladder)trans-136.9131.7173.4-78.2178-170.7149.712.1109.4E130 R131 V133 I181 N255 R256E130-R183 PolarHBondContact O-NH1 3.13Å; E130-R183 PolarHBondContact O-NH2 3.12Å; R131-R183 PolarHBondContact O-NH1 2.76Å; V133-R183 VanDerWaalsContact O-CZ 3.31Å; V133-R183 PolarHBondContact O-NH1 3.47Å; V133-R183 PolarHBondContact O-NH2 2.91Å; I181-R183 HydrophobicContact CG2-CG 3.88Å; R183-N255 WeakPolarHBondContact CA-O 3.38Å; R183-R256 HydrophobicContact CG-CB 4.45Å; R183-R256 HydrophobicContact CG-CG 4.02Å; R183-R256 VanDerWaalsContact NH2-CZ 3.3Å
184V94.4Very high94.8Very high16 Ų1632.3 Ų32.310%0.09717%0.166CC..  trans-121.2-178176.2-63.30000110K188 I190 N255 W288 E290V184-K188 HydrophobicContact CB-CB 4.49Å; V184-K188 HydrophobicContact CG2-CB 3.92Å; V184-I190 HydrophobicContact CB-CG1 4.28Å; V184-I190 HydrophobicContact CG1-CD1 4.3Å; V184-I190 HydrophobicContact CG1-CG1 3.77Å; V184-I190 HydrophobicContact CG2-CD1 4.07Å; V184-I190 HydrophobicContact CG2-CG1 3.5Å; V184-I190 VanDerWaalsContact CG2-CG1 3.5Å; V184-N255 HydrophobicContact CG2-CB 3.67Å; V184-N255 PolarHBondContact N-O 3.13Å; V184-N255 PolarHBondContact O-ND2 3.47Å; V184-W288 HydrophobicContact CG1-CE3 4.44Å; V184-W288 HydrophobicContact CG1-CZ3 3.71Å; V184-E290 HydrophobicContact CB-CB 4.22Å; V184-E290 HydrophobicContact CB-CG 3.81Å; V184-E290 WeakPolarHBondContact CB-OE2 3.38Å; V184-E290 HydrophobicContact CG1-CB 3.79Å; V184-E290 HydrophobicContact CG1-CG 3.98Å; V184-E290 HydrophobicContact CG2-CG 4.28Å
185R91.9Very high94.6Very high116 Ų11633.2 Ų33.244%0.43817%0.167SC..  trans-63.7149.6179.5-61.1176.3-70.3154.2-21.4111.6D187 K188 N255 E290R185-D187 WeakPolarHBondContact CB-OD1 3.44Å; R185-D187 IonicContact NH1-OD2 2.94Å; R185-D187 PolarHBondContact O-N 3.34Å; R185-D187 VanDerWaalsContact O-N 3.09Å; R185-K188 HydrophobicContact CB-CG 4.13Å; R185-K188 VanDerWaalsContact NH2-CE 3.32Å; R185-K188 WeakPolarHBondContact O-CB 3.19Å; R185-K188 PolarHBondContact O-N 3.24Å; R185-N255 WeakPolarHBondContact O-CB 3.47Å; R185-E290 WeakPolarHBondContact CG-OE2 3.01Å; R185-E290 IonicContact CZ-OE1 3.8Å; R185-E290 PolarHBondContact N-OE2 2.61Å; R185-E290 VanDerWaalsContact N-OE2 3.09Å; R185-E290 IonicContact NE-OE1 3.06Å; R185-E290 PolarHBondContact NE-OE1 3.08Å; R185-E290 IonicContact NE-OE2 2.85Å; R185-E290 PolarHBondContact NE-OE2 3.07Å; R185-E290 IonicContact NH2-OE1 3.62Å; R185-E290 PolarHBondContact NH2-OE1 3.06Å
186S88.8Confident94.4Very high99 Ų9930.5 Ų30.569%0.69215%0.152SC*.THydrogen-bonded Turntrans-65-15.4-171.144.40000115.3
187D89.5Confident94.2Very high89 Ų8930.7 Ų30.748%0.47615%0.153SC..THydrogen-bonded Turntrans-88-2.617357.1-63.1000113.8R185R185-D187 WeakPolarHBondContact CB-OD1 3.44Å; R185-D187 IonicContact NH1-OD2 2.94Å; R185-D187 PolarHBondContact O-N 3.34Å; R185-D187 VanDerWaalsContact O-N 3.09Å
188K92.8Very high94.1Very high29 Ų2929.9 Ų29.913%0.12615%0.15CC..  trans-116.9161.2-170.5-57.3-59.5-172.9-155.10113.4V184 R185 R254 N255 E290 S292V184-K188 HydrophobicContact CB-CB 4.49Å; V184-K188 HydrophobicContact CG2-CB 3.92Å; R185-K188 HydrophobicContact CB-CG 4.13Å; R185-K188 VanDerWaalsContact NH2-CE 3.32Å; R185-K188 WeakPolarHBondContact O-CB 3.19Å; R185-K188 PolarHBondContact O-N 3.24Å; K188-R254 CarbonylContact O-C 3.45Å; K188-N255 WeakPolarHBondContact O-CA 3.49Å; K188-N255 VanDerWaalsContact O-CB 3.27Å; K188-N255 WeakPolarHBondContact O-CB 3.15Å; K188-N255 PolarHBondContact O-N 2.9Å; K188-E290 HydrophobicContact CB-CG 3.58Å; K188-E290 HydrophobicContact CD-CG 4.39Å; K188-E290 HydrophobicContact CG-CG 3.66Å; K188-S292 VanDerWaalsContact NZ-CB 3.35Å; K188-S292 PolarHBondContact NZ-OG 3.21Å
189Q93.7Very high93.9Very high51 Ų5129.9 Ų29.924%0.23815%0.15CC..EExtended strand (participates in β ladder)trans-112.3168.9170.7-69-179.5-4300109.8M251 S252 D253 V291Q189-M251 HydrophobicContact CB-SD 4.09Å; Q189-S252 PolarHBondContact NE2-O 3.05Å; Q189-D253 PolarHBondContact NE2-O 2.04Å; Q189-V291 HydrophobicContact CB-CG2 4.05Å; Q189-V291 PolarHBondContact N-O 3.29Å; Q189-V291 PolarHBondContact O-N 3.2Å
190I96Very high93.7Very high0 Ų030.3 Ų30.30%015%0.152CC..EExtended strand (participates in β ladder)trans-117118.6178.1-57.2159.3000108I182 V184 I192 S252 I257 W288 T289I182-I190 HydrophobicContact CB-CD1 4Å; I182-I190 HydrophobicContact CD1-CG2 4.46Å; I182-I190 HydrophobicContact CG2-CD1 3.63Å; I182-I190 HydrophobicContact CG2-CG1 4.19Å; I182-I190 HydrophobicContact CG2-CG2 4.06Å; V184-I190 HydrophobicContact CB-CG1 4.28Å; V184-I190 HydrophobicContact CG1-CD1 4.3Å; V184-I190 HydrophobicContact CG1-CG1 3.77Å; V184-I190 HydrophobicContact CG2-CD1 4.07Å; V184-I190 HydrophobicContact CG2-CG1 3.5Å; V184-I190 VanDerWaalsContact CG2-CG1 3.5Å; I190-I192 HydrophobicContact CG2-CD1 3.88Å; I190-I192 HydrophobicContact CG2-CG1 4.35Å; I190-S252 PolarHBondContact N-OG 2.6Å; I190-S252 PolarHBondContact O-N 3.01Å; I190-S252 VanDerWaalsContact O-N 3.13Å; I190-S252 PolarHBondContact O-OG 3.01Å; I190-I257 HydrophobicContact CB-CD1 3.75Å; I190-I257 HydrophobicContact CB-CG1 4.18Å; I190-I257 HydrophobicContact CD1-CB 4.18Å; I190-I257 HydrophobicContact CD1-CG1 4.04Å; I190-I257 HydrophobicContact CG2-CD1 3.75Å; I190-I257 HydrophobicContact CG2-CG1 4.42Å; I190-W288 HydrophobicContact CG2-CB 4.27Å; I190-W288 HydrophobicContact CG2-CE3 4.41Å; I190-T289 WeakPolarHBondContact CA-O 3.36Å
191F94.9Very high93.3Very high5 Ų532.9 Ų32.92%0.02217%0.17CC..EExtended strand (participates in β ladder)trans-86143.4165.5-172.2-123.7000109.6K193 Y250 M251 W288 T289 V291 Y322 C336F191-K193 HydrophobicContact CE1-CB 4.06Å; F191-K193 HydrophobicContact CE1-CD 4.23Å; F191-K193 HydrophobicContact CE1-CG 4.46Å; F191-Y250 CarbonylContact C-O 3.48Å; F191-Y250 WeakPolarHBondContact CD2-O 3.42Å; F191-M251 HydrophobicContact CB-CE 3.95Å; F191-M251 HydrophobicContact CB-SD 4.1Å; F191-M251 HydrophobicContact CD2-CE 3.63Å; F191-M251 HydrophobicContact CD2-SD 4.34Å; F191-M251 HydrophobicContact CG-CE 4.11Å; F191-W288 CarbonylContact O-C 3.49Å; F191-W288 VanDerWaalsContact O-CA 3.3Å; F191-W288 WeakPolarHBondContact O-CA 2.99Å; F191-T289 PolarHBondContact N-O 2.91Å; F191-T289 PolarHBondContact O-N 2.89Å; F191-V291 HydrophobicContact CB-CG1 3.94Å; F191-V291 HydrophobicContact CB-CG2 4.22Å; F191-Y322 HydrophobicContact CD1-CE2 4.39Å; F191-Y322 HydrophobicContact CD2-CE2 4.22Å; F191-Y322 HydrophobicContact CE1-CE2 4.38Å; F191-Y322 HydrophobicContact CE2-CE2 4.21Å; F191-Y322 HydrophobicContact CG-CE2 4.31Å; F191-Y322 HydrophobicContact CZ-CE2 4.3Å; F191-C336 WeakPolarHBondContact CE1-O 3.39Å
192I95.7Very high92.6Very high0 Ų033.9 Ų33.90%018%0.182CC..EExtended strand (participates in β ladder)trans-127.9132.3178.8-60.6-67.6000107.6I182 I190 I194 V212 S249 Y250 I257 L286 V287 W288I182-I192 HydrophobicContact CD1-CD1 3.6Å; I190-I192 HydrophobicContact CG2-CD1 3.88Å; I190-I192 HydrophobicContact CG2-CG1 4.35Å; I192-I194 HydrophobicContact CG2-CD1 4.5Å; I192-V212 HydrophobicContact CG1-CG1 4.32Å; I192-S249 CarbonylContact O-C 3.44Å; I192-S249 WeakPolarHBondContact O-CA 3.01Å; I192-S249 WeakPolarHBondContact O-CB 3.46Å; I192-Y250 HydrophobicContact CG1-CD1 4.46Å; I192-Y250 PolarHBondContact N-O 3.31Å; I192-Y250 PolarHBondContact O-N 2.96Å; I192-I257 HydrophobicContact CD1-CD1 3.82Å; I192-I257 HydrophobicContact CD1-CG2 4.5Å; I192-I257 HydrophobicContact CG1-CD1 3.4Å; I192-L286 HydrophobicContact CD1-CD2 4.16Å; I192-L286 HydrophobicContact CG2-CD1 3.75Å; I192-L286 HydrophobicContact CG2-CD2 4.21Å; I192-L286 HydrophobicContact CG2-CG 3.83Å; I192-V287 WeakPolarHBondContact CA-O 3.34Å; I192-W288 HydrophobicContact CD1-CB 3.64Å
193K92.7Very high91.9Very high13 Ų1342.1 Ų42.16%0.05722%0.218CC..EExtended strand (participates in β ladder)trans-135.8121.9-177.7-173179.7-177.4173.30109.6F191 L195 V287 P334 C336 A337F191-K193 HydrophobicContact CE1-CB 4.06Å; F191-K193 HydrophobicContact CE1-CD 4.23Å; F191-K193 HydrophobicContact CE1-CG 4.46Å; K193-L195 HydrophobicContact CD-CD2 4.16Å; K193-L195 HydrophobicContact CG-CD2 4.05Å; K193-V287 HydrophobicContact CB-CB 4.39Å; K193-V287 PolarHBondContact N-O 3.09Å; K193-V287 PolarHBondContact O-N 2.94Å; K193-P334 VanDerWaalsContact CD-O 3.31Å; K193-P334 WeakPolarHBondContact CD-O 3.12Å; K193-P334 WeakPolarHBondContact CE-O 3.36Å; K193-P334 PolarHBondContact NZ-O 3.02Å; K193-C336 WeakPolarHBondContact CD-O 3.19Å; K193-C336 PolarHBondContact NZ-O 2.87Å; K193-A337 WeakPolarHBondContact CE-O 3.31Å; K193-A337 PolarHBondContact NZ-O 3.1Å
194I94.2Very high91.3Very high2 Ų246.1 Ų46.11%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-90.3113176.5-52.3-58.9000109I192 D196 L197 L210 F235 K248 L286I192-I194 HydrophobicContact CG2-CD1 4.5Å; I194-D196 WeakPolarHBondContact CG2-O 3.45Å; I194-L197 HydrophobicContact CG2-CB 3.95Å; I194-L197 HydrophobicContact CG2-CD1 4.49Å; I194-L210 HydrophobicContact CD1-CD2 4Å; I194-F235 HydrophobicContact CG1-CD1 4.32Å; I194-F235 HydrophobicContact CG1-CE1 4.02Å; I194-F235 HydrophobicContact CG1-CE2 4.4Å; I194-F235 HydrophobicContact CG1-CZ 4.07Å; I194-K248 HydrophobicContact CB-CB 4.36Å; I194-K248 WeakPolarHBondContact CG1-O 3.13Å; I194-K248 PolarHBondContact N-O 2.86Å; I194-K248 PolarHBondContact O-NZ 2.89Å; I194-L286 HydrophobicContact CD1-CB 3.83Å; I194-L286 HydrophobicContact CD1-CD1 3.75Å; I194-L286 HydrophobicContact CD1-CG 3.81Å
195L91.1Very high91.2Very high48 Ų4846 Ų4625%0.25124%0.239SC..EExtended strand (participates in β ladder)trans-84.4-55.2177.8-57.9-173.7000110.7K193 Y285 V287 P334K193-L195 HydrophobicContact CD-CD2 4.16Å; K193-L195 HydrophobicContact CG-CD2 4.05Å; L195-Y285 HydrophobicContact CB-CD1 4.3Å; L195-Y285 HydrophobicContact CD1-CD1 3.96Å; L195-Y285 HydrophobicContact CD1-CE1 4.04Å; L195-Y285 HydrophobicContact CG-CD1 4.35Å; L195-Y285 PolarHBondContact N-O 3.38Å; L195-V287 HydrophobicContact CD1-CG2 3.61Å; L195-V287 HydrophobicContact CG-CG2 3.9Å; L195-P334 HydrophobicContact CD1-CG 4.21Å; L195-P334 HydrophobicContact CD2-CG 4.03Å
196D92.7Very high91.1Very high56 Ų5645 Ų4530%0.29924%0.239SC..EExtended strand (participates in β ladder)trans-111138174.7-80.1-5.8000110.9Y168 I194 A281 F284 Y285Y168-D196 HydrophobicContact CE2-CB 4.36Å; Y168-D196 PolarHBondContact OH-OD2 3.3Å; I194-D196 WeakPolarHBondContact CG2-O 3.45Å; D196-A281 VanDerWaalsContact OD2-CB 3.29Å; D196-A281 WeakPolarHBondContact OD2-CB 3.26Å; D196-F284 VanDerWaalsContact O-CA 3.27Å; D196-F284 WeakPolarHBondContact O-CA 3.45Å; D196-Y285 PolarHBondContact O-N 2.97Å
197L93.3Very high91.3Very high7 Ų741.5 Ų41.54%0.03721%0.213CC..EExtended strand (participates in β ladder)trans-143.1112.7168.5-171.269.9000112I194 L199 F235 E238 E239 Y242 F284I194-L197 HydrophobicContact CG2-CB 3.95Å; I194-L197 HydrophobicContact CG2-CD1 4.49Å; L197-L199 HydrophobicContact CD1-CD1 3.91Å; L197-L199 HydrophobicContact CD1-CG 3.91Å; L197-F235 HydrophobicContact CD1-CB 4.16Å; L197-F235 HydrophobicContact CD2-CB 3.98Å; L197-F235 HydrophobicContact CD2-CD1 4.49Å; L197-E238 CarbonylContact O-C 3.43Å; L197-E239 HydrophobicContact CB-CB 4.29Å; L197-E239 PolarHBondContact O-N 3.06Å; L197-Y242 HydrophobicContact CD2-CD2 3.66Å; L197-Y242 HydrophobicContact CD2-CE2 3.36Å; L197-F284 HydrophobicContact CD1-CB 4.05Å
198Q93.4Very high91.6Very high25 Ų2537.3 Ų37.312%0.11719%0.19CC..EExtended strand (participates in β ladder)trans-144.575.2175.2-177.160.851.200109.2E238 M271 A281 G283Q198-E238 PolarHBondContact NE2-OE1 2.84Å; Q198-E238 PolarHBondContact OE1-OE1 2.71Å; Q198-M271 HydrophobicContact CG-SD 4.42Å; Q198-A281 WeakPolarHBondContact CB-O 3.49Å; Q198-A281 WeakPolarHBondContact CG-O 3.45Å; Q198-G283 CarbonylContact C-O 3.56Å; Q198-G283 PolarHBondContact N-O 3.01Å; Q198-G283 PolarHBondContact O-N 3.28Å
199L94.6Very high91.7Very high0 Ų036.9 Ų36.90%019%0.189CC..PPolyproline II helixtrans-101.7169174-61.2-175.4000111Y172 L197 A208 L210 G237 F261 M271Y172-L199 HydrophobicContact CD1-CD2 3.97Å; Y172-L199 HydrophobicContact CE1-CD2 3.51Å; L197-L199 HydrophobicContact CD1-CD1 3.91Å; L197-L199 HydrophobicContact CD1-CG 3.91Å; L199-A208 HydrophobicContact CB-CB 4.31Å; L199-L210 HydrophobicContact CD1-CB 4.22Å; L199-G237 PolarHBondContact N-O 2.84Å; L199-G237 CarbonylContact O-C 3.6Å; L199-G237 VanDerWaalsContact O-CA 3.25Å; L199-G237 WeakPolarHBondContact O-CA 3.32Å; L199-F261 HydrophobicContact CD1-CE2 4Å; L199-F261 HydrophobicContact CD2-CE2 3.69Å; L199-F261 HydrophobicContact CD2-CZ 4.07Å; L199-M271 WeakPolarHBondContact O-CE 3.43Å
200T92.8Very high91.9Very high11 Ų1134.5 Ų34.57%0.06718%0.177CC..PPolyproline II helixtrans-71126.4173.5-61.50000109.7Y172 D207 P268Y172-T200 WeakPolarHBondContact OH-CB 3.49Å; Y172-T200 PolarHBondContact OH-N 2.8Å; Y172-T200 PolarHBondContact OH-OG1 3.22Å; T200-D207 HydrophobicContact CG2-CB 3.78Å; T200-P268 WeakPolarHBondContact OG1-CD 3.28Å
201P88.3Confident91.8Very high65 Ų6534.5 Ų34.542%0.42218%0.177SC..PPolyproline II helixtrans-73.8142.2173.930.8-33.7000110.5
202G83.3Confident91.9Very high25 Ų2534.2 Ų34.226%0.25818%0.176SC..  trans-152.2157.1173.100000109.3Q204 C205 E206G202-Q204 PolarHBondContact O-N 2.86Å; G202-C205 PolarHBondContact O-N 3.14Å; G202-E206 VanDerWaalsContact C-OE2 3.25Å; G202-E206 WeakPolarHBondContact CA-OE2 3.4Å
203F80.4Confident91.8Very high174 Ų17434.3 Ų34.376%0.76318%0.177SC*.THydrogen-bonded Turntrans-68.1-20.9-174.1-176.7-106.2000112.8E206F203-E206 PolarHBondContact N-OE1 2.83Å; F203-E206 PolarHBondContact N-OE2 2.85Å; F203-E206 VanDerWaalsContact N-OE2 3.12Å
204Q83.3Confident91.8Very high137 Ų13734.2 Ų34.264%0.6418%0.177SC*.THydrogen-bonded Turntrans-124.99.9176.1-55.9-172.6-5.400112.3G202 E206 R234G202-Q204 PolarHBondContact O-N 2.86Å; Q204-E206 VanDerWaalsContact C-N 3.28Å; Q204-E206 WeakPolarHBondContact CA-OE2 3.21Å; Q204-E206 PolarHBondContact N-OE2 2.83Å; Q204-R234 PolarHBondContact O-NH1 3.01Å; Q204-R234 VanDerWaalsContact O-NH1 3.16Å
205C91.4Very high91.6Very high15 Ų1534.4 Ų34.410%0.10118%0.179CC..SBendtrans59.730.1-167.3-53.60000114.6G202 D207 A208 Q209 R234 C236G202-C205 PolarHBondContact O-N 3.14Å; C205-D207 VanDerWaalsContact C-N 3.29Å; C205-D207 PolarHBondContact O-N 3.48Å; C205-A208 CarbonylContact O-C 3.53Å; C205-A208 PolarHBondContact O-N 2.9Å; C205-Q209 HydrophobicContact CB-CB 3.69Å; C205-R234 HydrophobicContact CB-CG 4.37Å; C205-C236 VanDerWaalsContact CA-SG 3.53Å; C205-C236 HydrophobicContact CB-CB 3.46Å; C205-C236 VanDerWaalsContact CB-CB 3.46Å; C205-C236 WeakPolarHBondContact CB-SG 3.47Å; C205-C236 WeakPolarHBondContact SG-CB 3.46Å; C205-C236 CovalentContact SG-SG 2.04Å; C205-C236 PolarHBondContact SG-SG 2.78Å
206E90Very high91.5Very high93 Ų9332.7 Ų32.744%0.43517%0.169SC..  trans-60.7-28-172.460.3-86.1-155.700115.3G202 F203 Q204 T264G202-E206 VanDerWaalsContact C-OE2 3.25Å; G202-E206 WeakPolarHBondContact CA-OE2 3.4Å; F203-E206 PolarHBondContact N-OE1 2.83Å; F203-E206 PolarHBondContact N-OE2 2.85Å; F203-E206 VanDerWaalsContact N-OE2 3.12Å; Q204-E206 VanDerWaalsContact C-N 3.28Å; Q204-E206 WeakPolarHBondContact CA-OE2 3.21Å; Q204-E206 PolarHBondContact N-OE2 2.83Å; E206-T264 WeakPolarHBondContact O-CG2 3.34Å; E206-T264 PolarHBondContact O-OG1 2.03Å
207D92.9Very high91.2Very high27 Ų2730.8 Ų30.814%0.14416%0.161CC..SBendtrans-87.8-39.7-177.5-81.69.7000113.2T200 C205 T263 T264 K265T200-D207 HydrophobicContact CG2-CB 3.78Å; C205-D207 VanDerWaalsContact C-N 3.29Å; C205-D207 PolarHBondContact O-N 3.48Å; D207-T263 WeakPolarHBondContact O-CA 3.39Å; D207-T264 WeakPolarHBondContact CA-OG1 3.29Å; D207-T264 PolarHBondContact O-N 2.84Å; D207-K265 PolarHBondContact O-N 3.43Å; D207-K265 IonicContact OD1-NZ 2.71Å; D207-K265 PolarHBondContact OD1-NZ 3.38Å; D207-K265 WeakPolarHBondContact OD2-CD 3.21Å; D207-K265 IonicContact OD2-NZ 2.63Å; D207-K265 PolarHBondContact OD2-NZ 3.28Å
208A96.2Very high90.8Very high0 Ų031.8 Ų31.80%017%0.165CC..EExtended strand (participates in β ladder)trans-155.5123.2175.500000110Y172 L199 C205 C236 K262 T263Y172-A208 HydrophobicContact CE2-CB 3.88Å; Y172-A208 VanDerWaalsContact OH-CB 3.23Å; Y172-A208 WeakPolarHBondContact OH-CB 3.42Å; L199-A208 HydrophobicContact CB-CB 4.31Å; C205-A208 CarbonylContact O-C 3.53Å; C205-A208 PolarHBondContact O-N 2.9Å; A208-C236 WeakPolarHBondContact O-CB 3.45Å; A208-K262 WeakPolarHBondContact CA-O 3.47Å; A208-T263 HydrophobicContact CB-CG2 4.13Å
209Q95.6Very high90.2Very high21 Ų2133.7 Ų33.710%0.09817%0.172CC..EExtended strand (participates in β ladder)trans-132.9140177.761.8-175.426.300111.1C205 D211 F261 K262C205-Q209 HydrophobicContact CB-CB 3.69Å; Q209-D211 PolarHBondContact NE2-OD2 2.97Å; Q209-D211 VanDerWaalsContact NE2-OD2 3.09Å; Q209-F261 WeakPolarHBondContact O-CA 3.42Å; Q209-F261 WeakPolarHBondContact O-CD2 3.35Å; Q209-K262 HydrophobicContact CG-CB 4.06Å; Q209-K262 PolarHBondContact N-O 2.95Å; Q209-K262 PolarHBondContact O-N 2.86Å
210L97Very high89.1Confident0 Ų034.6 Ų34.60%018%0.177CC..EExtended strand (participates in β ladder)trans-108.5107.4163.6175.164.1000107.4I194 L199 R234 F235 V259 R260 F261 F284 L286I194-L210 HydrophobicContact CD1-CD2 4Å; L199-L210 HydrophobicContact CD1-CB 4.22Å; L210-R234 WeakPolarHBondContact O-CA 3.23Å; L210-F235 HydrophobicContact CB-CB 4.23Å; L210-F235 HydrophobicContact CD2-CD2 4.3Å; L210-F235 HydrophobicContact CG-CD2 4.26Å; L210-F235 PolarHBondContact N-O 2.95Å; L210-F235 WeakPolarHBondContact O-CD2 3.03Å; L210-F235 PolarHBondContact O-N 3.33Å; L210-V259 HydrophobicContact CD1-CG1 3.53Å; L210-R260 WeakPolarHBondContact CA-O 3.49Å; L210-F261 HydrophobicContact CB-CD2 4.43Å; L210-F261 HydrophobicContact CD1-CB 4.29Å; L210-F284 HydrophobicContact CD1-CE1 4Å; L210-F284 HydrophobicContact CD1-CE2 4.19Å; L210-F284 HydrophobicContact CD1-CZ 3.83Å; L210-F284 HydrophobicContact CD2-CB 4.33Å; L210-F284 HydrophobicContact CD2-CD1 4.05Å; L210-F284 HydrophobicContact CD2-CD2 3.79Å; L210-F284 HydrophobicContact CD2-CE1 4.33Å; L210-F284 HydrophobicContact CD2-CE2 4.08Å; L210-F284 HydrophobicContact CD2-CG 3.8Å; L210-F284 HydrophobicContact CD2-CZ 4.35Å; L210-L286 HydrophobicContact CD2-CD1 4.44Å
211D95.1Very high88Confident0 Ų039.9 Ų39.90%021%0.211CC..EExtended strand (participates in β ladder)trans-92.5135.5171.3-60.4-67.9000109.4Q209 F213 R232 R234 R260Q209-D211 PolarHBondContact NE2-OD2 2.97Å; Q209-D211 VanDerWaalsContact NE2-OD2 3.09Å; D211-F213 HydrophobicContact CB-CD2 3.96Å; D211-F213 HydrophobicContact CB-CE2 3.37Å; D211-F213 HydrophobicContact CB-CZ 3.95Å; D211-R232 HydrophobicContact CB-CG 4.33Å; D211-R232 WeakPolarHBondContact OD1-CD 3.37Å; D211-R232 IonicContact OD1-NE 2.76Å; D211-R234 IonicContact OD1-CZ 2.75Å; D211-R234 VanDerWaalsContact OD1-CZ 3.24Å; D211-R234 IonicContact OD1-NE 2.8Å; D211-R234 PolarHBondContact OD1-NE 3.16Å; D211-R234 IonicContact OD1-NH2 3.13Å; D211-R234 PolarHBondContact OD1-NH2 2.69Å; D211-R234 IonicContact OD2-NH2 2.71Å; D211-R260 HydrophobicContact CB-CB 4.4Å; D211-R260 PolarHBondContact N-O 3.08Å; D211-R260 PolarHBondContact O-N 3.44Å; D211-R260 IonicContact OD2-CZ 3.41Å; D211-R260 IonicContact OD2-NE 3.09Å; D211-R260 PolarHBondContact OD2-NE 3.49Å; D211-R260 VanDerWaalsContact OD2-NE 3.14Å; D211-R260 IonicContact OD2-NH2 2.82Å; D211-R260 PolarHBondContact OD2-NH2 2.9Å
212V96Very high87.1Confident0 Ų040.3 Ų40.30%023%0.227CC..EExtended strand (participates in β ladder)trans-117.5114.4167.5177.80000107.4I192 R232 V233 F235 Y250 I257 V259 L286I192-V212 HydrophobicContact CG1-CG1 4.32Å; V212-R232 CarbonylContact O-C 3.58Å; V212-R232 WeakPolarHBondContact O-CA 3.47Å; V212-R232 WeakPolarHBondContact O-CG 3.4Å; V212-V233 PolarHBondContact N-O 3Å; V212-V233 PolarHBondContact O-N 3.23Å; V212-F235 HydrophobicContact CB-CE2 4.41Å; V212-F235 HydrophobicContact CG2-CD2 4.41Å; V212-F235 HydrophobicContact CG2-CE2 3.85Å; V212-Y250 HydrophobicContact CG1-CD1 3.65Å; V212-Y250 HydrophobicContact CG1-CE1 4.17Å; V212-Y250 HydrophobicContact CG1-CG 4.13Å; V212-I257 HydrophobicContact CG1-CG2 3.83Å; V212-V259 HydrophobicContact CG2-CG1 4.47Å; V212-V259 HydrophobicContact CG2-CG2 4.45Å; V212-L286 HydrophobicContact CG2-CD1 4.35Å
213F94Very high86.7Confident2 Ų244.5 Ų44.51%0.00924%0.24CC..EExtended strand (participates in β ladder)trans-106.3145179.2-58.1-102.5000110.8D211 Y219 L227 Q231 R232 H258 R260D211-F213 HydrophobicContact CB-CD2 3.96Å; D211-F213 HydrophobicContact CB-CE2 3.37Å; D211-F213 HydrophobicContact CB-CZ 3.95Å; F213-Y219 HydrophobicContact CD1-CD1 4.46Å; F213-Y219 AromaticContact CD1-CE1 3.83Å; F213-Y219 HydrophobicContact CD1-CE1 3.83Å; F213-Y219 HydrophobicContact CE1-CD1 4.34Å; F213-Y219 AromaticContact CE1-CE1 3.71Å; F213-Y219 HydrophobicContact CE1-CE1 3.71Å; F213-Y219 AromaticContact CE1-CZ 3.95Å; F213-L227 HydrophobicContact CD1-CD1 3.72Å; F213-L227 HydrophobicContact CE1-CD1 3.57Å; F213-Q231 WeakPolarHBondContact CA-O 3.12Å; F213-R232 HydrophobicContact CD1-CB 3.84Å; F213-R232 HydrophobicContact CD1-CG 3.69Å; F213-R232 HydrophobicContact CD2-CG 4.38Å; F213-R232 HydrophobicContact CE1-CB 4.29Å; F213-R232 HydrophobicContact CE1-CG 3.88Å; F213-R232 HydrophobicContact CG-CB 4.35Å; F213-R232 HydrophobicContact CG-CG 3.97Å; F213-R232 HydrophobicContact CZ-CG 4.3Å; F213-H258 HydrophobicContact CB-CB 4.3Å; F213-H258 PolarHBondContact N-O 2.95Å; F213-H258 PolarHBondContact O-N 2.91Å; F213-R260 HydrophobicContact CE2-CB 4.23Å
214D92.1Very high86.5Confident11 Ų1138.4 Ų38.46%0.05921%0.214CC..EExtended strand (participates in β ladder)trans-58.6139.6161.7-174.7-93.8000109.6Y216 A217 Q231 Y250 D253D214-Y216 PolarHBondContact O-N 2.84Å; D214-Y216 WeakPolarHBondContact OD1-CA 3.41Å; D214-Y216 WeakPolarHBondContact OD1-CB 3.32Å; D214-Y216 PolarHBondContact OD1-N 3.24Å; D214-A217 HydrophobicContact CB-CB 4.32Å; D214-A217 WeakPolarHBondContact O-CB 3.06Å; D214-A217 PolarHBondContact O-N 2.72Å; D214-Q231 PolarHBondContact N-O 3.4Å; D214-Y250 WeakPolarHBondContact CB-OH 3.34Å; D214-D253 PolarHBondContact OD2-N 2.74Å
215G90.4Very high86Confident5 Ų535 Ų355%0.05222%0.216CC..THydrogen-bonded Turntrans-61.4-13.9-177.900000115.5M102 R256M102-G215 WeakPolarHBondContact CG-O 3.46Å; G215-R256 VanDerWaalsContact CA-O 3.32Å; G215-R256 WeakPolarHBondContact CA-O 3.49Å; G215-R256 PolarHBondContact N-O 2.85Å
216Y89.6Confident85.3Confident13 Ų1339.2 Ų39.25%0.05125%0.245CC..THydrogen-bonded Turntrans-113.81.9177.9-57.1-72.2000113.3R80 M102 Q103 E130 D214 H218 R254 N255 R256R80-Y216 VanDerWaalsContact NE-CD1 3.32Å; M102-Y216 HydrophobicContact CE-CD1 4.29Å; M102-Y216 HydrophobicContact CE-CE1 4.02Å; Q103-Y216 PolarHBondContact NE2-O 3.04Å; E130-Y216 VanDerWaalsContact OE1-CE1 3.28Å; E130-Y216 WeakPolarHBondContact OE1-CE1 3.35Å; E130-Y216 PolarHBondContact OE1-OH 3.25Å; E130-Y216 VanDerWaalsContact OE1-OH 3.07Å; E130-Y216 WeakPolarHBondContact OE2-CE1 3.49Å; E130-Y216 VanDerWaalsContact OE2-CZ 3.29Å; E130-Y216 PolarHBondContact OE2-OH 3.25Å; D214-Y216 PolarHBondContact O-N 2.84Å; D214-Y216 WeakPolarHBondContact OD1-CA 3.41Å; D214-Y216 WeakPolarHBondContact OD1-CB 3.32Å; D214-Y216 PolarHBondContact OD1-N 3.24Å; Y216-H218 PolarHBondContact O-N 2.99Å; Y216-R254 HydrophobicContact CD2-CB 3.89Å; Y216-R254 HydrophobicContact CD2-CG 4.42Å; Y216-R254 HydrophobicContact CE2-CB 3.52Å; Y216-R254 HydrophobicContact CE2-CG 4.28Å; Y216-N255 PolarHBondContact OH-OD1 3.22Å; Y216-R256 HydrophobicContact CE2-CB 4.17Å
217A86.5Confident84.9Confident16 Ų1635.7 Ų35.713%0.13223%0.23CC..  trans-55.1128.8174.400000110.6D214 Q231D214-A217 HydrophobicContact CB-CB 4.32Å; D214-A217 WeakPolarHBondContact O-CB 3.06Å; D214-A217 PolarHBondContact O-N 2.72Å; A217-Q231 HydrophobicContact CB-CB 4.09Å
218H83.7Confident84.3Confident27 Ų2736.7 Ų36.713%0.12524%0.239CC..  trans-111.4134.1174.1178.762.5000109.8V77 Y216V77-H218 HydrophobicContact CG1-CB 4.45Å; Y216-H218 PolarHBondContact O-N 2.99Å
219Y80.1Confident83.5Confident66 Ų6644.9 Ų44.926%0.25928%0.277SS..  trans-150.5156178.551.5-88.9000109.4F213 E224 L227F213-Y219 HydrophobicContact CD1-CD1 4.46Å; F213-Y219 AromaticContact CD1-CE1 3.83Å; F213-Y219 HydrophobicContact CD1-CE1 3.83Å; F213-Y219 HydrophobicContact CE1-CD1 4.34Å; F213-Y219 AromaticContact CE1-CE1 3.71Å; F213-Y219 HydrophobicContact CE1-CE1 3.71Å; F213-Y219 AromaticContact CE1-CZ 3.95Å; Y219-E224 HydrophobicContact CD2-CG 3.56Å; Y219-E224 HydrophobicContact CE2-CG 3.59Å; Y219-E224 HydrophobicContact CG-CG 4.4Å; Y219-L227 HydrophobicContact CD1-CD1 3.72Å; Y219-L227 HydrophobicContact CD1-CD2 4.35Å; Y219-L227 HydrophobicContact CD1-CG 4.5Å; Y219-L227 HydrophobicContact CE1-CD1 4.33Å; Y219-L227 HydrophobicContact CG-CD1 4.1Å
220N73.1Confident82.9Confident19 Ų1947.3 Ų47.310%0.10230%0.296CS..  trans-87.4151.6173.2-61.5-40000111.1I86 S87 G222 E223I86-N220 PolarHBondContact O-ND2 3.21Å; I86-N220 VanDerWaalsContact O-ND2 3.13Å; S87-N220 WeakPolarHBondContact CA-OD1 3.38Å; S87-N220 WeakPolarHBondContact CB-OD1 3.2Å; S87-N220 PolarHBondContact O-OD1 3.3Å; S87-N220 VanDerWaalsContact O-OD1 3.05Å; S87-N220 PolarHBondContact OG-OD1 3.01Å; N220-G222 PolarHBondContact O-N 2.7Å; N220-G222 VanDerWaalsContact O-N 3.09Å; N220-E223 HydrophobicContact CB-CB 4.08Å; N220-E223 HydrophobicContact CB-CG 4.1Å; N220-E223 WeakPolarHBondContact CB-OE2 3.44Å; N220-E223 PolarHBondContact ND2-OE2 2.78Å; N220-E223 PolarHBondContact O-N 3.47Å
221P68.6Low82.3Confident121 Ų12149.6 Ų49.679%0.78631%0.307SS*.THydrogen-bonded Turntrans-55.8116.5174.3-25.335.1000111.5
222G69.4Low82.1Confident74 Ų7450.8 Ų50.876%0.76331%0.311SS*.THydrogen-bonded Turntrans94.5-21.4-175.300000115N220 E224N220-G222 PolarHBondContact O-N 2.7Å; N220-G222 VanDerWaalsContact O-N 3.09Å; G222-E224 VanDerWaalsContact C-N 3.29Å; G222-E224 PolarHBondContact O-N 2.99Å
223E75.6Confident82Confident113 Ų11352.4 Ų52.453%0.52832%0.321SS..G310 helixtrans-88.65.8176.3-62.4-174.716300113N220 G225 S226N220-E223 HydrophobicContact CB-CB 4.08Å; N220-E223 HydrophobicContact CB-CG 4.1Å; N220-E223 WeakPolarHBondContact CB-OE2 3.44Å; N220-E223 PolarHBondContact ND2-OE2 2.78Å; N220-E223 PolarHBondContact O-N 3.47Å; E223-G225 PolarHBondContact O-N 3.21Å; E223-S226 WeakPolarHBondContact O-CB 3.36Å; E223-S226 PolarHBondContact O-N 2.68Å
224E76.3Confident81.9Confident47 Ų4755.7 Ų55.722%0.2233%0.334CS..G310 helixtrans-46.2-33.5170.9-66.9-177-177.100113Y219 G222 S226 L227 R232 R260Y219-E224 HydrophobicContact CD2-CG 3.56Å; Y219-E224 HydrophobicContact CE2-CG 3.59Å; Y219-E224 HydrophobicContact CG-CG 4.4Å; G222-E224 VanDerWaalsContact C-N 3.29Å; G222-E224 PolarHBondContact O-N 2.99Å; E224-S226 PolarHBondContact O-N 3.31Å; E224-L227 PolarHBondContact O-N 2.04Å; E224-R232 PolarHBondContact O-NH1 2.59Å; E224-R232 PolarHBondContact O-NH2 3Å; E224-R232 VanDerWaalsContact O-NH2 3.16Å; E224-R260 IonicContact OE1-CZ 3.84Å; E224-R260 IonicContact OE1-NH1 3.14Å; E224-R260 PolarHBondContact OE1-NH1 2.95Å; E224-R260 IonicContact OE1-NH2 2.69Å; E224-R260 IonicContact OE2-CZ 3.86Å; E224-R260 IonicContact OE2-NH1 3.58Å; E224-R260 PolarHBondContact OE2-NH1 2.92Å; E224-R260 IonicContact OE2-NH2 2.9Å; E224-R260 PolarHBondContact OE2-NH2 3.09Å
225G72.5Confident82Confident66 Ų6655.1 Ų55.168%0.6833%0.331SS*.G310 helixtrans-60.8-23.7178.200000114.2E223E223-G225 PolarHBondContact O-N 3.21Å
226S77Confident82.2Confident102 Ų10255.5 Ų55.571%0.71333%0.332SS*.G310 helixtrans-90.8-3.6-174.4-164.40000114.8E223 E224E223-S226 WeakPolarHBondContact O-CB 3.36Å; E223-S226 PolarHBondContact O-N 2.68Å; E224-S226 PolarHBondContact O-N 3.31Å
227L80.2Confident82.4Confident19 Ų1954.9 Ų54.910%0.09933%0.33CS..  trans-64.1138.3179.4-73.6172000112F213 Y219 E224 Q231 R232F213-L227 HydrophobicContact CD1-CD1 3.72Å; F213-L227 HydrophobicContact CE1-CD1 3.57Å; Y219-L227 HydrophobicContact CD1-CD1 3.72Å; Y219-L227 HydrophobicContact CD1-CD2 4.35Å; Y219-L227 HydrophobicContact CD1-CG 4.5Å; Y219-L227 HydrophobicContact CE1-CD1 4.33Å; Y219-L227 HydrophobicContact CG-CD1 4.1Å; E224-L227 PolarHBondContact O-N 2.04Å; L227-Q231 HydrophobicContact CB-CB 4.4Å; L227-Q231 HydrophobicContact CD2-CB 3.93Å; L227-Q231 VanDerWaalsContact CD2-OE1 3.32Å; L227-R232 HydrophobicContact CB-CB 4.14Å; L227-R232 HydrophobicContact CD1-CB 3.98Å
228S81.4Confident82.5Confident49 Ų4955.2 Ų55.234%0.34333%0.329SS..  trans-68.2159.8174.469.70000111.9S230 Q231 R232S228-S230 PolarHBondContact O-N 2.94Å; S228-S230 VanDerWaalsContact O-N 3.15Å; S228-S230 PolarHBondContact OG-N 2.88Å; S228-S230 PolarHBondContact OG-OG 2.95Å; S228-Q231 PolarHBondContact O-N 3.2Å; S228-Q231 WeakPolarHBondContact OG-CG 3.45Å; S228-Q231 PolarHBondContact OG-N 2.93Å; S228-R232 PolarHBondContact O-N 3.22Å
229Q79.5Confident82.6Confident172 Ų17257.9 Ų57.980%0.80434%0.342SS*.THydrogen-bonded Turntrans-58.3-24.6172.1-74177.5-37.900113.6
230S81.8Confident82.8Confident71 Ų7159.8 Ų59.850%0.49735%0.351SS..THydrogen-bonded Turntrans-74.1-30.7173.763.50000112.6S228 Y250S228-S230 PolarHBondContact O-N 2.94Å; S228-S230 VanDerWaalsContact O-N 3.15Å; S228-S230 PolarHBondContact OG-N 2.88Å; S228-S230 PolarHBondContact OG-OG 2.95Å; S230-Y250 PolarHBondContact O-OH 3.27Å
231Q85.6Confident83.5Confident48 Ų4865 Ų6522%0.22437%0.37CS..THydrogen-bonded Turntrans-90.2-29.1178.6-66.4176.5-50.300113.2F213 D214 A217 L227 S228F213-Q231 WeakPolarHBondContact CA-O 3.12Å; D214-Q231 PolarHBondContact N-O 3.4Å; A217-Q231 HydrophobicContact CB-CB 4.09Å; L227-Q231 HydrophobicContact CB-CB 4.4Å; L227-Q231 HydrophobicContact CD2-CB 3.93Å; L227-Q231 VanDerWaalsContact CD2-OE1 3.32Å; S228-Q231 PolarHBondContact O-N 3.2Å; S228-Q231 WeakPolarHBondContact OG-CG 3.45Å; S228-Q231 PolarHBondContact OG-N 2.93Å
232R91.1Very high84.5Confident25 Ų2561.4 Ų61.49%0.09434%0.341CS..EExtended strand (participates in β ladder)trans-154.3131.6174.9-173.7-156.862.7-154.2-18.4113.3D211 V212 F213 E224 L227 S228D211-R232 HydrophobicContact CB-CG 4.33Å; D211-R232 WeakPolarHBondContact OD1-CD 3.37Å; D211-R232 IonicContact OD1-NE 2.76Å; V212-R232 CarbonylContact O-C 3.58Å; V212-R232 WeakPolarHBondContact O-CA 3.47Å; V212-R232 WeakPolarHBondContact O-CG 3.4Å; F213-R232 HydrophobicContact CD1-CB 3.84Å; F213-R232 HydrophobicContact CD1-CG 3.69Å; F213-R232 HydrophobicContact CD2-CG 4.38Å; F213-R232 HydrophobicContact CE1-CB 4.29Å; F213-R232 HydrophobicContact CE1-CG 3.88Å; F213-R232 HydrophobicContact CG-CB 4.35Å; F213-R232 HydrophobicContact CG-CG 3.97Å; F213-R232 HydrophobicContact CZ-CG 4.3Å; E224-R232 PolarHBondContact O-NH1 2.59Å; E224-R232 PolarHBondContact O-NH2 3Å; E224-R232 VanDerWaalsContact O-NH2 3.16Å; L227-R232 HydrophobicContact CB-CB 4.14Å; L227-R232 HydrophobicContact CD1-CB 3.98Å; S228-R232 PolarHBondContact O-N 3.22Å
233V92.3Very high85Confident34 Ų3467.7 Ų67.721%0.20634%0.342CS..EExtended strand (participates in β ladder)trans-103.3147.8162.9-1770000110.1V212 F235 Y250V212-V233 PolarHBondContact N-O 3Å; V212-V233 PolarHBondContact O-N 3.23Å; V233-F235 HydrophobicContact CB-CE2 4.2Å; V233-F235 HydrophobicContact CB-CZ 4.25Å; V233-F235 HydrophobicContact CG1-CD2 4.43Å; V233-F235 HydrophobicContact CG1-CE1 3.97Å; V233-F235 HydrophobicContact CG1-CE2 3.73Å; V233-F235 HydrophobicContact CG1-CZ 3.47Å; V233-F235 VanDerWaalsContact CG1-CZ 3.47Å; V233-Y250 HydrophobicContact CB-CD2 4.45Å; V233-Y250 HydrophobicContact CG2-CD2 3.57Å; V233-Y250 HydrophobicContact CG2-CE2 4.12Å; V233-Y250 HydrophobicContact CG2-CG 4.43Å
234R93.3Very high85.1Confident71 Ų7168.2 Ų68.227%0.26834%0.344SS..EExtended strand (participates in β ladder)trans-129.5131.1-178.5171.3173.8-70.4-167.3-2.7111Q204 C205 L210 D211Q204-R234 PolarHBondContact O-NH1 3.01Å; Q204-R234 VanDerWaalsContact O-NH1 3.16Å; C205-R234 HydrophobicContact CB-CG 4.37Å; L210-R234 WeakPolarHBondContact O-CA 3.23Å; D211-R234 IonicContact OD1-CZ 2.75Å; D211-R234 VanDerWaalsContact OD1-CZ 3.24Å; D211-R234 IonicContact OD1-NE 2.8Å; D211-R234 PolarHBondContact OD1-NE 3.16Å; D211-R234 IonicContact OD1-NH2 3.13Å; D211-R234 PolarHBondContact OD1-NH2 2.69Å; D211-R234 IonicContact OD2-NH2 2.71Å
235F94.1Very high84.9Confident0 Ų069 Ų690%035%0.348CS..EExtended strand (participates in β ladder)trans-118.2133.9-179.3-50.5-91.2000111.5I194 L197 L210 V212 V233 Y242 D247I194-F235 HydrophobicContact CG1-CD1 4.32Å; I194-F235 HydrophobicContact CG1-CE1 4.02Å; I194-F235 HydrophobicContact CG1-CE2 4.4Å; I194-F235 HydrophobicContact CG1-CZ 4.07Å; L197-F235 HydrophobicContact CD1-CB 4.16Å; L197-F235 HydrophobicContact CD2-CB 3.98Å; L197-F235 HydrophobicContact CD2-CD1 4.49Å; L210-F235 HydrophobicContact CB-CB 4.23Å; L210-F235 HydrophobicContact CD2-CD2 4.3Å; L210-F235 HydrophobicContact CG-CD2 4.26Å; L210-F235 PolarHBondContact N-O 2.95Å; L210-F235 WeakPolarHBondContact O-CD2 3.03Å; L210-F235 PolarHBondContact O-N 3.33Å; V212-F235 HydrophobicContact CB-CE2 4.41Å; V212-F235 HydrophobicContact CG2-CD2 4.41Å; V212-F235 HydrophobicContact CG2-CE2 3.85Å; V233-F235 HydrophobicContact CB-CE2 4.2Å; V233-F235 HydrophobicContact CB-CZ 4.25Å; V233-F235 HydrophobicContact CG1-CD2 4.43Å; V233-F235 HydrophobicContact CG1-CE1 3.97Å; V233-F235 HydrophobicContact CG1-CE2 3.73Å; V233-F235 HydrophobicContact CG1-CZ 3.47Å; V233-F235 VanDerWaalsContact CG1-CZ 3.47Å; F235-Y242 WeakPolarHBondContact CA-OH 3.27Å; F235-Y242 HydrophobicContact CD1-CD1 4.26Å; F235-Y242 AromaticContact CD1-CE1 3.89Å; F235-Y242 HydrophobicContact CD1-CE1 3.89Å; F235-D247 WeakPolarHBondContact CE1-O 3.47Å
236C94.6Very high85.3Confident12 Ų1266.9 Ų66.98%0.08133%0.326CS..  trans-157.3173.8166.869.30000111.5C205 A208 Y242C205-C236 VanDerWaalsContact CA-SG 3.53Å; C205-C236 HydrophobicContact CB-CB 3.46Å; C205-C236 VanDerWaalsContact CB-CB 3.46Å; C205-C236 WeakPolarHBondContact CB-SG 3.47Å; C205-C236 WeakPolarHBondContact SG-CB 3.46Å; C205-C236 CovalentContact SG-SG 2.04Å; C205-C236 PolarHBondContact SG-SG 2.78Å; A208-C236 WeakPolarHBondContact O-CB 3.45Å; C236-Y242 PolarHBondContact N-OH 2.8Å; C236-Y242 WeakPolarHBondContact O-CE2 3.09Å; C236-Y242 PolarHBondContact O-OH 3.33Å
237G92.5Very high85.7Confident1 Ų164.8 Ų64.81%0.0131%0.307CS..SBendtrans70.7-148.4-174.100000113.6L199L199-G237 PolarHBondContact N-O 2.84Å; L199-G237 CarbonylContact O-C 3.6Å; L199-G237 VanDerWaalsContact O-CA 3.25Å; L199-G237 WeakPolarHBondContact O-CA 3.32Å
238E88.9Confident86.1Confident23 Ų2365.9 Ų65.911%0.10731%0.311CS..BIsolated β-bridgetrans-107.6144.1-171.2-42.4-164.3148.800110.8L197 Q198 K240 Y241 K274L197-E238 CarbonylContact O-C 3.43Å; Q198-E238 PolarHBondContact NE2-OE1 2.84Å; Q198-E238 PolarHBondContact OE1-OE1 2.71Å; E238-K240 HydrophobicContact CB-CD 4.22Å; E238-K240 HydrophobicContact CB-CG 4.23Å; E238-K240 PolarHBondContact O-N 2.82Å; E238-K240 WeakPolarHBondContact OE2-CE 3.21Å; E238-K240 IonicContact OE2-NZ 2.6Å; E238-K240 PolarHBondContact OE2-NZ 2.93Å; E238-Y241 HydrophobicContact CB-CD2 4.38Å; E238-Y241 HydrophobicContact CB-CE2 4.14Å; E238-Y241 HydrophobicContact CG-CE2 4.18Å; E238-Y241 VanDerWaalsContact N-CD2 3.29Å; E238-Y241 VanDerWaalsContact N-CE2 3.33Å; E238-Y241 WeakPolarHBondContact O-CB 2.99Å; E238-Y241 WeakPolarHBondContact O-CD2 3.48Å; E238-Y241 PolarHBondContact O-N 3.27Å; E238-K274 IonicContact OE1-NZ 3.02Å; E238-K274 PolarHBondContact OE1-NZ 2.96Å; E238-K274 IonicContact OE2-NZ 2.83Å; E238-K274 PolarHBondContact OE2-NZ 2.7Å
239E85.5Confident86.6Confident83 Ų8364.1 Ų64.139%0.38830%0.298SS..G310 helixtrans-43.7-38.9-178.7-167.8-158.6171.900113.9L197 Y241 Y242 K248L197-E239 HydrophobicContact CB-CB 4.29Å; L197-E239 PolarHBondContact O-N 3.06Å; E239-Y241 PolarHBondContact O-N 2.99Å; E239-Y242 WeakPolarHBondContact O-CB 3.21Å; E239-Y242 PolarHBondContact O-N 3.39Å; E239-K248 HydrophobicContact CG-CD 3.73Å; E239-K248 IonicContact OE1-NZ 3.87Å; E239-K248 PolarHBondContact OE1-NZ 2.77Å
240K85.6Confident87.2Confident105 Ų10556.3 Ų56.346%0.45726%0.262SS..G310 helixtrans-56.4-11.2179.279.8-164.7-175.1-167.30116.1E238 R243E238-K240 HydrophobicContact CB-CD 4.22Å; E238-K240 HydrophobicContact CB-CG 4.23Å; E238-K240 PolarHBondContact O-N 2.82Å; E238-K240 WeakPolarHBondContact OE2-CE 3.21Å; E238-K240 IonicContact OE2-NZ 2.6Å; E238-K240 PolarHBondContact OE2-NZ 2.93Å; K240-R243 WeakPolarHBondContact O-CG 2.98Å; K240-R243 PolarHBondContact O-NE 2.87Å
241Y87.6Confident87.6Confident128 Ų12854.1 Ų54.150%0.50224%0.244SC..G310 helixtrans-83.7-18.9173.7-60-47.8000112.9E238 E239E238-Y241 HydrophobicContact CB-CD2 4.38Å; E238-Y241 HydrophobicContact CB-CE2 4.14Å; E238-Y241 HydrophobicContact CG-CE2 4.18Å; E238-Y241 VanDerWaalsContact N-CD2 3.29Å; E238-Y241 VanDerWaalsContact N-CE2 3.33Å; E238-Y241 WeakPolarHBondContact O-CB 2.99Å; E238-Y241 WeakPolarHBondContact O-CD2 3.48Å; E238-Y241 PolarHBondContact O-N 3.27Å; E239-Y241 PolarHBondContact O-N 2.99Å
242Y88.7Confident88Confident47 Ų4752 Ų5218%0.18423%0.234CC..  trans-107.696.3-177.7-60.2-87000107.3L197 F235 C236 E239 D247 K248L197-Y242 HydrophobicContact CD2-CD2 3.66Å; L197-Y242 HydrophobicContact CD2-CE2 3.36Å; F235-Y242 WeakPolarHBondContact CA-OH 3.27Å; F235-Y242 HydrophobicContact CD1-CD1 4.26Å; F235-Y242 AromaticContact CD1-CE1 3.89Å; F235-Y242 HydrophobicContact CD1-CE1 3.89Å; C236-Y242 PolarHBondContact N-OH 2.8Å; C236-Y242 WeakPolarHBondContact O-CE2 3.09Å; C236-Y242 PolarHBondContact O-OH 3.33Å; E239-Y242 WeakPolarHBondContact O-CB 3.21Å; E239-Y242 PolarHBondContact O-N 3.39Å; Y242-D247 HydrophobicContact CD1-CB 4.12Å; Y242-D247 VanDerWaalsContact CD1-O 3.32Å; Y242-D247 WeakPolarHBondContact CD1-O 3.14Å; Y242-D247 HydrophobicContact CG-CB 4.46Å; Y242-K248 HydrophobicContact CG-CG 4.42Å
243R81.1Confident87.9Confident205 Ų20554.6 Ų54.677%0.77425%0.25SC*.  trans-122.7-28.4-164.8-66.3-171.7-179.7-164.4-0.3114.2K240 D247K240-R243 WeakPolarHBondContact O-CG 2.98Å; K240-R243 PolarHBondContact O-NE 2.87Å; R243-D247 PolarHBondContact N-OD2 3.36Å
244E77.9Confident87.8Confident124 Ų12458.4 Ų58.458%0.57926%0.26SS*.SBendtrans-78.4148.7175.2-60.1-172.8-161.400109G246 D247E244-G246 PolarHBondContact O-N 2.86Å; E244-D247 PolarHBondContact N-OD2 2.67Å; E244-D247 WeakPolarHBondContact O-CB 3.34Å; E244-D247 PolarHBondContact O-N 3.21Å
245E71.2Confident87.7Confident65 Ų6556.2 Ų56.230%0.30425%0.254SS..THydrogen-bonded Turntrans-62.5128.1178-173.8-161.6137.100110.2Y307 R319 E338 F339E245-Y307 HydrophobicContact CB-CD2 4.17Å; E245-Y307 HydrophobicContact CB-CE2 4.23Å; E245-Y307 WeakPolarHBondContact OE2-CB 3.25Å; E245-Y307 WeakPolarHBondContact OE2-CD2 3.26Å; E245-R319 WeakPolarHBondContact OE1-CD 3.38Å; E245-R319 IonicContact OE1-CZ 2.77Å; E245-R319 IonicContact OE1-NE 3.78Å; E245-R319 PolarHBondContact OE1-NE 2.88Å; E245-R319 IonicContact OE2-CZ 3.7Å; E245-R319 IonicContact OE2-NE 2.89Å; E245-R319 PolarHBondContact OE2-NE 3.28Å; E245-R319 IonicContact OE2-NH2 3.64Å; E245-R319 PolarHBondContact OE2-NH2 2.79Å; E245-E338 HydrophobicContact CG-CB 4.11Å; E245-F339 HydrophobicContact CB-CE2 4.48Å; E245-F339 HydrophobicContact CG-CD2 4.45Å; E245-F339 HydrophobicContact CG-CE2 4.3Å
246G80.5Confident87.7Confident20 Ų2056.7 Ų56.721%0.20626%0.256CS..THydrogen-bonded Turntrans91.1-6.7-174.500000114.1E244 K248 S249 E338E244-G246 PolarHBondContact O-N 2.86Å; G246-K248 PolarHBondContact O-N 2.88Å; G246-S249 PolarHBondContact O-N 3.12Å; G246-S249 VanDerWaalsContact O-O 3.13Å; G246-E338 WeakPolarHBondContact CA-OE1 3.33Å; G246-E338 PolarHBondContact N-OE1 3.03Å; G246-E338 PolarHBondContact N-OE2 2.58Å
247D86.7Confident87.8Confident59 Ų5956.1 Ų56.132%0.31625%0.252SS..THydrogen-bonded Turntrans-61.8-25.8169.4-83.6-16.4000111.6F235 Y242 R243 E244F235-D247 WeakPolarHBondContact CE1-O 3.47Å; Y242-D247 HydrophobicContact CD1-CB 4.12Å; Y242-D247 VanDerWaalsContact CD1-O 3.32Å; Y242-D247 WeakPolarHBondContact CD1-O 3.14Å; Y242-D247 HydrophobicContact CG-CB 4.46Å; R243-D247 PolarHBondContact N-OD2 3.36Å; E244-D247 PolarHBondContact N-OD2 2.67Å; E244-D247 WeakPolarHBondContact O-CB 3.34Å; E244-D247 PolarHBondContact O-N 3.21Å
248K88.9Confident87.9Confident41 Ų4157 Ų5718%0.17826%0.256CS..THydrogen-bonded Turntrans-1088.1-177.3-64-161.6-58.7155.80114I194 E239 Y242 G246I194-K248 HydrophobicContact CB-CB 4.36Å; I194-K248 WeakPolarHBondContact CG1-O 3.13Å; I194-K248 PolarHBondContact N-O 2.86Å; I194-K248 PolarHBondContact O-NZ 2.89Å; E239-K248 HydrophobicContact CG-CD 3.73Å; E239-K248 IonicContact OE1-NZ 3.87Å; E239-K248 PolarHBondContact OE1-NZ 2.77Å; Y242-K248 HydrophobicContact CG-CG 4.42Å; G246-K248 PolarHBondContact O-N 2.88Å
249S90.9Very high88.3Confident12 Ų1256 Ų568%0.08425%0.251CS..EExtended strand (participates in β ladder)trans-138.5158.1-178.7580000114.1I192 G246 E338I192-S249 CarbonylContact O-C 3.44Å; I192-S249 WeakPolarHBondContact O-CA 3.01Å; I192-S249 WeakPolarHBondContact O-CB 3.46Å; G246-S249 PolarHBondContact O-N 3.12Å; G246-S249 VanDerWaalsContact O-O 3.13Å; S249-E338 WeakPolarHBondContact CB-OE1 3.41Å; S249-E338 PolarHBondContact N-OE1 2.89Å; S249-E338 VanDerWaalsContact N-OE1 3.12Å; S249-E338 PolarHBondContact OG-OE1 2.91Å
250Y92.6Very high88.8Confident9 Ų952.6 Ų52.64%0.03524%0.235CC..EExtended strand (participates in β ladder)trans-141.1150.8-180179.8-100.2000110.1F191 I192 V212 D214 S230 V233 I257F191-Y250 CarbonylContact C-O 3.48Å; F191-Y250 WeakPolarHBondContact CD2-O 3.42Å; I192-Y250 HydrophobicContact CG1-CD1 4.46Å; I192-Y250 PolarHBondContact N-O 3.31Å; I192-Y250 PolarHBondContact O-N 2.96Å; V212-Y250 HydrophobicContact CG1-CD1 3.65Å; V212-Y250 HydrophobicContact CG1-CE1 4.17Å; V212-Y250 HydrophobicContact CG1-CG 4.13Å; D214-Y250 WeakPolarHBondContact CB-OH 3.34Å; S230-Y250 PolarHBondContact O-OH 3.27Å; V233-Y250 HydrophobicContact CB-CD2 4.45Å; V233-Y250 HydrophobicContact CG2-CD2 3.57Å; V233-Y250 HydrophobicContact CG2-CE2 4.12Å; V233-Y250 HydrophobicContact CG2-CG 4.43Å; Y250-I257 HydrophobicContact CD1-CD1 3.83Å; Y250-I257 HydrophobicContact CE1-CD1 3.96Å; Y250-I257 HydrophobicContact CE1-CG1 4.39Å
251M91.2Very high89.4Confident25 Ų2547.6 Ų47.612%0.12321%0.213CC..EExtended strand (participates in β ladder)trans-131122.3176.3-175.470.877.100106.7Q189 F191 V291 Y322Q189-M251 HydrophobicContact CB-SD 4.09Å; F191-M251 HydrophobicContact CB-CE 3.95Å; F191-M251 HydrophobicContact CB-SD 4.1Å; F191-M251 HydrophobicContact CD2-CE 3.63Å; F191-M251 HydrophobicContact CD2-SD 4.34Å; F191-M251 HydrophobicContact CG-CE 4.11Å; M251-V291 HydrophobicContact CE-CG2 3.91Å; M251-V291 HydrophobicContact SD-CG2 3.61Å; M251-Y322 HydrophobicContact CE-CD1 4.14Å; M251-Y322 HydrophobicContact CE-CE1 3.48Å; M251-Y322 VanDerWaalsContact CE-CE1 3.48Å; M251-Y322 HydrophobicContact CE-CE2 4.02Å; M251-Y322 VanDerWaalsContact CE-CZ 3.42Å
252S93.2Very high89.8Confident2 Ų245.2 Ų45.21%0.01421%0.205CC..  trans-70.7156176.851.30000112.5Q189 I190 R254Q189-S252 PolarHBondContact NE2-O 3.05Å; I190-S252 PolarHBondContact N-OG 2.6Å; I190-S252 PolarHBondContact O-N 3.01Å; I190-S252 VanDerWaalsContact O-N 3.13Å; I190-S252 PolarHBondContact O-OG 3.01Å; S252-R254 VanDerWaalsContact CB-O 3.26Å; S252-R254 WeakPolarHBondContact CB-O 3.1Å; S252-R254 PolarHBondContact O-N 2.89Å; S252-R254 PolarHBondContact OG-O 3.38Å
253D88.1Confident90.2Very high80 Ų8043.1 Ų43.143%0.42820%0.198SC..SBendtrans-65.8-30.1172.4-84.6-2000110.5Q81 Q189 D214Q81-D253 PolarHBondContact NE2-OD2 2.82Å; Q189-D253 PolarHBondContact NE2-O 2.04Å; D214-D253 PolarHBondContact OD2-N 2.74Å
254R90.1Very high90.9Very high114 Ų11436.5 Ų36.543%0.4318%0.18SC..SBendtrans-147.6-170.3-171-70.7-176.6177.6-120.1-1.3112.8K188 Y216 S252 R256K188-R254 CarbonylContact O-C 3.45Å; Y216-R254 HydrophobicContact CD2-CB 3.89Å; Y216-R254 HydrophobicContact CD2-CG 4.42Å; Y216-R254 HydrophobicContact CE2-CB 3.52Å; Y216-R254 HydrophobicContact CE2-CG 4.28Å; S252-R254 VanDerWaalsContact CB-O 3.26Å; S252-R254 WeakPolarHBondContact CB-O 3.1Å; S252-R254 PolarHBondContact O-N 2.89Å; S252-R254 PolarHBondContact OG-O 3.38Å; R254-R256 PolarHBondContact O-N 3.47Å
255N92.6Very high91.7Very high26 Ų2635.8 Ų35.814%0.13918%0.175CC..SBendtrans-73.924.1-171.672.1-62.3000116.9R183 V184 R185 K188 Y216R183-N255 WeakPolarHBondContact CA-O 3.38Å; V184-N255 HydrophobicContact CG2-CB 3.67Å; V184-N255 PolarHBondContact N-O 3.13Å; V184-N255 PolarHBondContact O-ND2 3.47Å; R185-N255 WeakPolarHBondContact O-CB 3.47Å; K188-N255 WeakPolarHBondContact O-CA 3.49Å; K188-N255 VanDerWaalsContact O-CB 3.27Å; K188-N255 WeakPolarHBondContact O-CB 3.15Å; K188-N255 PolarHBondContact O-N 2.9Å; Y216-N255 PolarHBondContact OH-OD1 3.22Å
256R94Very high92.8Very high9 Ų935 Ų353%0.03418%0.18CC..EExtended strand (participates in β ladder)trans-150141.1-177.5-174.6-178173.1151.4-7113M102 E130 I181 I182 R183 G215 Y216 R254M102-R256 VanDerWaalsContact CE-CZ 3.45Å; M102-R256 PolarHBondContact SD-NH1 3.06Å; M102-R256 PolarHBondContact SD-NH2 2.94Å; E130-R256 WeakPolarHBondContact OE1-CD 3.31Å; E130-R256 IonicContact OE1-CZ 3.21Å; E130-R256 IonicContact OE1-NE 2.68Å; E130-R256 IonicContact OE1-NH1 3.21Å; E130-R256 PolarHBondContact OE1-NH1 3.4Å; I181-R256 HydrophobicContact CG2-CG 4.42Å; I182-R256 WeakPolarHBondContact O-CA 3.44Å; I182-R256 WeakPolarHBondContact O-CG 3.25Å; R183-R256 HydrophobicContact CG-CB 4.45Å; R183-R256 HydrophobicContact CG-CG 4.02Å; R183-R256 VanDerWaalsContact NH2-CZ 3.3Å; G215-R256 VanDerWaalsContact CA-O 3.32Å; G215-R256 WeakPolarHBondContact CA-O 3.49Å; G215-R256 PolarHBondContact N-O 2.85Å; Y216-R256 HydrophobicContact CE2-CB 4.17Å; R254-R256 PolarHBondContact O-N 3.47Å
257I96Very high93.4Very high0 Ų034.5 Ų34.50%017%0.173CC..EExtended strand (participates in β ladder)trans-133.4148.8171.1-74.3-177.3000110.1I182 I190 I192 V212 Y250 V259I182-I257 HydrophobicContact CB-CB 4.4Å; I182-I257 HydrophobicContact CD1-CB 4.3Å; I182-I257 HydrophobicContact CD1-CG2 4.15Å; I182-I257 PolarHBondContact N-O 2.82Å; I182-I257 PolarHBondContact O-N 2.96Å; I190-I257 HydrophobicContact CB-CD1 3.75Å; I190-I257 HydrophobicContact CB-CG1 4.18Å; I190-I257 HydrophobicContact CD1-CB 4.18Å; I190-I257 HydrophobicContact CD1-CG1 4.04Å; I190-I257 HydrophobicContact CG2-CD1 3.75Å; I190-I257 HydrophobicContact CG2-CG1 4.42Å; I192-I257 HydrophobicContact CD1-CD1 3.82Å; I192-I257 HydrophobicContact CD1-CG2 4.5Å; I192-I257 HydrophobicContact CG1-CD1 3.4Å; V212-I257 HydrophobicContact CG1-CG2 3.83Å; Y250-I257 HydrophobicContact CD1-CD1 3.83Å; Y250-I257 HydrophobicContact CE1-CD1 3.96Å; Y250-I257 HydrophobicContact CE1-CG1 4.39Å; I257-V259 HydrophobicContact CG2-CG2 3.74Å
258H95.3Very high93.6Very high21 Ų2134 Ų3410%0.09717%0.174CC..EExtended strand (participates in β ladder)trans-112.7116.1164.3172.4-158.2000109.1N179 W180 I181 F213N179-H258 PolarHBondContact OD1-NE2 2.93Å; W180-H258 WeakPolarHBondContact O-CA 3.06Å; W180-H258 PolarHBondContact O-CD2 3.07Å; I181-H258 HydrophobicContact CD1-CB 3.65Å; F213-H258 HydrophobicContact CB-CB 4.3Å; F213-H258 PolarHBondContact N-O 2.95Å; F213-H258 PolarHBondContact O-N 2.91Å
259V97.2Very high93.4Very high0 Ų038.9 Ų38.90%020%0.197CC..EExtended strand (participates in β ladder)trans-99.6129.2172.6-176.10000108.5I163 W180 I182 L210 V212 I257 L286I163-V259 HydrophobicContact CD1-CB 4.43Å; I163-V259 HydrophobicContact CD1-CG2 4.22Å; W180-V259 HydrophobicContact CB-CB 4.41Å; W180-V259 HydrophobicContact CE3-CB 4.3Å; W180-V259 HydrophobicContact CE3-CG1 4.08Å; W180-V259 HydrophobicContact CZ3-CG1 4.47Å; W180-V259 PolarHBondContact N-O 2.69Å; W180-V259 PolarHBondContact O-N 3.22Å; I182-V259 HydrophobicContact CD1-CG2 3.93Å; L210-V259 HydrophobicContact CD1-CG1 3.53Å; V212-V259 HydrophobicContact CG2-CG1 4.47Å; V212-V259 HydrophobicContact CG2-CG2 4.45Å; I257-V259 HydrophobicContact CG2-CG2 3.74Å; V259-L286 HydrophobicContact CG1-CD1 4.08Å; V259-L286 HydrophobicContact CG2-CD1 4.32Å
260R96.3Very high92.9Very high12 Ų1246.1 Ų46.15%0.04523%0.229CC..EExtended strand (participates in β ladder)trans-126.8116.9176.1-179.1177.269.9-178.53.3110.8E177 C178 N179 L210 D211 F213 E224E177-R260 HydrophobicContact CG-CG 4.4Å; C178-R260 CarbonylContact O-C 3.44Å; C178-R260 WeakPolarHBondContact O-CA 3.12Å; N179-R260 WeakPolarHBondContact OD1-CB 3.43Å; N179-R260 WeakPolarHBondContact OD1-CD 3.26Å; N179-R260 WeakPolarHBondContact OD1-CG 3.34Å; L210-R260 WeakPolarHBondContact CA-O 3.49Å; D211-R260 HydrophobicContact CB-CB 4.4Å; D211-R260 PolarHBondContact N-O 3.08Å; D211-R260 PolarHBondContact O-N 3.44Å; D211-R260 IonicContact OD2-CZ 3.41Å; D211-R260 IonicContact OD2-NE 3.09Å; D211-R260 PolarHBondContact OD2-NE 3.49Å; D211-R260 VanDerWaalsContact OD2-NE 3.14Å; D211-R260 IonicContact OD2-NH2 2.82Å; D211-R260 PolarHBondContact OD2-NH2 2.9Å; F213-R260 HydrophobicContact CE2-CB 4.23Å; E224-R260 IonicContact OE1-CZ 3.84Å; E224-R260 IonicContact OE1-NH1 3.14Å; E224-R260 PolarHBondContact OE1-NH1 2.95Å; E224-R260 IonicContact OE1-NH2 2.69Å; E224-R260 IonicContact OE2-CZ 3.86Å; E224-R260 IonicContact OE2-NH1 3.58Å; E224-R260 PolarHBondContact OE2-NH1 2.92Å; E224-R260 IonicContact OE2-NH2 2.9Å; E224-R260 PolarHBondContact OE2-NH2 3.09Å
261F97.6Very high92.6Very high0 Ų046.4 Ų46.40%023%0.231CC..EExtended strand (participates in β ladder)trans-97.2125.8165.3-179.8-122.3000109.4Y172 V176 E177 C178 W180 L199 Q209 L210 T263 F284Y172-F261 HydrophobicContact CD1-CZ 4.16Å; Y172-F261 HydrophobicContact CD2-CE1 4.5Å; Y172-F261 AromaticContact CD2-CZ 3.99Å; Y172-F261 HydrophobicContact CD2-CZ 3.99Å; Y172-F261 HydrophobicContact CE2-CZ 4.43Å; Y172-F261 HydrophobicContact CG-CE1 4.3Å; Y172-F261 AromaticContact CG-CZ 3.84Å; Y172-F261 HydrophobicContact CG-CZ 3.84Å; V176-F261 HydrophobicContact CG1-CD1 4.4Å; E177-F261 CarbonylContact C-O 3.3Å; E177-F261 WeakPolarHBondContact CA-O 3.3Å; C178-F261 HydrophobicContact CB-CB 4.47Å; C178-F261 PolarHBondContact N-O 2.83Å; C178-F261 PolarHBondContact O-N 3.07Å; W180-F261 HydrophobicContact CH2-CB 4.06Å; W180-F261 HydrophobicContact CZ3-CB 3.7Å; L199-F261 HydrophobicContact CD1-CE2 4Å; L199-F261 HydrophobicContact CD2-CE2 3.69Å; L199-F261 HydrophobicContact CD2-CZ 4.07Å; Q209-F261 WeakPolarHBondContact O-CA 3.42Å; Q209-F261 WeakPolarHBondContact O-CD2 3.35Å; L210-F261 HydrophobicContact CB-CD2 4.43Å; L210-F261 HydrophobicContact CD1-CB 4.29Å; F261-T263 HydrophobicContact CD1-CG2 4.37Å; F261-T263 HydrophobicContact CE1-CG2 3.54Å; F261-T263 HydrophobicContact CE2-CG2 3.96Å; F261-T263 HydrophobicContact CZ-CG2 3.3Å; F261-F284 HydrophobicContact CB-CE1 3.86Å; F261-F284 HydrophobicContact CB-CZ 4.24Å; F261-F284 HydrophobicContact CD1-CE1 4.19Å; F261-F284 HydrophobicContact CD2-CD1 4.08Å; F261-F284 AromaticContact CD2-CE1 3.61Å; F261-F284 HydrophobicContact CD2-CE1 3.61Å; F261-F284 HydrophobicContact CE2-CD1 4.25Å; F261-F284 HydrophobicContact CE2-CE1 4.15Å; F261-F284 AromaticContact CG-CE1 3.63Å; F261-F284 HydrophobicContact CG-CE1 3.63Å; F261-F284 HydrophobicContact CG-CZ 4.46Å
262K96.5Very high91.9Very high78 Ų7849.4 Ų49.434%0.33924%0.244SC..EExtended strand (participates in β ladder)trans-132.4134.6179.1-176.8171.8179.8170.30111.2V176 A208 Q209V176-K262 CarbonylContact O-C 3.55Å; V176-K262 VanDerWaalsContact O-CA 3.31Å; V176-K262 WeakPolarHBondContact O-CA 3.31Å; A208-K262 WeakPolarHBondContact CA-O 3.47Å; Q209-K262 HydrophobicContact CG-CB 4.06Å; Q209-K262 PolarHBondContact N-O 2.95Å; Q209-K262 PolarHBondContact O-N 2.86Å
263T96.8Very high91.1Very high4 Ų455.9 Ų55.93%0.02527%0.269CS..EExtended strand (participates in β ladder)trans-126.3146.6175.1670000111.1Y172 P173 D175 V176 D207 A208 F261Y172-T263 HydrophobicContact CD2-CG2 3.59Å; Y172-T263 HydrophobicContact CE2-CG2 3.71Å; P173-T263 PolarHBondContact O-OG1 3.09Å; D175-T263 WeakPolarHBondContact CA-O 3.49Å; D175-T263 PolarHBondContact N-O 3.41Å; D175-T263 PolarHBondContact N-OG1 3.1Å; V176-T263 PolarHBondContact N-OG1 2.96Å; V176-T263 VanDerWaalsContact N-OG1 3.11Å; V176-T263 PolarHBondContact O-N 2.92Å; D207-T263 WeakPolarHBondContact O-CA 3.39Å; A208-T263 HydrophobicContact CB-CG2 4.13Å; F261-T263 HydrophobicContact CD1-CG2 4.37Å; F261-T263 HydrophobicContact CE1-CG2 3.54Å; F261-T263 HydrophobicContact CE2-CG2 3.96Å; F261-T263 HydrophobicContact CZ-CG2 3.3Å
264T95.2Very high90.4Very high66 Ų6655.7 Ų55.741%0.40526%0.264SS..SBendtrans-115.2-18.5166.364.80000111.4E206 D207E206-T264 WeakPolarHBondContact O-CG2 3.34Å; E206-T264 PolarHBondContact O-OG1 2.03Å; D207-T264 WeakPolarHBondContact CA-OG1 3.29Å; D207-T264 PolarHBondContact O-N 2.84Å
265K93.9Very high89.8Confident109 Ų10953.5 Ų53.547%0.47426%0.256SS..SBendtrans-128150.5170.2-55.4-159.9-170.982.90110.8D207D207-K265 PolarHBondContact O-N 3.43Å; D207-K265 IonicContact OD1-NZ 2.71Å; D207-K265 PolarHBondContact OD1-NZ 3.38Å; D207-K265 WeakPolarHBondContact OD2-CD 3.21Å; D207-K265 IonicContact OD2-NZ 2.63Å; D207-K265 PolarHBondContact OD2-NZ 3.28Å
266A94.5Very high89Confident49 Ų4959 Ų5941%0.40528%0.281SS..PPolyproline II helixtrans-70.7157170.400000110.5Y172 A174 P268Y172-A266 WeakPolarHBondContact O-CA 3.38Å; A174-A266 HydrophobicContact CB-CB 4.16Å; A266-P268 WeakPolarHBondContact O-CD 3.38Å
267A93.1Very high88.1Confident8 Ų863.6 Ų63.67%0.06630%0.302CS..PPolyproline II helixtrans-59.1120.9177.500000111.1N171 Y172 M271 I282N171-A267 HydrophobicContact CB-CB 3.94Å; N171-A267 PolarHBondContact ND2-O 3.5Å; Y172-A267 HydrophobicContact CD1-CB 3.84Å; Y172-A267 HydrophobicContact CD2-CB 4.18Å; Y172-A267 HydrophobicContact CE1-CB 3.6Å; Y172-A267 HydrophobicContact CE2-CB 3.98Å; Y172-A267 HydrophobicContact CG-CB 4.12Å; Y172-A267 PolarHBondContact O-N 2.9Å; Y172-A267 VanDerWaalsContact O-N 3.07Å; A267-M271 HydrophobicContact CB-SD 4.3Å; A267-I282 HydrophobicContact CB-CG2 3.77Å
268P91.1Very high87.1Confident50 Ų5070.4 Ų70.433%0.32533%0.332SS..PPolyproline II helixtrans-56.6146.9-174-28.935000114.4T200 A266 Q270 M271T200-P268 WeakPolarHBondContact OG1-CD 3.28Å; A266-P268 WeakPolarHBondContact O-CD 3.38Å; P268-Q270 PolarHBondContact O-N 3.45Å; P268-M271 WeakPolarHBondContact O-CB 3.16Å; P268-M271 PolarHBondContact O-N 2.72Å
269E84.8Confident86.1Confident142 Ų14272.2 Ų72.266%0.66436%0.357SS*.Hα-helixtrans-58.8-23178.3-72.8-146.4103.500113.5M271 K272 Y273E269-M271 PolarHBondContact O-N 3.09Å; E269-K272 WeakPolarHBondContact O-CB 3.03Å; E269-K272 PolarHBondContact O-N 2.99Å; E269-K272 IonicContact OE1-NZ 2.77Å; E269-K272 PolarHBondContact OE1-NZ 3.23Å; E269-Y273 PolarHBondContact O-N 2.79Å
270Q81.4Confident85.3Confident164 Ų16474.7 Ų74.777%0.76637%0.374SS*.Hα-helixtrans-61-28.1173.6-67173.5-14.800112.9P268 K272 Y273 K274P268-Q270 PolarHBondContact O-N 3.45Å; Q270-K272 VanDerWaalsContact C-N 3.35Å; Q270-Y273 PolarHBondContact O-N 3.01Å; Q270-K274 PolarHBondContact O-N 3.16Å
271M84.8Confident84.9Confident16 Ų1675 Ų758%0.07938%0.38CS..Hα-helixtrans-71.6-30.1174.8-62-172.717900112.4Q198 L199 A267 P268 E269 Y273 K274 R275 I282Q198-M271 HydrophobicContact CG-SD 4.42Å; L199-M271 WeakPolarHBondContact O-CE 3.43Å; A267-M271 HydrophobicContact CB-SD 4.3Å; P268-M271 WeakPolarHBondContact O-CB 3.16Å; P268-M271 PolarHBondContact O-N 2.72Å; E269-M271 PolarHBondContact O-N 3.09Å; M271-Y273 VanDerWaalsContact C-N 3.29Å; M271-Y273 PolarHBondContact O-N 2.7Å; M271-K274 PolarHBondContact O-N 3.3Å; M271-R275 WeakPolarHBondContact O-CB 3.25Å; M271-R275 PolarHBondContact O-N 2.87Å; M271-I282 HydrophobicContact CB-CD1 3.79Å; M271-I282 HydrophobicContact CB-CG1 4.12Å; M271-I282 HydrophobicContact SD-CG2 4.21Å
272K76.3Confident84.6Confident88 Ų8875.1 Ų75.138%0.38338%0.38SS..Hα-helixtrans-63.1-36.2175.2-177.1-177.4167.7-173.60111.1E269 Q270 R275 Q276E269-K272 WeakPolarHBondContact O-CB 3.03Å; E269-K272 PolarHBondContact O-N 2.99Å; E269-K272 IonicContact OE1-NZ 2.77Å; E269-K272 PolarHBondContact OE1-NZ 3.23Å; Q270-K272 VanDerWaalsContact C-N 3.35Å; K272-R275 PolarHBondContact O-N 3.15Å; K272-Q276 WeakPolarHBondContact O-CB 3.22Å; K272-Q276 VanDerWaalsContact O-CG 3.27Å; K272-Q276 WeakPolarHBondContact O-CG 3.37Å; K272-Q276 PolarHBondContact O-N 2.96Å
273Y76.6Confident84.5Confident138 Ų13871.5 Ų71.554%0.54136%0.364SS..Hα-helixtrans-62.7-52.2172.2177.1-93000111.5E269 Q270 M271 R275 Q276 E277E269-Y273 PolarHBondContact O-N 2.79Å; Q270-Y273 PolarHBondContact O-N 3.01Å; M271-Y273 VanDerWaalsContact C-N 3.29Å; M271-Y273 PolarHBondContact O-N 2.7Å; Y273-R275 PolarHBondContact O-N 3.37Å; Y273-Q276 PolarHBondContact O-N 2.89Å; Y273-E277 WeakPolarHBondContact CE1-OE2 3.36Å; Y273-E277 VanDerWaalsContact CZ-OE2 3.23Å; Y273-E277 PolarHBondContact O-N 2.04Å; Y273-E277 PolarHBondContact OH-OE1 2.92Å; Y273-E277 PolarHBondContact OH-OE2 3.11Å
274K74.1Confident84.5Confident75 Ų7571.3 Ų71.333%0.32636%0.363SS..Hα-helixtrans-52.2-43.5174.3-72.9-169.9172.9-169.30112E238 Q270 M271 E277 F278E238-K274 IonicContact OE1-NZ 3.02Å; E238-K274 PolarHBondContact OE1-NZ 2.96Å; E238-K274 IonicContact OE2-NZ 2.83Å; E238-K274 PolarHBondContact OE2-NZ 2.7Å; Q270-K274 PolarHBondContact O-N 3.16Å; M271-K274 PolarHBondContact O-N 3.3Å; K274-E277 PolarHBondContact O-N 2.84Å; K274-F278 WeakPolarHBondContact O-CB 3.4Å; K274-F278 WeakPolarHBondContact O-CD2 3.39Å; K274-F278 PolarHBondContact O-N 2.9Å
275R77Confident84.5Confident68 Ų6870.2 Ų70.226%0.25735%0.352SS..Hα-helixtrans-67.8-34.5178.5179157.8-177.2-111.44.9113.7P169 M271 K272 Y273 G279 S280 I282P169-R275 WeakPolarHBondContact O-CD 3.06Å; P169-R275 PolarHBondContact O-NE 2.96Å; P169-R275 PolarHBondContact O-NH2 3.3Å; M271-R275 WeakPolarHBondContact O-CB 3.25Å; M271-R275 PolarHBondContact O-N 2.87Å; K272-R275 PolarHBondContact O-N 3.15Å; Y273-R275 PolarHBondContact O-N 3.37Å; R275-G279 WeakPolarHBondContact O-CA 3.49Å; R275-G279 PolarHBondContact O-N 2.92Å; R275-S280 VanDerWaalsContact CB-O 3.26Å; R275-S280 WeakPolarHBondContact CB-O 3.42Å; R275-S280 WeakPolarHBondContact CD-O 3.32Å; R275-S280 WeakPolarHBondContact CG-O 3.48Å; R275-I282 HydrophobicContact CB-CD1 4.07Å; R275-I282 HydrophobicContact CB-CG1 4.39Å
276Q75.4Confident84.7Confident142 Ų14265 Ų6566%0.66433%0.329SS*.Hα-helixtrans-73.1-33.9176.4-76.4173.9-39.100112.7K272 Y273K272-Q276 WeakPolarHBondContact O-CB 3.22Å; K272-Q276 VanDerWaalsContact O-CG 3.27Å; K272-Q276 WeakPolarHBondContact O-CG 3.37Å; K272-Q276 PolarHBondContact O-N 2.96Å; Y273-Q276 PolarHBondContact O-N 2.89Å
277E76.2Confident84.8Confident105 Ų10562.7 Ų62.749%0.49131%0.31SS..Hα-helixtrans-83.8-49.9-179.9-173.5170.4-145.100112.6Y273 K274Y273-E277 WeakPolarHBondContact CE1-OE2 3.36Å; Y273-E277 VanDerWaalsContact CZ-OE2 3.23Å; Y273-E277 PolarHBondContact O-N 2.04Å; Y273-E277 PolarHBondContact OH-OE1 2.92Å; Y273-E277 PolarHBondContact OH-OE2 3.11Å; K274-E277 PolarHBondContact O-N 2.84Å
278F74.6Confident85Confident143 Ų14362.5 Ų62.563%0.62731%0.308SS*.Hα-helixtrans-105.5-6.2-172.1-56.2-73.4000114.5K274 S280K274-F278 WeakPolarHBondContact O-CB 3.4Å; K274-F278 WeakPolarHBondContact O-CD2 3.39Å; K274-F278 PolarHBondContact O-N 2.9Å; F278-S280 PolarHBondContact O-N 2.91Å
279G74.3Confident85.2Confident59 Ų5960.1 Ų60.161%0.60829%0.292SS*.  trans75.8-0.2-17700000115.3R275 A281R275-G279 WeakPolarHBondContact O-CA 3.49Å; R275-G279 PolarHBondContact O-N 2.92Å; G279-A281 PolarHBondContact O-N 3.49Å
280S79.7Confident85.8Confident52 Ų5253.8 Ų53.836%0.36426%0.263SS..  trans-52.1134.2-177-50.30000112.8R275 F278R275-S280 VanDerWaalsContact CB-O 3.26Å; R275-S280 WeakPolarHBondContact CB-O 3.42Å; R275-S280 WeakPolarHBondContact CD-O 3.32Å; R275-S280 WeakPolarHBondContact CG-O 3.48Å; F278-S280 PolarHBondContact O-N 2.91Å
281A88Confident86.4Confident20 Ų2046 Ų4617%0.16523%0.227CC..  trans-65157.3170.100000111.5Y168 P169 D196 Q198 G279Y168-A281 HydrophobicContact CD2-CB 4.46Å; Y168-A281 HydrophobicContact CE2-CB 3.62Å; P169-A281 HydrophobicContact CB-CB 3.65Å; D196-A281 VanDerWaalsContact OD2-CB 3.29Å; D196-A281 WeakPolarHBondContact OD2-CB 3.26Å; Q198-A281 WeakPolarHBondContact CB-O 3.49Å; Q198-A281 WeakPolarHBondContact CG-O 3.45Å; G279-A281 PolarHBondContact O-N 3.49Å
282I92.2Very high86.7Confident2 Ų245.8 Ų45.81%0.0123%0.226CC..  trans-117.8142.6171.1-60168000107.3P169 N171 Y172 A267 M271 R275P169-I282 PolarHBondContact O-N 3.45Å; N171-I282 WeakPolarHBondContact OD1-CD1 3.41Å; Y172-I282 HydrophobicContact CD1-CG2 4.34Å; Y172-I282 HydrophobicContact CE1-CG2 4.41Å; A267-I282 HydrophobicContact CB-CG2 3.77Å; M271-I282 HydrophobicContact CB-CD1 3.79Å; M271-I282 HydrophobicContact CB-CG1 4.12Å; M271-I282 HydrophobicContact SD-CG2 4.21Å; R275-I282 HydrophobicContact CB-CD1 4.07Å; R275-I282 HydrophobicContact CB-CG1 4.39Å
283G94.8Very high86.9Confident1 Ų144.5 Ų44.51%0.0122%0.223CC..EExtended strand (participates in β ladder)trans99.8-138.1-175.200000113.2S165 Q198S165-G283 WeakPolarHBondContact OG-CA 3.38Å; Q198-G283 CarbonylContact C-O 3.56Å; Q198-G283 PolarHBondContact N-O 3.01Å; Q198-G283 PolarHBondContact O-N 3.28Å
284F96.2Very high86.8Confident0 Ų042.8 Ų42.80%022%0.223CC..EExtended strand (participates in β ladder)trans-145.7156.317671.3-95.3000113.2I163 K164 S165 Y168 W180 D196 L197 L210 F261 L286I163-F284 HydrophobicContact CG2-CE2 4.08Å; I163-F284 HydrophobicContact CG2-CZ 4.29Å; I163-F284 WeakPolarHBondContact O-CE2 3.3Å; K164-F284 WeakPolarHBondContact CA-O 3.19Å; S165-F284 PolarHBondContact N-O 3.01Å; S165-F284 PolarHBondContact OG-N 2.81Å; S165-F284 VanDerWaalsContact OG-N 3.09Å; Y168-F284 WeakPolarHBondContact CD2-O 3.34Å; W180-F284 HydrophobicContact CH2-CZ 4.05Å; W180-F284 HydrophobicContact CZ3-CZ 4.18Å; D196-F284 VanDerWaalsContact O-CA 3.27Å; D196-F284 WeakPolarHBondContact O-CA 3.45Å; L197-F284 HydrophobicContact CD1-CB 4.05Å; L210-F284 HydrophobicContact CD1-CE1 4Å; L210-F284 HydrophobicContact CD1-CE2 4.19Å; L210-F284 HydrophobicContact CD1-CZ 3.83Å; L210-F284 HydrophobicContact CD2-CB 4.33Å; L210-F284 HydrophobicContact CD2-CD1 4.05Å; L210-F284 HydrophobicContact CD2-CD2 3.79Å; L210-F284 HydrophobicContact CD2-CE1 4.33Å; L210-F284 HydrophobicContact CD2-CE2 4.08Å; L210-F284 HydrophobicContact CD2-CG 3.8Å; L210-F284 HydrophobicContact CD2-CZ 4.35Å; F261-F284 HydrophobicContact CB-CE1 3.86Å; F261-F284 HydrophobicContact CB-CZ 4.24Å; F261-F284 HydrophobicContact CD1-CE1 4.19Å; F261-F284 HydrophobicContact CD2-CD1 4.08Å; F261-F284 AromaticContact CD2-CE1 3.61Å; F261-F284 HydrophobicContact CD2-CE1 3.61Å; F261-F284 HydrophobicContact CE2-CD1 4.25Å; F261-F284 HydrophobicContact CE2-CE1 4.15Å; F261-F284 AromaticContact CG-CE1 3.63Å; F261-F284 HydrophobicContact CG-CE1 3.63Å; F261-F284 HydrophobicContact CG-CZ 4.46Å; F284-L286 HydrophobicContact CD2-CB 3.98Å; F284-L286 HydrophobicContact CE2-CB 4.03Å
285Y95.8Very high86.4Confident43 Ų4344.9 Ų44.917%0.16925%0.248CC..EExtended strand (participates in β ladder)trans-126109.6168.8-162.2-65.6000109.1V162 K164 Y168 L195 D196 V287V162-Y285 HydrophobicContact CB-CE1 4.08Å; V162-Y285 HydrophobicContact CG1-CE1 3.59Å; K164-Y285 HydrophobicContact CD-CD2 3.97Å; K164-Y285 HydrophobicContact CD-CE2 3.85Å; K164-Y285 VanDerWaalsContact CE-CZ 3.41Å; K164-Y285 HydrophobicContact CG-CD2 4.2Å; K164-Y285 HydrophobicContact CG-CE2 4.45Å; K164-Y285 HydrophobicContact CG-CG 4.48Å; K164-Y285 PolarHBondContact NZ-OH 2.92Å; K164-Y285 VanDerWaalsContact NZ-OH 3.13Å; Y168-Y285 HydrophobicContact CD1-CD2 4.47Å; Y168-Y285 AromaticContact CE1-CD2 3.69Å; Y168-Y285 HydrophobicContact CE1-CD2 3.69Å; Y168-Y285 HydrophobicContact CE1-CE2 4.26Å; Y168-Y285 HydrophobicContact CE2-CD2 4.4Å; Y168-Y285 AromaticContact CZ-CD2 3.66Å; L195-Y285 HydrophobicContact CB-CD1 4.3Å; L195-Y285 HydrophobicContact CD1-CD1 3.96Å; L195-Y285 HydrophobicContact CD1-CE1 4.04Å; L195-Y285 HydrophobicContact CG-CD1 4.35Å; L195-Y285 PolarHBondContact N-O 3.38Å; D196-Y285 PolarHBondContact O-N 2.97Å; Y285-V287 HydrophobicContact CD1-CG2 4.33Å; Y285-V287 HydrophobicContact CE1-CG2 4.1Å
286L97Very high86.5Confident0 Ų048.7 Ų48.70%027%0.273CS..EExtended strand (participates in β ladder)trans-106.8130.9178.8178.5158.6000109.1V162 I163 I192 I194 L210 V212 V259 F284 W288V162-L286 CarbonylContact C-O 3.58Å; V162-L286 VanDerWaalsContact CA-O 3.3Å; V162-L286 WeakPolarHBondContact CA-O 3.04Å; I163-L286 HydrophobicContact CB-CB 4.35Å; I163-L286 HydrophobicContact CB-CD2 4.06Å; I163-L286 HydrophobicContact CD1-CD2 4.21Å; I163-L286 HydrophobicContact CG1-CD2 4.16Å; I163-L286 PolarHBondContact N-O 2.85Å; I163-L286 WeakPolarHBondContact O-CB 3.46Å; I163-L286 PolarHBondContact O-N 2.76Å; I192-L286 HydrophobicContact CD1-CD2 4.16Å; I192-L286 HydrophobicContact CG2-CD1 3.75Å; I192-L286 HydrophobicContact CG2-CD2 4.21Å; I192-L286 HydrophobicContact CG2-CG 3.83Å; I194-L286 HydrophobicContact CD1-CB 3.83Å; I194-L286 HydrophobicContact CD1-CD1 3.75Å; I194-L286 HydrophobicContact CD1-CG 3.81Å; L210-L286 HydrophobicContact CD2-CD1 4.44Å; V212-L286 HydrophobicContact CG2-CD1 4.35Å; V259-L286 HydrophobicContact CG1-CD1 4.08Å; V259-L286 HydrophobicContact CG2-CD1 4.32Å; F284-L286 HydrophobicContact CD2-CB 3.98Å; F284-L286 HydrophobicContact CE2-CB 4.03Å; L286-W288 HydrophobicContact CD2-CB 4.27Å
287V96.9Very high86.9Confident0 Ų042.9 Ų42.90%025%0.248CC..EExtended strand (participates in β ladder)trans-99.7144.1166.1178.20000108.8G161 V162 I192 K193 L195 Y285 I333G161-V287 WeakPolarHBondContact O-CA 3.45Å; V162-V287 HydrophobicContact CG1-CG2 4.29Å; I192-V287 WeakPolarHBondContact CA-O 3.34Å; K193-V287 HydrophobicContact CB-CB 4.39Å; K193-V287 PolarHBondContact N-O 3.09Å; K193-V287 PolarHBondContact O-N 2.94Å; L195-V287 HydrophobicContact CD1-CG2 3.61Å; L195-V287 HydrophobicContact CG-CG2 3.9Å; Y285-V287 HydrophobicContact CD1-CG2 4.33Å; Y285-V287 HydrophobicContact CE1-CG2 4.1Å; V287-I333 HydrophobicContact CB-CG2 4.26Å; V287-I333 HydrophobicContact CG1-CG2 3.69Å; V287-I333 HydrophobicContact CG2-CG2 3.47Å; V287-I333 VanDerWaalsContact CG2-CG2 3.47Å
288W97.5Very high87.2Confident4 Ų442.7 Ų42.72%0.01526%0.264CS..EExtended strand (participates in β ladder)trans-128.6143.5169.274.1-92.3000111A155 Q156 G160 G161 I182 V184 I190 F191 I192 L286A155-W288 HydrophobicContact CB-CZ2 4.47Å; Q156-W288 WeakPolarHBondContact O-CZ2 3.11Å; Q156-W288 PolarHBondContact O-NE1 2.84Å; Q156-W288 VanDerWaalsContact O-NE1 3.17Å; G160-W288 CarbonylContact C-O 3.57Å; G160-W288 WeakPolarHBondContact CA-O 3.15Å; G161-W288 PolarHBondContact N-O 3.32Å; G161-W288 PolarHBondContact O-N 3.24Å; I182-W288 HydrophobicContact CD1-CB 3.75Å; I182-W288 HydrophobicContact CD1-CG 3.9Å; I182-W288 HydrophobicContact CG1-CD2 4.48Å; I182-W288 HydrophobicContact CG1-CG 4.26Å; I182-W288 HydrophobicContact CG2-CD2 3.66Å; I182-W288 HydrophobicContact CG2-CE3 3.52Å; I182-W288 HydrophobicContact CG2-CG 4.2Å; I182-W288 HydrophobicContact CG2-CH2 4.33Å; I182-W288 HydrophobicContact CG2-CZ2 4.44Å; I182-W288 HydrophobicContact CG2-CZ3 3.89Å; V184-W288 HydrophobicContact CG1-CE3 4.44Å; V184-W288 HydrophobicContact CG1-CZ3 3.71Å; I190-W288 HydrophobicContact CG2-CB 4.27Å; I190-W288 HydrophobicContact CG2-CE3 4.41Å; F191-W288 CarbonylContact O-C 3.49Å; F191-W288 VanDerWaalsContact O-CA 3.3Å; F191-W288 WeakPolarHBondContact O-CA 2.99Å; I192-W288 HydrophobicContact CD1-CB 3.64Å; L286-W288 HydrophobicContact CD2-CB 4.27Å
289T96.6Very high87.8Confident0 Ų038 Ų380%025%0.249CC..EExtended strand (participates in β ladder)trans-137.9129.1-172.9-37.70000110.9I190 F191 V291 I324 L328 N335I190-T289 WeakPolarHBondContact CA-O 3.36Å; F191-T289 PolarHBondContact N-O 2.91Å; F191-T289 PolarHBondContact O-N 2.89Å; T289-V291 HydrophobicContact CG2-CG1 4.01Å; T289-V291 PolarHBondContact O-N 2.85Å; T289-I324 HydrophobicContact CG2-CB 4.4Å; T289-I324 HydrophobicContact CG2-CG2 3.66Å; T289-L328 HydrophobicContact CG2-CD1 3.9Å; T289-N335 HydrophobicContact CG2-CB 4.03Å; T289-N335 PolarHBondContact OG1-O 3.09Å
290E96.2Very high88.6Confident10 Ų1037.5 Ų37.55%0.04723%0.23CC..EExtended strand (participates in β ladder)trans-69.9118.9164.1-175.1-179.390.400108Y159 V184 R185 K188Y159-E290 WeakPolarHBondContact O-CA 3.28Å; Y159-E290 WeakPolarHBondContact O-CB 3.21Å; Y159-E290 PolarHBondContact O-N 2.88Å; V184-E290 HydrophobicContact CB-CB 4.22Å; V184-E290 HydrophobicContact CB-CG 3.81Å; V184-E290 WeakPolarHBondContact CB-OE2 3.38Å; V184-E290 HydrophobicContact CG1-CB 3.79Å; V184-E290 HydrophobicContact CG1-CG 3.98Å; V184-E290 HydrophobicContact CG2-CG 4.28Å; R185-E290 WeakPolarHBondContact CG-OE2 3.01Å; R185-E290 IonicContact CZ-OE1 3.8Å; R185-E290 PolarHBondContact N-OE2 2.61Å; R185-E290 VanDerWaalsContact N-OE2 3.09Å; R185-E290 IonicContact NE-OE1 3.06Å; R185-E290 PolarHBondContact NE-OE1 3.08Å; R185-E290 IonicContact NE-OE2 2.85Å; R185-E290 PolarHBondContact NE-OE2 3.07Å; R185-E290 IonicContact NH2-OE1 3.62Å; R185-E290 PolarHBondContact NH2-OE1 3.06Å; K188-E290 HydrophobicContact CB-CG 3.58Å; K188-E290 HydrophobicContact CD-CG 4.39Å; K188-E290 HydrophobicContact CG-CG 3.66Å
291V94.4Very high89.1Confident1 Ų139.3 Ų39.31%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-127.2150.8-178-64.30000111.8Q189 F191 M251 T289 Y322 C323 I324Q189-V291 HydrophobicContact CB-CG2 4.05Å; Q189-V291 PolarHBondContact N-O 3.29Å; Q189-V291 PolarHBondContact O-N 3.2Å; F191-V291 HydrophobicContact CB-CG1 3.94Å; F191-V291 HydrophobicContact CB-CG2 4.22Å; M251-V291 HydrophobicContact CE-CG2 3.91Å; M251-V291 HydrophobicContact SD-CG2 3.61Å; T289-V291 HydrophobicContact CG2-CG1 4.01Å; T289-V291 PolarHBondContact O-N 2.85Å; V291-Y322 HydrophobicContact CG1-CG 4.33Å; V291-C323 WeakPolarHBondContact CA-O 3.34Å; V291-I324 HydrophobicContact CG1-CG2 4.05Å
292S91.3Very high89.2Confident10 Ų1038.4 Ų38.47%0.0722%0.222CC..BIsolated β-bridgetrans-124.2148.8159300000111.4K188 C323K188-S292 VanDerWaalsContact NZ-CB 3.35Å; K188-S292 PolarHBondContact NZ-OG 3.21Å; S292-C323 PolarHBondContact N-O 3.31Å; S292-C323 VanDerWaalsContact N-O 3.1Å; S292-C323 WeakPolarHBondContact O-CB 3.41Å; S292-C323 PolarHBondContact O-N 2.73Å
293I80.7Confident88.8Confident61 Ų6144.9 Ų44.931%0.31325%0.247SC..  trans-102.9-1.2-179.5-55.9175.3000110.4K320 Y322I293-K320 HydrophobicContact CD1-CD 4.16Å; I293-K320 HydrophobicContact CG2-CD 3.93Å; I293-Y322 HydrophobicContact CG1-CD1 4.48Å
294D73.3Confident87.9Confident102 Ų10245.3 Ų45.355%0.54525%0.251SS..  trans-65.6144.5-179.7-53.8-62.9000112.3N296 Y301D294-N296 PolarHBondContact O-N 2.92Å; D294-N296 VanDerWaalsContact O-N 3.08Å; D294-Y301 PolarHBondContact O-OH 2.97Å
295S66.6Low86.4Confident120 Ų12046.7 Ų46.784%0.83927%0.265SS*.SBendtrans-73.45.5-175.954.50000115.5Y301S295-Y301 PolarHBondContact O-OH 2.78Å
296N78.8Confident85Confident148 Ų14850.4 Ų50.479%0.79128%0.284SS*.  trans-129.263.3-177.3-16628.2000111.6D294 Y301D294-N296 PolarHBondContact O-N 2.92Å; D294-N296 VanDerWaalsContact O-N 3.08Å; N296-Y301 PolarHBondContact N-OH 2.86Å
297C84.4Confident83.6Confident20 Ų2054.6 Ų54.614%0.13530%0.3CS..  trans-66.7128.4171.1-164.30000111.2S299 Y301 C323C297-S299 VanDerWaalsContact C-N 3.33Å; C297-S299 PolarHBondContact SG-N 3.15Å; C297-S299 VanDerWaalsContact SG-N 3.43Å; C297-S299 PolarHBondContact SG-O 2.9Å; C297-S299 VanDerWaalsContact SG-O 3.4Å; C297-Y301 HydrophobicContact CB-CD1 3.92Å; C297-Y301 HydrophobicContact CB-CD2 3.87Å; C297-Y301 HydrophobicContact CB-CE1 3.52Å; C297-Y301 HydrophobicContact CB-CE2 3.49Å; C297-Y301 VanDerWaalsContact CB-CE2 3.49Å; C297-Y301 HydrophobicContact CB-CG 4.08Å; C297-Y301 PolarHBondContact N-OH 2.9Å; C297-C323 WeakPolarHBondContact CA-SG 3.3Å; C297-C323 HydrophobicContact CB-CB 3.54Å; C297-C323 WeakPolarHBondContact CB-SG 3.15Å; C297-C323 VanDerWaalsContact SG-CA 3.54Å; C297-C323 WeakPolarHBondContact SG-CB 3.32Å; C297-C323 CovalentContact SG-SG 2.03Å; C297-C323 PolarHBondContact SG-SG 3.13Å
298A82.4Confident82.2Confident101 Ų10157 Ų5784%0.83532%0.316SS*.SBendtrans-94.87170.100000112.8
299S87.3Confident80.7Confident45 Ų4559.8 Ų59.832%0.31533%0.331SS..SBendtrans-132.3-153.8-172.3-54.10000109.2C297 I324 N326C297-S299 VanDerWaalsContact C-N 3.33Å; C297-S299 PolarHBondContact SG-N 3.15Å; C297-S299 VanDerWaalsContact SG-N 3.43Å; C297-S299 PolarHBondContact SG-O 2.9Å; C297-S299 VanDerWaalsContact SG-O 3.4Å; S299-I324 WeakPolarHBondContact CB-O 3.23Å; S299-N326 WeakPolarHBondContact CA-OD1 3.06Å; S299-N326 VanDerWaalsContact CB-OD1 3.31Å; S299-N326 WeakPolarHBondContact CB-OD1 3.22Å
300F90.8Very high79.1Confident48 Ų4864.6 Ų64.621%0.21136%0.357CS..EExtended strand (participates in β ladder)trans-78.9130.5-177.8-173.1-98.5000112.3C323 I324 N326 V329 S342 D343F300-C323 WeakPolarHBondContact O-CA 3.33Å; F300-I324 HydrophobicContact CB-CG1 4.04Å; F300-I324 HydrophobicContact CD1-CD1 3.9Å; F300-I324 HydrophobicContact CD1-CG1 3.87Å; F300-I324 HydrophobicContact CG-CG1 4.45Å; F300-I324 PolarHBondContact N-O 3.28Å; F300-I324 PolarHBondContact O-N 3.45Å; F300-N326 PolarHBondContact N-OD1 2.98Å; F300-V329 HydrophobicContact CB-CG2 3.56Å; F300-V329 HydrophobicContact CD1-CG2 4.02Å; F300-V329 HydrophobicContact CD2-CG1 4.33Å; F300-V329 HydrophobicContact CD2-CG2 3.98Å; F300-V329 HydrophobicContact CE2-CG1 4.49Å; F300-V329 HydrophobicContact CG-CG2 3.58Å; F300-S342 VanDerWaalsContact CZ-O 3.26Å; F300-S342 WeakPolarHBondContact CZ-O 2.9Å; F300-D343 HydrophobicContact CD1-CB 4.47Å; F300-D343 HydrophobicContact CE1-CB 4.04Å
301Y90.2Very high77.3Confident90 Ų9074.6 Ų74.635%0.35340%0.403SS..EExtended strand (participates in β ladder)trans-91.5113.6165.8-87.5-59.4000109.9D294 S295 N296 C297 R303 R321 C323D294-Y301 PolarHBondContact O-OH 2.97Å; S295-Y301 PolarHBondContact O-OH 2.78Å; N296-Y301 PolarHBondContact N-OH 2.86Å; C297-Y301 HydrophobicContact CB-CD1 3.92Å; C297-Y301 HydrophobicContact CB-CD2 3.87Å; C297-Y301 HydrophobicContact CB-CE1 3.52Å; C297-Y301 HydrophobicContact CB-CE2 3.49Å; C297-Y301 VanDerWaalsContact CB-CE2 3.49Å; C297-Y301 HydrophobicContact CB-CG 4.08Å; C297-Y301 PolarHBondContact N-OH 2.9Å; Y301-R303 PolarHBondContact O-N 3.08Å; Y301-R321 HydrophobicContact CD1-CB 4.49Å; Y301-C323 HydrophobicContact CD1-CB 4.45Å; Y301-C323 HydrophobicContact CE1-CB 4.36Å
302C90.3Very high75.6Confident0 Ų077 Ų770%043%0.429CS..  trans-51123156.3-65.40000108.7G304 R321 Y322 C336 D340C302-G304 PolarHBondContact O-N 3.49Å; C302-R321 WeakPolarHBondContact O-CB 3.45Å; C302-Y322 WeakPolarHBondContact CB-O 3.24Å; C302-Y322 PolarHBondContact N-O 2.95Å; C302-C336 VanDerWaalsContact CA-SG 3.52Å; C302-C336 HydrophobicContact CB-CB 3.76Å; C302-C336 WeakPolarHBondContact CB-SG 3.49Å; C302-C336 WeakPolarHBondContact SG-CA 3.45Å; C302-C336 WeakPolarHBondContact SG-CB 3.33Å; C302-C336 CovalentContact SG-SG 2.04Å; C302-C336 PolarHBondContact SG-SG 3.21Å; C302-D340 VanDerWaalsContact CB-OD2 3.3Å; C302-D340 WeakPolarHBondContact CB-OD2 3.17Å
303R84.3Confident74Confident139 Ų13986.2 Ų86.253%0.52547%0.467SS..  trans-59.2-23.6-176.8-67.3-179.7-165.4164.814.3112.2Y301 R321 D340 S342 E345Y301-R303 PolarHBondContact O-N 3.08Å; R303-R321 WeakPolarHBondContact O-CD 3.4Å; R303-R321 WeakPolarHBondContact O-CG 3.29Å; R303-R321 PolarHBondContact O-NE 2.77Å; R303-D340 PolarHBondContact N-OD2 3.44Å; R303-S342 PolarHBondContact N-OG 2.99Å; R303-E345 VanDerWaalsContact CZ-CD 3.46Å; R303-E345 IonicContact CZ-OE1 2.88Å; R303-E345 IonicContact CZ-OE2 2.79Å; R303-E345 IonicContact NE-OE1 2.86Å; R303-E345 IonicContact NH1-OE1 3.83Å; R303-E345 PolarHBondContact NH1-OE1 3.04Å; R303-E345 IonicContact NH1-OE2 3.18Å; R303-E345 PolarHBondContact NH1-OE2 2.82Å; R303-E345 VanDerWaalsContact NH2-CD 3.29Å; R303-E345 IonicContact NH2-OE1 3.7Å; R303-E345 PolarHBondContact NH2-OE1 3.05Å; R303-E345 IonicContact NH2-OE2 2.67Å; R303-E345 PolarHBondContact NH2-OE2 2.83Å
304G74.3Confident73Confident9 Ų987.5 Ų87.59%0.09348%0.482CS..  trans78.2-142.5-172.700000110C302 D340C302-G304 PolarHBondContact O-N 3.49Å; G304-D340 VanDerWaalsContact CA-OD2 3.28Å; G304-D340 WeakPolarHBondContact CA-OD2 3.09Å; G304-D340 PolarHBondContact N-OD2 2.03Å
305G65.7Low72.8Confident29 Ų2987.6 Ų87.630%0.29948%0.481SS..  trans177.7-178.617300000109.2R319G305-R319 VanDerWaalsContact O-CB 3.31Å; G305-R319 WeakPolarHBondContact O-CB 3.37Å; G305-R319 VanDerWaalsContact O-CG 3.3Å; G305-R319 WeakPolarHBondContact O-CG 3.37Å; G305-R319 PolarHBondContact O-N 2.76Å
306E66.6Low73Confident121 Ų12184.1 Ų84.157%0.56546%0.457SS*.EExtended strand (participates in β ladder)trans-104.8135.7175.6-60.9-167.2130.500110.4C316 A317 R319E306-C316 HydrophobicContact CB-CB 4.25Å; E306-A317 WeakPolarHBondContact CA-O 3.33Å; E306-R319 PolarHBondContact O-NH2 2.74Å
307Y66.4Low72.4Confident88 Ų8879.7 Ų79.735%0.34544%0.441SS..EExtended strand (participates in β ladder)trans-97.6102.1166.4178.1-110.3000109.4E245 I309 C316 A317E245-Y307 HydrophobicContact CB-CD2 4.17Å; E245-Y307 HydrophobicContact CB-CE2 4.23Å; E245-Y307 WeakPolarHBondContact OE2-CB 3.25Å; E245-Y307 WeakPolarHBondContact OE2-CD2 3.26Å; Y307-I309 HydrophobicContact CD1-CG1 4.46Å; Y307-I309 HydrophobicContact CE1-CG1 4.08Å; Y307-C316 CarbonylContact O-C 3.54Å; Y307-C316 WeakPolarHBondContact O-CA 3.31Å; Y307-A317 PolarHBondContact N-O 2.76Å; Y307-A317 PolarHBondContact O-N 3.18Å
308C68.2Low71.6Confident50 Ų5085.2 Ų85.234%0.33846%0.464SS..EExtended strand (participates in β ladder)trans-87.2135.4172.4-58.80000110.5C316C308-C316 HydrophobicContact CB-CB 4.07Å; C308-C316 WeakPolarHBondContact CB-SG 3.42Å; C308-C316 WeakPolarHBondContact SG-CB 3.32Å; C308-C316 CovalentContact SG-SG 2.04Å; C308-C316 PolarHBondContact SG-SG 3.33Å
309I66.5Low71.1Confident64 Ų6482.4 Ų82.433%0.32843%0.432SS..SBendtrans-79.9-24.8-171.4-66.7164.8000112.6Y307 I315 K573Y307-I309 HydrophobicContact CD1-CG1 4.46Å; Y307-I309 HydrophobicContact CE1-CG1 4.08Å; I309-I315 HydrophobicContact CD1-CB 4.09Å; I309-I315 HydrophobicContact CD1-CG2 3.73Å; I309-I315 PolarHBondContact N-O 3.37Å; I309-K573 VanDerWaalsContact CG1-NZ 3.27Å; I309-K573 VanDerWaalsContact CG2-NZ 3.27Å
310D62.6Low70.4Confident101 Ų10184.6 Ų84.654%0.5444%0.436SS..SBendtrans-136.2153177.8-61.5-77.6000108.2G312D310-G312 PolarHBondContact O-N 2.93Å
311E58.5Low69.9Low219 Ų21988.4 Ų88.4100%1.02345%0.449SS*.THydrogen-bonded Turntrans-70.227.7178.1-59.6179149.600113.1
312G57.6Low69.7Low52 Ų5285.7 Ų85.754%0.53644%0.438SS..THydrogen-bonded Turntrans-138.527.6-165.500000115.6D310 S314D310-G312 PolarHBondContact O-N 2.93Å; G312-S314 VanDerWaalsContact C-N 3.31Å; G312-S314 PolarHBondContact O-N 3.29Å
313K58.4Low69.8Low203 Ų20386.2 Ų86.288%0.88344%0.442SS*.SBendtrans54.623.3164.8-59.4-168.5175.8-171.60118.2
314S60.1Low70.3Confident89 Ų8979.7 Ų79.762%0.62242%0.417SS*.SBendtrans-102.7-33.1-174.6630000115.8G312G312-S314 VanDerWaalsContact C-N 3.31Å; G312-S314 PolarHBondContact O-N 3.29Å
315I68.8Low71.3Confident104 Ų10481 Ų8153%0.53342%0.422SS..  trans-140.6103.3176.6-46.3177.5000109.5I309I309-I315 HydrophobicContact CD1-CB 4.09Å; I309-I315 HydrophobicContact CD1-CG2 3.73Å; I309-I315 PolarHBondContact N-O 3.37Å
316C70.5Confident72.5Confident47 Ų4784.2 Ų84.232%0.31843%0.433SS..EExtended strand (participates in β ladder)trans-117.9152174-510000110.1E306 Y307 C308E306-C316 HydrophobicContact CB-CB 4.25Å; Y307-C316 CarbonylContact O-C 3.54Å; Y307-C316 WeakPolarHBondContact O-CA 3.31Å; C308-C316 HydrophobicContact CB-CB 4.07Å; C308-C316 WeakPolarHBondContact CB-SG 3.42Å; C308-C316 WeakPolarHBondContact SG-CB 3.32Å; C308-C316 CovalentContact SG-SG 2.04Å; C308-C316 PolarHBondContact SG-SG 3.33Å
317A66.9Low73.8Confident55 Ų5581.9 Ų81.946%0.45543%0.43SS..EExtended strand (participates in β ladder)trans-127.3132.1175.100000110.3E306 Y307 R319E306-A317 WeakPolarHBondContact CA-O 3.33Å; Y307-A317 PolarHBondContact N-O 2.76Å; Y307-A317 PolarHBondContact O-N 3.18Å; A317-R319 PolarHBondContact O-N 2.88Å
318E67.2Low75Confident135 Ų13578.1 Ų78.163%0.63142%0.415SS*.EExtended strand (participates in β ladder)trans-59126.5170.4-72.3-165.7127.100110.1R321E318-R321 IonicContact OE1-CZ 3.46Å; E318-R321 IonicContact OE1-NH2 2.69Å; E318-R321 PolarHBondContact OE1-NH2 3.05Å
319R71.9Confident76.2Confident42 Ų4277.3 Ų77.316%0.15841%0.409CS..PPolyproline II helixtrans-66.6150.1166.1-65.3174.9-174.3125.810.7109.2E245 G305 E306 A317 R321 E338E245-R319 WeakPolarHBondContact OE1-CD 3.38Å; E245-R319 IonicContact OE1-CZ 2.77Å; E245-R319 IonicContact OE1-NE 3.78Å; E245-R319 PolarHBondContact OE1-NE 2.88Å; E245-R319 IonicContact OE2-CZ 3.7Å; E245-R319 IonicContact OE2-NE 2.89Å; E245-R319 PolarHBondContact OE2-NE 3.28Å; E245-R319 IonicContact OE2-NH2 3.64Å; E245-R319 PolarHBondContact OE2-NH2 2.79Å; G305-R319 VanDerWaalsContact O-CB 3.31Å; G305-R319 WeakPolarHBondContact O-CB 3.37Å; G305-R319 VanDerWaalsContact O-CG 3.3Å; G305-R319 WeakPolarHBondContact O-CG 3.37Å; G305-R319 PolarHBondContact O-N 2.76Å; E306-R319 PolarHBondContact O-NH2 2.74Å; A317-R319 PolarHBondContact O-N 2.88Å; R319-R321 PolarHBondContact O-N 3.5Å; R319-R321 VanDerWaalsContact O-N 3.15Å; R319-E338 PolarHBondContact NH1-O 3.14Å
320K72.2Confident77.3Confident91 Ų9174.8 Ų74.840%0.39640%0.397SS..PPolyproline II helixtrans-59.6119.6168.1-77.8-177.7162.4-175.20109.5I293 Y322 L576I293-K320 HydrophobicContact CD1-CD 4.16Å; I293-K320 HydrophobicContact CG2-CD 3.93Å; K320-Y322 HydrophobicContact CB-CD1 4.46Å; K320-Y322 HydrophobicContact CB-CE1 3.85Å; K320-Y322 WeakPolarHBondContact O-CE1 3.49Å; K320-L576 HydrophobicContact CD-CD1 4.22Å
321R80.7Confident78.5Confident129 Ų12972.4 Ų72.449%0.48738%0.384SS..PPolyproline II helixtrans-64.4141.5166.1-62.6-172.5-177.8111.521109Y301 C302 R303 E318 R319Y301-R321 HydrophobicContact CD1-CB 4.49Å; C302-R321 WeakPolarHBondContact O-CB 3.45Å; R303-R321 WeakPolarHBondContact O-CD 3.4Å; R303-R321 WeakPolarHBondContact O-CG 3.29Å; R303-R321 PolarHBondContact O-NE 2.77Å; E318-R321 IonicContact OE1-CZ 3.46Å; E318-R321 IonicContact OE1-NH2 2.69Å; E318-R321 PolarHBondContact OE1-NH2 3.05Å; R319-R321 PolarHBondContact O-N 3.5Å; R319-R321 VanDerWaalsContact O-N 3.15Å
322Y86.6Confident79.8Confident32 Ų3263.4 Ų63.413%0.12535%0.35CS..  trans-111.7134.7177.5-56.9-37.1000109.6F191 M251 V291 I293 C302 K320 A337F191-Y322 HydrophobicContact CD1-CE2 4.39Å; F191-Y322 HydrophobicContact CD2-CE2 4.22Å; F191-Y322 HydrophobicContact CE1-CE2 4.38Å; F191-Y322 HydrophobicContact CE2-CE2 4.21Å; F191-Y322 HydrophobicContact CG-CE2 4.31Å; F191-Y322 HydrophobicContact CZ-CE2 4.3Å; M251-Y322 HydrophobicContact CE-CD1 4.14Å; M251-Y322 HydrophobicContact CE-CE1 3.48Å; M251-Y322 VanDerWaalsContact CE-CE1 3.48Å; M251-Y322 HydrophobicContact CE-CE2 4.02Å; M251-Y322 VanDerWaalsContact CE-CZ 3.42Å; V291-Y322 HydrophobicContact CG1-CG 4.33Å; I293-Y322 HydrophobicContact CG1-CD1 4.48Å; C302-Y322 WeakPolarHBondContact CB-O 3.24Å; C302-Y322 PolarHBondContact N-O 2.95Å; K320-Y322 HydrophobicContact CB-CD1 4.46Å; K320-Y322 HydrophobicContact CB-CE1 3.85Å; K320-Y322 WeakPolarHBondContact O-CE1 3.49Å; Y322-A337 HydrophobicContact CD2-CB 4.25Å; Y322-A337 HydrophobicContact CE2-CB 3.82Å
323C92.9Very high81.4Confident11 Ų1162.4 Ų62.47%0.07433%0.332CS..EExtended strand (participates in β ladder)trans-87.7119.8166.71770000108.6V291 S292 C297 F300 Y301V291-C323 WeakPolarHBondContact CA-O 3.34Å; S292-C323 PolarHBondContact N-O 3.31Å; S292-C323 VanDerWaalsContact N-O 3.1Å; S292-C323 WeakPolarHBondContact O-CB 3.41Å; S292-C323 PolarHBondContact O-N 2.73Å; C297-C323 WeakPolarHBondContact CA-SG 3.3Å; C297-C323 HydrophobicContact CB-CB 3.54Å; C297-C323 WeakPolarHBondContact CB-SG 3.15Å; C297-C323 VanDerWaalsContact SG-CA 3.54Å; C297-C323 WeakPolarHBondContact SG-CB 3.32Å; C297-C323 CovalentContact SG-SG 2.03Å; C297-C323 PolarHBondContact SG-SG 3.13Å; F300-C323 WeakPolarHBondContact O-CA 3.33Å; Y301-C323 HydrophobicContact CD1-CB 4.45Å; Y301-C323 HydrophobicContact CE1-CB 4.36Å
324I94Very high82.9Confident3 Ų354 Ų542%0.01530%0.298CS..EExtended strand (participates in β ladder)trans-118.2160.7176.964.6171.6000110.5T289 V291 S299 F300 L328 N335 D343T289-I324 HydrophobicContact CG2-CB 4.4Å; T289-I324 HydrophobicContact CG2-CG2 3.66Å; V291-I324 HydrophobicContact CG1-CG2 4.05Å; S299-I324 WeakPolarHBondContact CB-O 3.23Å; F300-I324 HydrophobicContact CB-CG1 4.04Å; F300-I324 HydrophobicContact CD1-CD1 3.9Å; F300-I324 HydrophobicContact CD1-CG1 3.87Å; F300-I324 HydrophobicContact CG-CG1 4.45Å; F300-I324 PolarHBondContact N-O 3.28Å; F300-I324 PolarHBondContact O-N 3.45Å; I324-L328 HydrophobicContact CB-CD1 4.48Å; I324-L328 HydrophobicContact CD1-CB 4.19Å; I324-N335 HydrophobicContact CD1-CB 4.33Å; I324-D343 HydrophobicContact CD1-CB 4.1Å
325D94.4Very high84.5Confident36 Ų3649.9 Ų49.919%0.19327%0.269CS..  trans-70.6145.8176.5-170.6-94.7000112.1Y159 S327 L328Y159-D325 HydrophobicContact CD1-CB 4.37Å; Y159-D325 HydrophobicContact CD2-CB 3.73Å; Y159-D325 VanDerWaalsContact CD2-CG 3.47Å; Y159-D325 WeakPolarHBondContact CD2-OD1 3.21Å; Y159-D325 HydrophobicContact CE2-CB 4.35Å; Y159-D325 HydrophobicContact CG-CB 3.72Å; D325-S327 PolarHBondContact O-N 2.82Å; D325-S327 VanDerWaalsContact O-N 3.11Å; D325-S327 WeakPolarHBondContact OD1-CB 3.45Å; D325-S327 PolarHBondContact OD1-N 3.03Å; D325-S327 PolarHBondContact OD1-OG 3.48Å; D325-L328 WeakPolarHBondContact O-CB 3.44Å; D325-L328 PolarHBondContact O-N 2.99Å
326N92.4Very high85.5Confident97 Ų9744.9 Ų44.952%0.51924%0.244SC..G310 helixtrans-64.2-16.7-177.8-68.8-4.4000113.7S299 F300 L328S299-N326 WeakPolarHBondContact CA-OD1 3.06Å; S299-N326 VanDerWaalsContact CB-OD1 3.31Å; S299-N326 WeakPolarHBondContact CB-OD1 3.22Å; F300-N326 PolarHBondContact N-OD1 2.98Å; N326-L328 PolarHBondContact O-N 3.28Å
327S92.4Very high86.2Confident72 Ų7242.9 Ų42.950%0.50323%0.23SC..G310 helixtrans-75.3-2.4173.358.30000114.5Y159 D325Y159-S327 WeakPolarHBondContact CD2-OG 3.39Å; D325-S327 PolarHBondContact O-N 2.82Å; D325-S327 VanDerWaalsContact O-N 3.11Å; D325-S327 WeakPolarHBondContact OD1-CB 3.45Å; D325-S327 PolarHBondContact OD1-N 3.03Å; D325-S327 PolarHBondContact OD1-OG 3.48Å
328L93.3Very high86.8Confident9 Ų941 Ų415%0.04721%0.212CC..G310 helixtrans-109.321.1178.5-55.9-179.9000112.7Y159 T289 I324 D325 N326 N335Y159-L328 WeakPolarHBondContact O-CD1 3.34Å; T289-L328 HydrophobicContact CG2-CD1 3.9Å; I324-L328 HydrophobicContact CB-CD1 4.48Å; I324-L328 HydrophobicContact CD1-CB 4.19Å; D325-L328 WeakPolarHBondContact O-CB 3.44Å; D325-L328 PolarHBondContact O-N 2.99Å; N326-L328 PolarHBondContact O-N 3.28Å; L328-N335 HydrophobicContact CB-CB 4.38Å; L328-N335 PolarHBondContact O-ND2 2.92Å
329V91.6Very high87.3Confident32 Ų3242.1 Ų42.119%0.19422%0.215CC..SBendtrans-114.1125.3-177.7-177.60000108.4F300 D331 D343 C385F300-V329 HydrophobicContact CB-CG2 3.56Å; F300-V329 HydrophobicContact CD1-CG2 4.02Å; F300-V329 HydrophobicContact CD2-CG1 4.33Å; F300-V329 HydrophobicContact CD2-CG2 3.98Å; F300-V329 HydrophobicContact CE2-CG1 4.49Å; F300-V329 HydrophobicContact CG-CG2 3.58Å; V329-D331 VanDerWaalsContact C-N 3.26Å; V329-D331 PolarHBondContact O-N 3.01Å; V329-D343 WeakPolarHBondContact CG1-O 3.23Å; V329-C385 PolarHBondContact O-SG 2.7Å; V329-C385 VanDerWaalsContact O-SG 3.37Å
330C89.9Confident87.9Confident11 Ų1140.4 Ų40.47%0.07421%0.209CC..SBendtrans47.744.6-166.914.50000113.7D343 E344 L347 C385C330-D343 PolarHBondContact N-O 2.89Å; C330-E344 WeakPolarHBondContact CA-OE1 3.15Å; C330-E344 PolarHBondContact N-OE1 3.27Å; C330-L347 VanDerWaalsContact C-CD1 3.48Å; C330-L347 HydrophobicContact CB-CB 4.08Å; C330-L347 HydrophobicContact CB-CD1 3.62Å; C330-L347 HydrophobicContact CB-CG 4.49Å; C330-L347 WeakPolarHBondContact O-CD1 3.28Å; C330-C385 HydrophobicContact CB-CB 4.04Å; C330-C385 WeakPolarHBondContact CB-SG 3.23Å; C330-C385 VanDerWaalsContact SG-CA 3.5Å; C330-C385 WeakPolarHBondContact SG-CB 3.12Å; C330-C385 CovalentContact SG-SG 2.03Å; C330-C385 PolarHBondContact SG-SG 3.12Å
331D88.3Confident88.5Confident52 Ų5240.3 Ų40.328%0.27821%0.213SC..SBendtrans-89.6-7.6174.880.8-9000113.2V329 I333 N335 E344V329-D331 VanDerWaalsContact C-N 3.26Å; V329-D331 PolarHBondContact O-N 3.01Å; D331-I333 WeakPolarHBondContact OD1-CA 3.29Å; D331-I333 WeakPolarHBondContact OD1-CB 3.42Å; D331-I333 PolarHBondContact OD1-N 2.89Å; D331-N335 PolarHBondContact OD1-ND2 2.89Å; D331-N335 PolarHBondContact OD2-ND2 3.23Å; D331-E344 PolarHBondContact N-OE1 2.98Å
332G86.8Confident88.9Confident30 Ų3034.5 Ų34.531%0.30919%0.192SC..SBendtrans93.76.8-176.400000113.9E344G332-E344 VanDerWaalsContact C-OE2 3.3Å; G332-E344 WeakPolarHBondContact CA-OE2 3.25Å; G332-E344 PolarHBondContact N-OE1 2.75Å; G332-E344 PolarHBondContact N-OE2 3.26Å
333I90.3Very high89.1Confident30 Ų3033 Ų3315%0.15419%0.186CC..SBendtrans-129.7124.6-175-52.5170.2000108.7V162 V287 D331 N335 E344V162-I333 HydrophobicContact CG1-CD1 3.85Å; V287-I333 HydrophobicContact CB-CG2 4.26Å; V287-I333 HydrophobicContact CG1-CG2 3.69Å; V287-I333 HydrophobicContact CG2-CG2 3.47Å; V287-I333 VanDerWaalsContact CG2-CG2 3.47Å; D331-I333 WeakPolarHBondContact OD1-CA 3.29Å; D331-I333 WeakPolarHBondContact OD1-CB 3.42Å; D331-I333 PolarHBondContact OD1-N 2.89Å; I333-N335 VanDerWaalsContact C-N 3.3Å; I333-N335 PolarHBondContact O-N 3.34Å; I333-N335 PolarHBondContact O-ND2 3.14Å; I333-E344 PolarHBondContact N-OE2 2.96Å
334P90.4Very high89Confident28 Ų2833.7 Ų33.718%0.18219%0.188CC..  trans-77.383.8177.332.5-35.5000109.8K193 L195 C336 N341K193-P334 VanDerWaalsContact CD-O 3.31Å; K193-P334 WeakPolarHBondContact CD-O 3.12Å; K193-P334 WeakPolarHBondContact CE-O 3.36Å; K193-P334 PolarHBondContact NZ-O 3.02Å; L195-P334 HydrophobicContact CD1-CG 4.21Å; L195-P334 HydrophobicContact CD2-CG 4.03Å; P334-C336 VanDerWaalsContact C-N 3.34Å; P334-N341 WeakPolarHBondContact CB-OD1 3.37Å
335N92.7Very high88.5Confident1 Ų138.7 Ų38.71%0.00521%0.212CC..  trans-71.7-23.7-177.3-70.2-62.3000113.3T289 I324 L328 D331 I333 D343T289-N335 HydrophobicContact CG2-CB 4.03Å; T289-N335 PolarHBondContact OG1-O 3.09Å; I324-N335 HydrophobicContact CD1-CB 4.33Å; L328-N335 HydrophobicContact CB-CB 4.38Å; L328-N335 PolarHBondContact O-ND2 2.92Å; D331-N335 PolarHBondContact OD1-ND2 2.89Å; D331-N335 PolarHBondContact OD2-ND2 3.23Å; I333-N335 VanDerWaalsContact C-N 3.3Å; I333-N335 PolarHBondContact O-N 3.34Å; I333-N335 PolarHBondContact O-ND2 3.14Å; N335-D343 WeakPolarHBondContact CA-OD2 3.32Å; N335-D343 WeakPolarHBondContact CB-OD2 3.33Å; N335-D343 PolarHBondContact N-OD2 3.43Å
336C90.7Very high87.8Confident0 Ų041.3 Ų41.30%023%0.226CC..SBendtrans-69.5-176.9174.4-71.90000114.1F191 K193 C302 P334 D340 D343F191-C336 WeakPolarHBondContact CE1-O 3.39Å; K193-C336 WeakPolarHBondContact CD-O 3.19Å; K193-C336 PolarHBondContact NZ-O 2.87Å; C302-C336 VanDerWaalsContact CA-SG 3.52Å; C302-C336 HydrophobicContact CB-CB 3.76Å; C302-C336 WeakPolarHBondContact CB-SG 3.49Å; C302-C336 WeakPolarHBondContact SG-CA 3.45Å; C302-C336 WeakPolarHBondContact SG-CB 3.33Å; C302-C336 CovalentContact SG-SG 2.04Å; C302-C336 PolarHBondContact SG-SG 3.21Å; P334-C336 VanDerWaalsContact C-N 3.34Å; C336-D340 HydrophobicContact CB-CB 4.05Å; C336-D343 PolarHBondContact N-OD2 2.82Å; C336-D343 PolarHBondContact SG-OD2 3.01Å; C336-D343 VanDerWaalsContact SG-OD2 3.37Å
337A85.2Confident87Confident4 Ų439.1 Ų39.13%0.03321%0.214CC..SBendtrans-61.7177-172.400000115K193 Y322 F339 D340K193-A337 WeakPolarHBondContact CE-O 3.31Å; K193-A337 PolarHBondContact NZ-O 3.1Å; Y322-A337 HydrophobicContact CD2-CB 4.25Å; Y322-A337 HydrophobicContact CE2-CB 3.82Å; A337-F339 PolarHBondContact O-N 3.45Å; A337-D340 HydrophobicContact CB-CB 4Å; A337-D340 PolarHBondContact O-N 2.92Å; A337-D340 VanDerWaalsContact O-O 3.08Å
338E79.5Confident86Confident17 Ų1739.6 Ų39.68%0.07921%0.21CC..THydrogen-bonded Turntrans-64132.5167-73.4179.5-148.700110E245 G246 S249 R319 D340E245-E338 HydrophobicContact CG-CB 4.11Å; G246-E338 WeakPolarHBondContact CA-OE1 3.33Å; G246-E338 PolarHBondContact N-OE1 3.03Å; G246-E338 PolarHBondContact N-OE2 2.58Å; S249-E338 WeakPolarHBondContact CB-OE1 3.41Å; S249-E338 PolarHBondContact N-OE1 2.89Å; S249-E338 VanDerWaalsContact N-OE1 3.12Å; S249-E338 PolarHBondContact OG-OE1 2.91Å; R319-E338 PolarHBondContact NH1-O 3.14Å; E338-D340 PolarHBondContact O-N 2.89Å
339F76.8Confident84.3Confident158 Ų15843.9 Ų43.969%0.69323%0.232SC*.THydrogen-bonded Turntrans6015-172.4-44.6-80.4000115.8E245 A337E245-F339 HydrophobicContact CB-CE2 4.48Å; E245-F339 HydrophobicContact CG-CD2 4.45Å; E245-F339 HydrophobicContact CG-CE2 4.3Å; A337-F339 PolarHBondContact O-N 3.45Å
340D85.2Confident82.5Confident6 Ų644.1 Ų44.13%0.03223%0.234CC..  trans-113.7120.3166.9-175.4-1.9000108.7C302 R303 G304 C336 A337 E338 S342C302-D340 VanDerWaalsContact CB-OD2 3.3Å; C302-D340 WeakPolarHBondContact CB-OD2 3.17Å; R303-D340 PolarHBondContact N-OD2 3.44Å; G304-D340 VanDerWaalsContact CA-OD2 3.28Å; G304-D340 WeakPolarHBondContact CA-OD2 3.09Å; G304-D340 PolarHBondContact N-OD2 2.03Å; C336-D340 HydrophobicContact CB-CB 4.05Å; A337-D340 HydrophobicContact CB-CB 4Å; A337-D340 PolarHBondContact O-N 2.92Å; A337-D340 VanDerWaalsContact O-O 3.08Å; E338-D340 PolarHBondContact O-N 2.89Å; D340-S342 VanDerWaalsContact OD1-CB 3.25Å; D340-S342 WeakPolarHBondContact OD1-CB 3.48Å; D340-S342 PolarHBondContact OD1-N 3.34Å; D340-S342 PolarHBondContact OD1-OG 2.94Å
341N85Confident80.6Confident88 Ų8848.6 Ų48.647%0.47126%0.26SS..  trans-128.227.4174.7-49.1-53.5000110.1P334 D343 E344 E345P334-N341 WeakPolarHBondContact CB-OD1 3.37Å; N341-D343 WeakPolarHBondContact CA-OD1 3.29Å; N341-D343 PolarHBondContact O-N 2.93Å; N341-E344 PolarHBondContact O-N 2.77Å; N341-E345 PolarHBondContact O-N 2.77Å
342S89.6Confident78.7Confident7 Ų750.3 Ų50.35%0.04927%0.273CS..THydrogen-bonded Turntrans-68.5-18.7-174.354.70000114.1F300 R303 D340 E344 E345F300-S342 VanDerWaalsContact CZ-O 3.26Å; F300-S342 WeakPolarHBondContact CZ-O 2.9Å; R303-S342 PolarHBondContact N-OG 2.99Å; D340-S342 VanDerWaalsContact OD1-CB 3.25Å; D340-S342 WeakPolarHBondContact OD1-CB 3.48Å; D340-S342 PolarHBondContact OD1-N 3.34Å; D340-S342 PolarHBondContact OD1-OG 2.94Å; S342-E344 VanDerWaalsContact C-N 3.31Å; S342-E345 WeakPolarHBondContact CA-OE1 3.47Å; S342-E345 WeakPolarHBondContact CB-OE1 3.46Å
343D90.8Very high77Confident1 Ų150.5 Ų50.51%0.00527%0.265CS..THydrogen-bonded Turntrans-62.1-33.3164.245.5-5.1000113F300 I324 V329 C330 N335 C336 N341F300-D343 HydrophobicContact CD1-CB 4.47Å; F300-D343 HydrophobicContact CE1-CB 4.04Å; I324-D343 HydrophobicContact CD1-CB 4.1Å; V329-D343 WeakPolarHBondContact CG1-O 3.23Å; C330-D343 PolarHBondContact N-O 2.89Å; N335-D343 WeakPolarHBondContact CA-OD2 3.32Å; N335-D343 WeakPolarHBondContact CB-OD2 3.33Å; N335-D343 PolarHBondContact N-OD2 3.43Å; C336-D343 PolarHBondContact N-OD2 2.82Å; C336-D343 PolarHBondContact SG-OD2 3.01Å; C336-D343 VanDerWaalsContact SG-OD2 3.37Å; N341-D343 WeakPolarHBondContact CA-OD1 3.29Å; N341-D343 PolarHBondContact O-N 2.93Å
344E89.7Confident74.9Confident25 Ų2554.9 Ų54.912%0.11728%0.28CS..THydrogen-bonded Turntrans-104.80.2-172.1-65.1-65.4108.300114.1C330 D331 G332 I333 N341 S342 N346 L347C330-E344 WeakPolarHBondContact CA-OE1 3.15Å; C330-E344 PolarHBondContact N-OE1 3.27Å; D331-E344 PolarHBondContact N-OE1 2.98Å; G332-E344 VanDerWaalsContact C-OE2 3.3Å; G332-E344 WeakPolarHBondContact CA-OE2 3.25Å; G332-E344 PolarHBondContact N-OE1 2.75Å; G332-E344 PolarHBondContact N-OE2 3.26Å; I333-E344 PolarHBondContact N-OE2 2.96Å; N341-E344 PolarHBondContact O-N 2.77Å; S342-E344 VanDerWaalsContact C-N 3.31Å; E344-N346 VanDerWaalsContact C-N 3.27Å; E344-N346 PolarHBondContact O-N 2.84Å; E344-L347 WeakPolarHBondContact O-CB 3.25Å; E344-L347 PolarHBondContact O-N 2.88Å; E344-L347 VanDerWaalsContact O-N 3.15Å; E344-L347 WeakPolarHBondContact OE2-CD1 3.3Å; E344-L347 WeakPolarHBondContact OE2-CD2 3.1Å
345E84.3Confident72.4Confident108 Ų10858.9 Ų58.951%0.50530%0.296SS..THydrogen-bonded Turntrans-60.2-31.4-177.6-82.6177.1-135.900114.2R303 N341 S342R303-E345 VanDerWaalsContact CZ-CD 3.46Å; R303-E345 IonicContact CZ-OE1 2.88Å; R303-E345 IonicContact CZ-OE2 2.79Å; R303-E345 IonicContact NE-OE1 2.86Å; R303-E345 IonicContact NH1-OE1 3.83Å; R303-E345 PolarHBondContact NH1-OE1 3.04Å; R303-E345 IonicContact NH1-OE2 3.18Å; R303-E345 PolarHBondContact NH1-OE2 2.82Å; R303-E345 VanDerWaalsContact NH2-CD 3.29Å; R303-E345 IonicContact NH2-OE1 3.7Å; R303-E345 PolarHBondContact NH2-OE1 3.05Å; R303-E345 IonicContact NH2-OE2 2.67Å; R303-E345 PolarHBondContact NH2-OE2 2.83Å; N341-E345 PolarHBondContact O-N 2.77Å; S342-E345 WeakPolarHBondContact CA-OE1 3.47Å; S342-E345 WeakPolarHBondContact CB-OE1 3.46Å
346N78.9Confident70.3Confident91 Ų9165.2 Ų65.249%0.48732%0.32SS..THydrogen-bonded Turntrans-92.311.4-179.2-67.6-23.1000113.5E344 I348 C385 D386E344-N346 VanDerWaalsContact C-N 3.27Å; E344-N346 PolarHBondContact O-N 2.84Å; N346-I348 PolarHBondContact O-N 2.83Å; N346-C385 CarbonylContact O-C 3.55Å; N346-C385 WeakPolarHBondContact O-CA 3.46Å; N346-D386 PolarHBondContact O-N 3.11Å
347L76.9Confident68.2Low51 Ų5171.4 Ų71.427%0.26734%0.343SS..EExtended strand (participates in β ladder)trans-74101.7-173.4-171.483.7000113C330 E344 F383C330-L347 VanDerWaalsContact C-CD1 3.48Å; C330-L347 HydrophobicContact CB-CB 4.08Å; C330-L347 HydrophobicContact CB-CD1 3.62Å; C330-L347 HydrophobicContact CB-CG 4.49Å; C330-L347 WeakPolarHBondContact O-CD1 3.28Å; E344-L347 WeakPolarHBondContact O-CB 3.25Å; E344-L347 PolarHBondContact O-N 2.88Å; E344-L347 VanDerWaalsContact O-N 3.15Å; E344-L347 WeakPolarHBondContact OE2-CD1 3.3Å; E344-L347 WeakPolarHBondContact OE2-CD2 3.1Å; L347-F383 HydrophobicContact CD1-CB 3.58Å; L347-F383 HydrophobicContact CD1-CD1 3.69Å; L347-F383 HydrophobicContact CD1-CE1 4.47Å; L347-F383 HydrophobicContact CD1-CG 3.72Å; L347-F383 HydrophobicContact CD2-CD1 3.75Å; L347-F383 HydrophobicContact CD2-CE1 3.8Å; L347-F383 HydrophobicContact CG-CB 4.38Å; L347-F383 HydrophobicContact CG-CD1 3.73Å; L347-F383 HydrophobicContact CG-CE1 4.31Å; L347-F383 HydrophobicContact CG-CG 4.28Å
348I69.6Low66.2Low82 Ų8277.9 Ų77.942%0.42137%0.367SS..EExtended strand (participates in β ladder)trans-91.3123.3172.4-62.2-174.3000111.1N346 T350 V384 D386N346-I348 PolarHBondContact O-N 2.83Å; I348-T350 PolarHBondContact O-N 3.15Å; I348-V384 WeakPolarHBondContact CA-O 3.46Å; I348-V384 WeakPolarHBondContact CB-O 3.35Å; I348-V384 PolarHBondContact N-O 2.77Å; I348-V384 PolarHBondContact O-N 3.48Å; I348-D386 HydrophobicContact CD1-CB 3.67Å; I348-D386 HydrophobicContact CG1-CB 4.23Å
349L58.4Low64.7Low100 Ų10080 Ų8052%0.52438%0.384SS..EExtended strand (participates in β ladder)trans-70.5120.9164.6-81.8169000110.6V351 F383L349-V351 PolarHBondContact O-N 3.2Å; L349-F383 HydrophobicContact CD2-CD1 3.89Å; L349-F383 HydrophobicContact CD2-CE1 3.52Å; L349-F383 HydrophobicContact CD2-CZ 4.5Å; L349-F383 HydrophobicContact CG-CD1 4.49Å; L349-F383 HydrophobicContact CG-CE1 4.3Å
350T54.3Low63.3Low37 Ų3776.9 Ų76.923%0.22737%0.367CS..PPolyproline II helixtrans-59.4135176.349.20000112.1I348 V352 H353 W354 D382 V384I348-T350 PolarHBondContact O-N 3.15Å; T350-V352 PolarHBondContact O-N 3.37Å; T350-V352 VanDerWaalsContact O-N 3.08Å; T350-H353 PolarHBondContact O-N 3Å; T350-W354 PolarHBondContact O-N 2.98Å; T350-W354 VanDerWaalsContact O-N 3.08Å; T350-D382 WeakPolarHBondContact CG2-O 3.48Å; T350-D382 PolarHBondContact OG1-O 2.89Å; T350-V384 HydrophobicContact CG2-CG2 3.72Å
351V49.3Very low61.6Low104 Ų10482.1 Ų82.163%0.6339%0.39SS*.Hα-helixtrans-54.6-34.9-174.4178.70000112.5L349 H353 W354 Q355L349-V351 PolarHBondContact O-N 3.2Å; V351-H353 VanDerWaalsContact C-N 3.34Å; V351-H353 PolarHBondContact O-N 2.85Å; V351-W354 PolarHBondContact O-N 2.92Å; V351-Q355 WeakPolarHBondContact O-CG 3.42Å; V351-Q355 PolarHBondContact O-N 2.88Å
352V49.2Very low59.6Low88 Ų8883.7 Ų83.753%0.53339%0.394SS..Hα-helixtrans-61.4-39.9176.2-179.20000111.7T350 R356T350-V352 PolarHBondContact O-N 3.37Å; T350-V352 VanDerWaalsContact O-N 3.08Å; V352-R356 WeakPolarHBondContact O-CG 3.4Å; V352-R356 PolarHBondContact O-N 3.13Å
353H49.6Very low57.4Low34 Ų3488 Ų8816%0.15742%0.416CS..Hα-helixtrans-78.7-33.6177.7-88.3-104.4000112.8T350 V351 Q355 R356 W357 F379 E380 G381 D382T350-H353 PolarHBondContact O-N 3Å; V351-H353 VanDerWaalsContact C-N 3.34Å; V351-H353 PolarHBondContact O-N 2.85Å; H353-Q355 VanDerWaalsContact C-N 3.34Å; H353-Q355 PolarHBondContact O-N 2.85Å; H353-R356 PolarHBondContact O-N 3.43Å; H353-W357 WeakPolarHBondContact O-CB 3.38Å; H353-W357 PolarHBondContact O-N 3.22Å; H353-F379 AromaticContact CE1-CD1 3.56Å; H353-F379 AromaticContact ND1-CD1 3.79Å; H353-E380 PolarHBondContact CE1-O 2.97Å; H353-G381 WeakPolarHBondContact CE1-CA 3.49Å; H353-D382 IonicContact NE2-OD2 3.18Å; H353-D382 PolarHBondContact NE2-OD2 3.02Å
354W46.7Very low55.1Low123 Ų12391.8 Ų91.847%0.46644%0.437SS..Hα-helixtrans-59.4-44.7169.8-170.687.9000111.9T350 V351 W357 R358T350-W354 PolarHBondContact O-N 2.98Å; T350-W354 VanDerWaalsContact O-N 3.08Å; V351-W354 PolarHBondContact O-N 2.92Å; W354-W357 PolarHBondContact O-N 2.82Å; W354-R358 WeakPolarHBondContact O-CB 3.47Å; W354-R358 PolarHBondContact O-N 2.82Å
355Q38.3Very low52.9Low111 Ų11193.9 Ų93.952%0.51946%0.458SS..Hα-helixtrans-62.8-47.3173.9-71.8-175.81.900112V351 H353 W357 R358 S359V351-Q355 WeakPolarHBondContact O-CG 3.42Å; V351-Q355 PolarHBondContact O-N 2.88Å; H353-Q355 VanDerWaalsContact C-N 3.34Å; H353-Q355 PolarHBondContact O-N 2.85Å; Q355-W357 PolarHBondContact O-N 2.83Å; Q355-R358 PolarHBondContact O-N 3.06Å; Q355-S359 PolarHBondContact O-N 3.03Å; Q355-S359 PolarHBondContact O-OG 2.92Å
356R47.8Very low50.8Low134 Ų13495.6 Ų95.651%0.50647%0.47SS..Hα-helixtrans-58-44.5176.1-79173.9167.7178.3-2.6112.7V352 H353 R360 F379V352-R356 WeakPolarHBondContact O-CG 3.4Å; V352-R356 PolarHBondContact O-N 3.13Å; H353-R356 PolarHBondContact O-N 3.43Å; R356-R360 VanDerWaalsContact O-CB 3.23Å; R356-R360 WeakPolarHBondContact O-CB 3.26Å; R356-R360 PolarHBondContact O-N 2.9Å; R356-F379 HydrophobicContact CB-CE1 4.49Å; R356-F379 HydrophobicContact CB-CZ 4.36Å
357W47.5Very low49.2Very low130 Ų13095.4 Ų95.449%0.49247%0.472SS..Hα-helixtrans-62.3-44.3177-179.297.5000111.6H353 W354 Q355 R360 K361H353-W357 WeakPolarHBondContact O-CB 3.38Å; H353-W357 PolarHBondContact O-N 3.22Å; W354-W357 PolarHBondContact O-N 2.82Å; Q355-W357 PolarHBondContact O-N 2.83Å; W357-R360 PolarHBondContact O-N 2.88Å; W357-K361 HydrophobicContact CD2-CD 4.32Å; W357-K361 HydrophobicContact CE3-CD 4.28Å; W357-K361 HydrophobicContact CH2-CD 3.79Å; W357-K361 VanDerWaalsContact CH2-NZ 3.34Å; W357-K361 HydrophobicContact CZ2-CD 3.79Å; W357-K361 HydrophobicContact CZ3-CD 4.01Å; W357-K361 PolarHBondContact O-N 2.9Å
358R42.6Very low47.4Very low140 Ų140102.8 Ų102.853%0.52850%0.496SS..Hα-helixtrans-64.5-47179.1-162.6173.8-170.4-171.82.7111.6W354 Q355 R360 K361 Q362W354-R358 WeakPolarHBondContact O-CB 3.47Å; W354-R358 PolarHBondContact O-N 2.82Å; Q355-R358 PolarHBondContact O-N 3.06Å; R358-R360 VanDerWaalsContact C-N 3.34Å; R358-R360 PolarHBondContact O-N 3.17Å; R358-K361 PolarHBondContact O-N 3.22Å; R358-Q362 WeakPolarHBondContact O-CG 3.27Å; R358-Q362 PolarHBondContact O-N 3.16Å; R358-Q362 VanDerWaalsContact O-N 3.08Å
359S47.8Very low45.6Very low61 Ų61102.8 Ų102.843%0.42752%0.516SS..Hα-helixtrans-64.1-36174.4-61.90000112.7Q355 Q362 L363Q355-S359 PolarHBondContact O-N 3.03Å; Q355-S359 PolarHBondContact O-OG 2.92Å; S359-Q362 PolarHBondContact O-N 3.08Å; S359-L363 PolarHBondContact O-N 3.43Å
360R49Very low44.4Very low94 Ų94101 Ų10136%0.35552%0.522SS..Hα-helixtrans-71.5-39.2177.4-163.9173.2179.8-174.4-4.9112.1R356 W357 R358 Q362 L363 D364R356-R360 VanDerWaalsContact O-CB 3.23Å; R356-R360 WeakPolarHBondContact O-CB 3.26Å; R356-R360 PolarHBondContact O-N 2.9Å; W357-R360 PolarHBondContact O-N 2.88Å; R358-R360 VanDerWaalsContact C-N 3.34Å; R358-R360 PolarHBondContact O-N 3.17Å; R360-Q362 VanDerWaalsContact C-N 3.29Å; R360-Q362 PolarHBondContact O-N 2.61Å; R360-L363 CarbonylContact O-C 3.57Å; R360-L363 PolarHBondContact O-N 2.84Å; R360-L363 VanDerWaalsContact O-N 3.16Å; R360-D364 WeakPolarHBondContact O-CB 3.36Å; R360-D364 PolarHBondContact O-N 3.42Å
361K48.3Very low43.1Very low116 Ų116103.2 Ų103.250%0.50455%0.553SS.*Hα-helixtrans-61.8-34.6169.6-88.3-167.7171.1-177.60113W357 R358 A365W357-K361 HydrophobicContact CD2-CD 4.32Å; W357-K361 HydrophobicContact CE3-CD 4.28Å; W357-K361 HydrophobicContact CH2-CD 3.79Å; W357-K361 VanDerWaalsContact CH2-NZ 3.34Å; W357-K361 HydrophobicContact CZ2-CD 3.79Å; W357-K361 HydrophobicContact CZ3-CD 4.01Å; W357-K361 PolarHBondContact O-N 2.9Å; R358-K361 PolarHBondContact O-N 3.22Å; K361-A365 WeakPolarHBondContact O-CB 3.44Å; K361-A365 PolarHBondContact O-N 3.19Å
362Q44.1Very low42.2Very low120 Ų120103.8 Ų103.856%0.56156%0.561SS**Hα-helixtrans-67.6-42.5171.6-72.1175.9-45.100111.7R358 S359 R360 A365 L366R358-Q362 WeakPolarHBondContact O-CG 3.27Å; R358-Q362 PolarHBondContact O-N 3.16Å; R358-Q362 VanDerWaalsContact O-N 3.08Å; S359-Q362 PolarHBondContact O-N 3.08Å; R360-Q362 VanDerWaalsContact C-N 3.29Å; R360-Q362 PolarHBondContact O-N 2.61Å; Q362-A365 PolarHBondContact O-N 2.93Å; Q362-L366 WeakPolarHBondContact O-CD1 3.39Å; Q362-L366 VanDerWaalsContact O-CG 3.29Å; Q362-L366 WeakPolarHBondContact O-CG 3.35Å; Q362-L366 PolarHBondContact O-N 2.83Å
363L42.8Very low41.2Very low97 Ų97105.8 Ų105.851%0.50858%0.579SS.*Hα-helixtrans-65-43.5175-81.9159.5000113S359 R360 A365 L366 V367S359-L363 PolarHBondContact O-N 3.43Å; R360-L363 CarbonylContact O-C 3.57Å; R360-L363 PolarHBondContact O-N 2.84Å; R360-L363 VanDerWaalsContact O-N 3.16Å; L363-A365 PolarHBondContact O-N 2.97Å; L363-L366 CarbonylContact O-C 3.53Å; L363-L366 PolarHBondContact O-N 2.69Å; L363-V367 HydrophobicContact CD2-CG2 4.43Å; L363-V367 WeakPolarHBondContact O-CB 3.5Å; L363-V367 VanDerWaalsContact O-CG2 3.3Å; L363-V367 WeakPolarHBondContact O-CG2 3.36Å; L363-V367 PolarHBondContact O-N 3.2Å
364D42.5Very low40.2Very low82 Ų82107.7 Ų107.744%0.43960%0.596SS.*Hα-helixtrans-74.5-6.2178.6-64.1-28.2000113.1R360 R368R360-D364 WeakPolarHBondContact O-CB 3.36Å; R360-D364 PolarHBondContact O-N 3.42Å; D364-R368 PolarHBondContact O-NE 3.48Å; D364-R368 PolarHBondContact O-NH2 2.56Å
365A43.7Very low39.3Very low68 Ų68107.5 Ų107.556%0.56261%0.614SS**Hα-helixtrans-89.6-36.6162.500000112K361 Q362 L363K361-A365 WeakPolarHBondContact O-CB 3.44Å; K361-A365 PolarHBondContact O-N 3.19Å; Q362-A365 PolarHBondContact O-N 2.93Å; L363-A365 PolarHBondContact O-N 2.97Å
366L40.7Very low38.9Very low144 Ų144111.4 Ų111.475%0.75462%0.624SS**Hα-helixtrans-78.9-28.1180-72.9164.8000114.6Q362 L363Q362-L366 WeakPolarHBondContact O-CD1 3.39Å; Q362-L366 VanDerWaalsContact O-CG 3.29Å; Q362-L366 WeakPolarHBondContact O-CG 3.35Å; Q362-L366 PolarHBondContact O-N 2.83Å; L363-L366 CarbonylContact O-C 3.53Å; L363-L366 PolarHBondContact O-N 2.69Å
367V44.6Very low38.1Very low88 Ų88112 Ų11253%0.53363%0.632SS.*SBendtrans-97.54.1-171.5177.70000112.6L363 G369L363-V367 HydrophobicContact CD2-CG2 4.43Å; L363-V367 WeakPolarHBondContact O-CB 3.5Å; L363-V367 VanDerWaalsContact O-CG2 3.3Å; L363-V367 WeakPolarHBondContact O-CG2 3.36Å; L363-V367 PolarHBondContact O-N 3.2Å; V367-G369 PolarHBondContact O-N 2.81Å
368R38.4Very low37.5Very low205 Ų205110.1 Ų110.177%0.77464%0.637SS**THydrogen-bonded Turntrans-75.434.4-173-148.6176-66.2-1571.4114.9D364D364-R368 PolarHBondContact O-NE 3.48Å; D364-R368 PolarHBondContact O-NH2 2.56Å
369G33.3Very low37.2Very low82 Ų82107.6 Ų107.685%0.84563%0.63SS**THydrogen-bonded Turntrans-145.831.5-176.100000114.1V367V367-G369 PolarHBondContact O-N 2.81Å
370G31.6Very low36.8Very low63 Ų63112.9 Ų112.965%0.64965%0.648SS**SBendtrans-171.6127175.400000112.1
371G27.1Very low36.6Very low84 Ų84109.3 Ų109.387%0.86664%0.64SS**  trans-92.1131.6-171.800000114.7
372S31.6Very low36.6Very low116 Ų116109.1 Ų109.181%0.81164%0.644SS**  trans-152.7137.814267.30000110.1S374S372-S374 PolarHBondContact O-N 2.96Å
373S27Very low37.2Very low129 Ų129107 Ų10790%0.90263%0.634SS**  trans-78.3115.6179.151.30000112
374S29.6Very low38.1Very low74 Ų74106.1 Ų106.152%0.51763%0.632SS.*  trans-129.7110.7164.4-1700000109.6S372 R376S372-S374 PolarHBondContact O-N 2.96Å; S374-R376 PolarHBondContact O-N 3.34Å; S374-R376 PolarHBondContact OG-NE 2.83Å
375S26.5Very low39.2Very low120 Ų120104.1 Ų104.184%0.83962%0.624SS**  trans-65.3108.9170.641.20000109.7
376R29.7Very low40.4Very low192 Ų192103.7 Ų103.773%0.72561%0.612SS**  trans-138.9138.1172.4-60.9-171.7-168.2-145.1-1.4109.2S374S374-R376 PolarHBondContact O-N 3.34Å; S374-R376 PolarHBondContact OG-NE 2.83Å
377H32.6Very low41.1Very low147 Ų147105.3 Ų105.368%0.68162%0.616SS**  trans-61.4156.8-165.5-64.4-127.6000112.5
378P34.1Very low41Very low91 Ų91106.1 Ų106.159%0.59162%0.617SS**SBendtrans-50.2148.2148.4-17.531.5000108.9E380P378-E380 PolarHBondContact O-N 2.7Å
379F36.6Very low41.1Very low86 Ų86102.7 Ų102.738%0.37761%0.61SS.*  trans-62.1115-177.3-77.1-88.8000110.9H353 R356 G381H353-F379 AromaticContact CE1-CD1 3.56Å; H353-F379 AromaticContact ND1-CD1 3.79Å; R356-F379 HydrophobicContact CB-CE1 4.49Å; R356-F379 HydrophobicContact CB-CZ 4.36Å; F379-G381 PolarHBondContact O-N 3.03Å
380E39.7Very low41.1Very low173 Ų173106.3 Ų106.381%0.80861%0.61SS**  trans-59.2120.7135.2-76.2165.2147.600106.2H353 P378H353-E380 PolarHBondContact CE1-O 2.97Å; P378-E380 PolarHBondContact O-N 2.7Å
381G44.2Very low40.9Very low18 Ų18114.2 Ų114.219%0.18662%0.62CS.*  trans-132.2141173.800000108H353 F379 F383H353-G381 WeakPolarHBondContact CE1-CA 3.49Å; F379-G381 PolarHBondContact O-N 3.03Å; G381-F383 VanDerWaalsContact O-CD2 3.32Å; G381-F383 WeakPolarHBondContact O-CD2 3.49Å; G381-F383 PolarHBondContact O-N 2.81Å
382D48.1Very low40.9Very low113 Ų113117.3 Ų117.360%0.60461%0.61SS**  trans-67.1100.3176.2-45.9-64.5000107.6T350 H353T350-D382 WeakPolarHBondContact CG2-O 3.48Å; T350-D382 PolarHBondContact OG1-O 2.89Å; H353-D382 IonicContact NE2-OD2 3.18Å; H353-D382 PolarHBondContact NE2-OD2 3.02Å
383F56Low40.7Very low76 Ų76114.9 Ų114.933%0.33360%0.603SS.*EExtended strand (participates in β ladder)trans-76152.4165.8-62.7-77.4000109.2L347 L349 G381L347-F383 HydrophobicContact CD1-CB 3.58Å; L347-F383 HydrophobicContact CD1-CD1 3.69Å; L347-F383 HydrophobicContact CD1-CE1 4.47Å; L347-F383 HydrophobicContact CD1-CG 3.72Å; L347-F383 HydrophobicContact CD2-CD1 3.75Å; L347-F383 HydrophobicContact CD2-CE1 3.8Å; L347-F383 HydrophobicContact CG-CB 4.38Å; L347-F383 HydrophobicContact CG-CD1 3.73Å; L347-F383 HydrophobicContact CG-CE1 4.31Å; L347-F383 HydrophobicContact CG-CG 4.28Å; L349-F383 HydrophobicContact CD2-CD1 3.89Å; L349-F383 HydrophobicContact CD2-CE1 3.52Å; L349-F383 HydrophobicContact CD2-CZ 4.5Å; L349-F383 HydrophobicContact CG-CD1 4.49Å; L349-F383 HydrophobicContact CG-CE1 4.3Å; G381-F383 VanDerWaalsContact O-CD2 3.32Å; G381-F383 WeakPolarHBondContact O-CD2 3.49Å; G381-F383 PolarHBondContact O-N 2.81Å
384V62.3Low40.6Very low77 Ų77113.3 Ų113.347%0.46760%0.598SS.*EExtended strand (participates in β ladder)trans-137.3122.6178.3178.60000108.4I348 T350 D386I348-V384 WeakPolarHBondContact CA-O 3.46Å; I348-V384 WeakPolarHBondContact CB-O 3.35Å; I348-V384 PolarHBondContact N-O 2.77Å; I348-V384 PolarHBondContact O-N 3.48Å; T350-V384 HydrophobicContact CG2-CG2 3.72Å; V384-D386 PolarHBondContact O-N 3.02Å
385C66.1Low40.4Very low40 Ų40114.9 Ų114.927%0.2760%0.601SS.*EExtended strand (participates in β ladder)trans-59.5130.2164.9-65.40000110V329 C330 N346 Q387V329-C385 PolarHBondContact O-SG 2.7Å; V329-C385 VanDerWaalsContact O-SG 3.37Å; C330-C385 HydrophobicContact CB-CB 4.04Å; C330-C385 WeakPolarHBondContact CB-SG 3.23Å; C330-C385 VanDerWaalsContact SG-CA 3.5Å; C330-C385 WeakPolarHBondContact SG-CB 3.12Å; C330-C385 CovalentContact SG-SG 2.03Å; C330-C385 PolarHBondContact SG-SG 3.12Å; N346-C385 CarbonylContact O-C 3.55Å; N346-C385 WeakPolarHBondContact O-CA 3.46Å; C385-Q387 PolarHBondContact O-N 2.92Å
386D68.1Low40.6Very low59 Ų59115 Ų11532%0.31660%0.598SS.*  trans-66129.2160.4-155.4-19.9000109.3N346 I348 V384 N388N346-D386 PolarHBondContact O-N 3.11Å; I348-D386 HydrophobicContact CD1-CB 3.67Å; I348-D386 HydrophobicContact CG1-CB 4.23Å; V384-D386 PolarHBondContact O-N 3.02Å; D386-N388 WeakPolarHBondContact OD1-CB 3.29Å; D386-N388 PolarHBondContact OD1-N 3.22Å; D386-N388 PolarHBondContact OD1-ND2 2.96Å
387Q55.6Low40.7Very low178 Ų178113.2 Ų113.283%0.83260%0.602SS**  trans-102.50.6176.7-63.1-174.1-7.600111.8C385 E389C385-Q387 PolarHBondContact O-N 2.92Å; Q387-E389 PolarHBondContact O-N 3.28Å
388N43.7Very low40.6Very low106 Ų106109.7 Ų109.757%0.56760%0.599SS**  trans-88.980.8-179.2-61.5-77.4000112.3D386 N390D386-N388 WeakPolarHBondContact OD1-CB 3.29Å; D386-N388 PolarHBondContact OD1-N 3.22Å; D386-N388 PolarHBondContact OD1-ND2 2.96Å; N388-N390 PolarHBondContact O-N 2.79Å
389E40.7Very low40.3Very low132 Ų132112.9 Ų112.962%0.61761%0.611SS**G310 helixtrans-59-10.4167.8-67.9-143.2133.400114Q387 W391 K392Q387-E389 PolarHBondContact O-N 3.28Å; E389-W391 PolarHBondContact O-N 3.14Å; E389-W391 VanDerWaalsContact O-N 3.14Å; E389-K392 WeakPolarHBondContact O-CG 3.44Å; E389-K392 PolarHBondContact O-N 3.48Å; E389-K392 IonicContact OE1-NZ 2.68Å; E389-K392 PolarHBondContact OE1-NZ 3.27Å; E389-K392 IonicContact OE2-NZ 2.67Å; E389-K392 PolarHBondContact OE2-NZ 3.47Å
390N31.9Very low39.9Very low159 Ų159113.8 Ų113.885%0.8563%0.628SS**G310 helixtrans-714.4-179.5-88.2-5.6000115.9N388N388-N390 PolarHBondContact O-N 2.79Å
391W28.1Very low39.5Very low228 Ų228113.3 Ų113.386%0.86463%0.63SS**G310 helixtrans-98.815.6167.5-84.790.8000113.9E389 G393E389-W391 PolarHBondContact O-N 3.14Å; E389-W391 VanDerWaalsContact O-N 3.14Å; W391-G393 PolarHBondContact O-N 3.38Å
392K27Very low39Very low150 Ų150120.9 Ų120.965%0.65266%0.661SS**  trans-66.296.7166.3-75171.3-176.61730111E389E389-K392 WeakPolarHBondContact O-CG 3.44Å; E389-K392 PolarHBondContact O-N 3.48Å; E389-K392 IonicContact OE1-NZ 2.68Å; E389-K392 PolarHBondContact OE1-NZ 3.27Å; E389-K392 IonicContact OE2-NZ 2.67Å; E389-K392 PolarHBondContact OE2-NZ 3.47Å
393G27.2Very low38Very low65 Ų65119.7 Ų119.767%0.6767%0.666SS**  trans97.698.2165.200000115.5W391 D395W391-G393 PolarHBondContact O-N 3.38Å; G393-D395 PolarHBondContact O-N 3.47Å; G393-D395 VanDerWaalsContact O-N 3.17Å
394A25.7Very low36.6Very low95 Ų95124.3 Ų124.379%0.78569%0.691SS**  trans-76.985147.700000107.5P396A394-P396 VanDerWaalsContact O-CD 3.31Å; A394-P396 WeakPolarHBondContact O-CD 3.29Å
395D25.6Very low35.1Very low108 Ų108126.3 Ų126.358%0.57870%0.703SS**  trans-55.4115.7-174.5-174.9-12.8000112G393 L397G393-D395 PolarHBondContact O-N 3.47Å; G393-D395 VanDerWaalsContact O-N 3.17Å; D395-L397 VanDerWaalsContact C-N 3.27Å; D395-L397 PolarHBondContact O-N 2.78Å; D395-L397 PolarHBondContact OD1-N 2.94Å
396P28.9Very low33.5Very low122 Ų122133.9 Ų133.979%0.79273%0.732SS**THydrogen-bonded Turntrans-65.9-22.6-178.3-22.734.8000114.6A394A394-P396 VanDerWaalsContact O-CD 3.31Å; A394-P396 WeakPolarHBondContact O-CD 3.29Å
397L32.4Very low31.7Very low155 Ų155135.6 Ų135.681%0.81275%0.754SS**THydrogen-bonded Turntrans-88.5-10.3-166.6-112.776.7000115.2D395 N399D395-L397 VanDerWaalsContact C-N 3.27Å; D395-L397 PolarHBondContact O-N 2.78Å; D395-L397 PolarHBondContact OD1-N 2.94Å; L397-N399 VanDerWaalsContact C-N 3.26Å; L397-N399 PolarHBondContact O-N 2.75Å; L397-N399 VanDerWaalsContact O-N 3.08Å
398A30.2Very low30.7Very low73 Ų73135.7 Ų135.760%0.60375%0.752SS**THydrogen-bonded Turntrans-75.44.1-166.700000116.4
399N28.1Very low30.3Very low157 Ų157137.9 Ų137.984%0.8476%0.758SS**THydrogen-bonded Turntrans-140.933.7-167.6-82-69.7000117L397L397-N399 VanDerWaalsContact C-N 3.26Å; L397-N399 PolarHBondContact O-N 2.75Å; L397-N399 VanDerWaalsContact O-N 3.08Å
400S29.3Very low30.1Very low106 Ų106138.3 Ų138.374%0.74176%0.76SS**SBendtrans-15872.7167.8-175.10000117.4
401L29.9Very low30.2Very low162 Ų162138.5 Ų138.585%0.84875%0.753SS**  trans-165.5170139.2-131.665000111.3
402E34.2Very low30.6Very low178 Ų178133 Ų13383%0.83274%0.741SS**  trans47.782.3174.9-58.3-162.9159.200114.9
403A26.5Very low31Very low87 Ų87130.6 Ų130.672%0.71975%0.749SS**  cis53.51094200000114.3
404M27.2Very low31.4Very low174 Ų174132 Ų13286%0.85775%0.754SS**  trans98.1121.5159.3-49.2-155.9-172.300120.9
405T30.3Very low32.3Very low118 Ų118133 Ų13372%0.72475%0.753SS**  trans84.6125143.845.20000124
406K33.8Very low32.9Very low200 Ų200134.3 Ų134.387%0.8776%0.76SS**  trans83.391.6144.6-68.7164.7-174.7171.50119.4
407A30.1Very low33.1Very low95 Ų95136.1 Ų136.179%0.78576%0.757SS**  trans-70.4162.8159.100000113.6
408K33.9Very low33.1Very low180 Ų180135.8 Ų135.878%0.78376%0.756SS**  177124.5118.7-99.2-168.7166.4-172.90114.4
409H34.9Very low33.2Very low152 Ų152138 Ų13870%0.70477%0.767SS**  trans55.1167.8146.3-66.4-75.2000120.5
410H37.2Very low33.3Very low141 Ų141137.5 Ų137.565%0.65377%0.769SS**  cis-134.6147.1-12.4-113.1-88.2000104.9
411K34.4Very low33.4Very low162 Ų162136.2 Ų136.270%0.70477%0.773SS**  59.3136.371.5-111.9-175.6163-97.20112.8
412D36.2Very low33.3Very low113 Ų113140.2 Ų140.260%0.60478%0.777SS**  cis-157.416730.2-85.9-72.2000114.6
413A35Very low33.1Very low100 Ų100140.3 Ų140.383%0.82678%0.775SS**  trans63.4155.6142.900000122.9
414A35.3Very low33.3Very low94 Ų94140 Ų14078%0.77777%0.767SS**  cis-169.8178.1-16.300000110.5
415P45.9Very low33.3Very low117 Ų117136.3 Ų136.376%0.7676%0.759SS**  trans-123.1-156.5-153.745.1-33.2000118.2
416N36.8Very low33.1Very low134 Ų134138.5 Ų138.572%0.71777%0.766SS**  trans102.1149.1177.9-67.124.1000115.1
417E34.5Very low32.7Very low160 Ų160134.2 Ų134.275%0.74876%0.757SS**  cis-155.3165.94.2-133.9165.3-109.900115.9
418L31.1Very low32.5Very low149 Ų149137.8 Ų137.878%0.7876%0.759SS**  trans9.5133.6160.7-112.267.1000124.5
419S33.4Very low32Very low119 Ų119136.7 Ų136.783%0.83276%0.755SS**  -177.8177.4105.750.70000111.9
420T29.5Very low31.4Very low146 Ų146135.4 Ų135.490%0.89676%0.758SS**  trans-130.5146.5-155.553.90000116.5
421G31.6Very low30.8Very low80 Ų80138.8 Ų138.883%0.82577%0.765SS**  trans-160.1133173.400000114.1
422R28.6Very low30.3Very low245 Ų245139 Ų13993%0.92577%0.769SS**  trans-82.4158.8169.2-71172.7171.1168.9-3.7108.9
423K28.3Very low29.9Very low180 Ų180139.8 Ų139.878%0.78377%0.771SS**  cis-166.2173.41.4-124.1-160.9156.9-156.80106.8
424S31Very low29.3Very low81 Ų81141.8 Ų141.857%0.56676%0.764SS**  cis-159.8122.1-2.218.10000112.8
425S28.2Very low29.1Very low97 Ų97144.1 Ų144.168%0.67876%0.763SS**  trans48.697.2131.166.60000120.5
426D25.7Very low28.1Very low164 Ų164146.8 Ų146.888%0.87777%0.765SS**  trans-59.8152.4146.6-55.8-79.4000112.1
427T26.2Very low27.9Very low109 Ų109146.8 Ų146.867%0.66977%0.77SS**  trans-121.884.8175.256.10000111.5F429T427-F429 PolarHBondContact O-N 2.97Å
428M24.3Very low27.6Very low170 Ų170148.7 Ų148.784%0.83778%0.775SS**  trans-86.5105.3169.8-168.717676.400109.4T430M428-T430 PolarHBondContact O-N 2.72Å
429F24.3Very low27.4Very low158 Ų158147.8 Ų147.869%0.69378%0.779SS**  trans-84.8102.8-177.9-81.6-88.6000112.1T427T427-F429 PolarHBondContact O-N 2.97Å
430T22.8Very low27.2Very low125 Ų125147 Ų14777%0.76778%0.779SS**  trans-78131.3159.840.70000110.3M428M428-T430 PolarHBondContact O-N 2.72Å
431W24.5Very low27.3Very low211 Ų211147.6 Ų147.680%0.79977%0.772SS**  trans-116.2111.8174.2-81.888.7000110.4
432E22.4Very low27.2Very low168 Ų168151.6 Ų151.679%0.78577%0.766SS**  trans-92.3112.4173.1-173.8179.4-178.200109.5Q434E432-Q434 PolarHBondContact O-N 3.43Å
433I28.8Very low27.1Very low128 Ų128148 Ų14866%0.65676%0.763SS**  trans-96.493.4-177.7-58-179.7000110.3N435I433-N435 PolarHBondContact O-N 3.44Å; I433-N435 VanDerWaalsContact O-N 3.17Å
434Q23.1Very low27.2Very low143 Ų143144.8 Ų144.867%0.66876%0.761SS**  trans-7398.1169.7-68.9-175.8-11.300111.2E432 H436E432-Q434 PolarHBondContact O-N 3.43Å; Q434-H436 PolarHBondContact O-N 3.24Å
435N30.8Very low27Very low142 Ų142145 Ų14576%0.75977%0.768SS**  trans-86.693.4172.2-84.9-44.5000111.7I433 V437I433-N435 PolarHBondContact O-N 3.44Å; I433-N435 VanDerWaalsContact O-N 3.17Å; N435-V437 PolarHBondContact O-N 2.75Å
436H25.2Very low27Very low173 Ų173147.7 Ų147.780%0.80178%0.78SS**  trans-72.7109.8170-86-71.7000112Q434Q434-H436 PolarHBondContact O-N 3.24Å
437V31.7Very low26.9Very low135 Ų135145 Ų14582%0.81877%0.77SS**  trans-129.8138.8161.6-175.10000108.9N435N435-V437 PolarHBondContact O-N 2.75Å
438K28.6Very low27Very low200 Ų200151 Ų15187%0.8778%0.782SS**  trans-86.7141.2-170.9-63.3179.2179.9178.90112.3
439P26Very low27Very low130 Ų130148.4 Ų148.484%0.84478%0.78SS**  trans-91.4142.4175.735-33.8000113.7
440A29.5Very low27Very low101 Ų101145.3 Ų145.384%0.83578%0.784SS**  trans-160.2141.6162.400000107.8
441E31.9Very low27.1Very low160 Ų160151.2 Ų151.275%0.74879%0.792SS**  cis-137.7-176.6-8-173.8152.1-163.700110.4
442K29.1Very low27Very low163 Ų163152.3 Ų152.371%0.70980%0.796SS**  trans-78.4154.4-162.6-46.9138.5-171.9139.70114.1
443I28.1Very low27.1Very low169 Ų169153 Ų15387%0.86780%0.799SS**  -177.4146.1127.1-96.5156.7000108.4
444P29.4Very low26.8Very low113 Ų113152.2 Ų152.273%0.73481%0.805SS**  -122.6155-113.241.6-36000119
445A26.1Very low26.8Very low86 Ų86151.2 Ų151.271%0.71181%0.809SS**  trans42109.9139.600000121.1
446V28.5Very low26.4Very low153 Ų153150.9 Ų150.993%0.92781%0.812SS**  -119.4135127.1-1800000107.4
447T24.4Very low26.4Very low109 Ų109147.8 Ų147.867%0.66981%0.805SS**  trans-97.5142.7-174.148.80000112.5
448Y27Very low26.1Very low235 Ų235146.1 Ų146.192%0.92280%0.797SS**  trans-152.8149.4130.6-107.7-69000114
449S25.9Very low26Very low115 Ų115145.1 Ų145.180%0.80480%0.8SS**  trans-27.9148.6-178.3-160.70000120
450A23.3Very low26.1Very low93 Ų93144 Ų14477%0.76980%0.796SS**  trans-92.7145.5-179.900000114.5
451R24.6Very low26.2Very low249 Ų249145.6 Ų145.694%0.9479%0.79SS**  trans-149.7166147.6-115.9177.2-174.7-171.51.5111.1
452R22.3Very low26.1Very low234 Ų234145.1 Ų145.188%0.88379%0.791SS**  trans-62.3137.6-178.5-57.4168.4175.3172.5-5.3111.1
453Q25.2Very low25.9Very low181 Ų181146.2 Ų146.285%0.84680%0.801SS**  trans-169.1156.8133-109.1149-16.800112.5
454S22Very low25.9Very low113 Ų113142.8 Ų142.879%0.7979%0.792SS**  trans-67.3128.8159.745.10000109.2
455V23.5Very low25.9Very low122 Ų122142.6 Ų142.674%0.73979%0.793SS**  trans-105.797.2-174.7179.50000110.4V457V455-V457 HydrophobicContact CG1-CG2 3.46Å; V455-V457 VanDerWaalsContact CG1-CG2 3.46Å
456T23.4Very low26Very low135 Ų135145.8 Ų145.883%0.82880%0.798SS**  trans-86139.4153.2-49.90000107.1
457V25Very low25.9Very low108 Ų108146.5 Ų146.566%0.65579%0.79SS**  trans-128.3122.4175.1-164.50000109V455V455-V457 HydrophobicContact CG1-CG2 3.46Å; V455-V457 VanDerWaalsContact CG1-CG2 3.46Å
458P25.3Very low26.2Very low100 Ų100147.2 Ų147.265%0.64980%0.795SS**  trans-73.4152.5169.732.8-34.1000110.3S460P458-S460 PolarHBondContact O-N 3.04Å
459L26.7Very low26.4Very low179 Ų179142.2 Ų142.294%0.93779%0.789SS**SBendtrans-10247.4-171-153.7102.7000113.5
460S27.9Very low26.5Very low107 Ų107140.9 Ų140.975%0.74878%0.779SS**  trans-91.6-8.4174.844.70000113.9P458P458-S460 PolarHBondContact O-N 3.04Å
461D30.1Very low26.7Very low134 Ų134143.4 Ų143.472%0.71778%0.78SS**  trans-93.7134.8-170.1-106.4-41.6000115
462I29.9Very low27Very low149 Ų149139.6 Ų139.676%0.76478%0.776SS**  trans74.589.9160.1-50.3157.4000117.1
463M25.9Very low27.4Very low187 Ų187136 Ų13692%0.92178%0.775SS**  trans-84.1133.5134.3-86-159.4179.100110
464S27.7Very low27.3Very low97 Ų97134.2 Ų134.268%0.67877%0.77SS**  166.6154.9125.753.80000113.1
465S29.2Very low27.5Very low108 Ų108134.8 Ų134.876%0.75577%0.77SS**  trans69.5148.7164.283.90000117.9
466L27.4Very low27.6Very low154 Ų154135.3 Ų135.381%0.80677%0.774SS**  cis-154.8167.3-22.3-117.4175000108.9
467H27.9Very low27.9Very low168 Ų168134.2 Ų134.278%0.77877%0.772SS**  trans-62.4145.6175.4-56.8-98.6000112.6
468T29.6Very low27.9Very low124 Ų124140.2 Ų140.276%0.76178%0.783SS**  179.1143.3110.526.40000113.7
469T31Very low27.9Very low130 Ų130140.1 Ų140.180%0.79879%0.785SS**  trans60.8155.8155.252.30000121
470S28.1Very low27.8Very low86 Ų86144 Ų14460%0.60179%0.787SS**  cis-169.1160.9-47.346.20000109.3
471N28.9Very low27.7Very low146 Ų146143.9 Ų143.978%0.78179%0.786SS**  trans70.6113.1169.2-47-42.2000118.1
472I30.3Very low27.5Very low169 Ų169144.7 Ų144.787%0.86780%0.796SS**  -163.5147120-98.2154.8000107.8
473N29.5Very low27.3Very low160 Ų160141 Ų14186%0.85680%0.795SS**  trans-85.7147-160.7-70.7-48.8000115.1
474I24.3Very low27.3Very low143 Ų143143.6 Ų143.673%0.73380%0.796SS**  trans-99.7131170.9-60.8169.3000109.3T476I474-T476 PolarHBondContact O-N 2.87Å
475P26.6Very low27.3Very low124 Ų124148.2 Ų148.281%0.80581%0.807SS**  trans-75.5110.2166.230.5-31.5000110
476T24.2Very low27.2Very low134 Ų134152.4 Ų152.482%0.82282%0.815SS**  trans-84.4132.9-179.648.40000112I474I474-T476 PolarHBondContact O-N 2.87Å
477S29.4Very low27.2Very low112 Ų112148.1 Ų148.178%0.78381%0.808SS**  trans-141102.3166.464.20000112.5
478R26.6Very low27.2Very low233 Ų233147.4 Ų147.488%0.87981%0.81SS**  trans41.998.4151.7-59.4-178.5-177.2-152.9-2.1117.3
479S25.1Very low27Very low99 Ų99147.2 Ų147.269%0.69281%0.808SS**  62.19976.878.80000114.6
480W25.1Very low26.8Very low261 Ų261151.7 Ų151.799%0.98981%0.81SS**  trans-122.6114.9138.4-85.188.5000107.4
481S25.8Very low26.7Very low104 Ų104155.5 Ų155.573%0.72782%0.819SS**  trans-82.1159.6-178.945.60000111.4G483S481-G483 PolarHBondContact O-N 3.4Å; S481-G483 VanDerWaalsContact O-N 3.13Å
482T25Very low26.6Very low151 Ų151156.2 Ų156.293%0.92682%0.817SS**  trans-52.9115.3166.148.20000110.8
483G26.3Very low26.4Very low71 Ų71159 Ų15973%0.73282%0.817SS**  trans-117.4122.1171.600000109.9S481S481-G483 PolarHBondContact O-N 3.4Å; S481-G483 VanDerWaalsContact O-N 3.13Å
484Y24.5Very low26.3Very low242 Ų242159.8 Ų159.895%0.94981%0.812SS**  trans-88109.6167.4-121.7-100000106.9
485E29.2Very low26.6Very low194 Ų194159.8 Ų159.891%0.90781%0.809SS**  trans-133.2143.7162.6-76-166139.700109
486E26.9Very low26.7Very low196 Ų196159.3 Ų159.392%0.91681%0.807SS**  trans-84.4151.4-169.5-60.5-178.7119.700112.2
487G26Very low26.9Very low64 Ų64160.3 Ų160.366%0.6681%0.805SS**  trans89.275.5163.100000116.4
488N28.9Very low27Very low153 Ų153164 Ų16482%0.81881%0.81SS**  trans-151.6100.8138.8-101.3-54.2000110.6W490N488-W490 PolarHBondContact O-N 2.94Å
489V25.2Very low27Very low119 Ų119164 Ų16472%0.72181%0.81SS**  trans-85.4104.5-174.9179.40000110.2Q491V489-Q491 HydrophobicContact CG1-CG 3.95Å; V489-Q491 PolarHBondContact O-N 2.93Å
490W26Very low27.4Very low225 Ų225167.4 Ų167.485%0.85282%0.818SS**  trans-86.490.9163.7-74.5101.8000110N488N488-W490 PolarHBondContact O-N 2.94Å
491Q27.3Very low27.5Very low166 Ų166162.6 Ų162.678%0.77681%0.812SS**  trans-58.8137.8179.7-97.1169.6-18.100112.4V489 R493V489-Q491 HydrophobicContact CG1-CG 3.95Å; V489-Q491 PolarHBondContact O-N 2.93Å; Q491-R493 PolarHBondContact O-N 2.04Å
492Q25.3Very low27.9Very low160 Ų160163.8 Ų163.875%0.74882%0.82SS**  trans-56.2126.7159.3-67.2178.6-29.400109.3K494Q492-K494 VanDerWaalsContact C-N 3.28Å; Q492-K494 PolarHBondContact O-N 3.4Å
493R26.6Very low28.1Very low229 Ų229161.4 Ų161.486%0.86481%0.81SS**  trans-70.787165-87.7-165.8173.4-150.62.5110.2Q491Q491-R493 PolarHBondContact O-N 2.04Å
494K28.3Very low28.4Very low175 Ų175166.8 Ų166.876%0.76182%0.818SS**  trans-76.3130.8139.4-71.4-177.7177.7179.20107Q492 P496Q492-K494 VanDerWaalsContact C-N 3.28Å; Q492-K494 PolarHBondContact O-N 3.4Å; K494-P496 WeakPolarHBondContact O-CD 3.33Å
495E29.9Very low28.6Very low143 Ų143163.9 Ų163.967%0.66881%0.813SS**  trans-83.8132.6168.4-59.4-162146.900110.2
496P30Very low28.9Very low115 Ų115159.8 Ų159.875%0.74780%0.803SS**  trans-123.9127.9142.234.1-25.8000110.4K494K494-P496 WeakPolarHBondContact O-CD 3.33Å
497I27.2Very low28.8Very low154 Ų154158.2 Ų158.279%0.7980%0.8SS**  trans-90.1105.3173-59.5172.6000108.5
498E32.2Very low29.1Very low189 Ų189162.3 Ų162.388%0.88381%0.813SS**  trans-125.1151.7163.1-70.1-155137.600111.5
499R26.9Very low29Very low235 Ų235159.9 Ų159.989%0.88781%0.807SS**  trans-108.7136.3-176.6-48.9174.1-174174.41.2110.2
500I33.6Very low29.3Very low169 Ų169161.2 Ų161.287%0.86782%0.816SS**  trans-135.8134150.4-61.2-175.5000108.6
501N26.8Very low29.3Very low161 Ų161157.8 Ų157.886%0.86181%0.813SS**  trans-87.6143.4169.2-83.2-17.4000109.9
502S34.2Very low29.6Very low128 Ų128155.3 Ų155.390%0.89582%0.815SS**  trans-151.1152.8146.4-163.50000111.2
503S28.7Very low30Very low101 Ų101156.6 Ų156.671%0.70682%0.82SS**  trans-109.7143-174.6175.90000110.4
504M32.3Very low30.3Very low184 Ų184149.1 Ų149.191%0.90681%0.814SS**  -179.6157118.1-96.8-179.7175.200113.7
505Q29.3Very low30.5Very low181 Ų181145.9 Ų145.985%0.84681%0.814SS**  trans-107-176.2171.5-85.4-169.3-23.100108.7
506P34.6Very low30.7Very low108 Ų108150.5 Ų150.570%0.70183%0.825SS**  cis-143.5175.213.844.2-24.8000119
507L26.2Very low30.9Very low163 Ų163149.3 Ų149.385%0.85382%0.82SS**  trans21.7123.5142.6-61.3166.6000121.6
508V32.8Very low31.3Very low151 Ų151146.8 Ų146.892%0.91582%0.815SS**  trans-139.6150.6134.1-178.60000108.7
509S25.3Very low31.4Very low101 Ų101144 Ų14471%0.70681%0.811SS**  trans-124.8150.7-177.257.50000113.3
510T32Very low31.8Very low147 Ų147138.2 Ų138.290%0.90281%0.807SS**  trans-149.8144.6164.529.70000111.1
511L25.8Very low31.9Very low153 Ų153134 Ų13480%0.80181%0.805SS**  trans-114.8144.9-179.5-67.9109.4000112.7
512S33.7Very low32.1Very low114 Ų114135.6 Ų135.680%0.79781%0.807SS**  trans-160.8112.714548.50000107.7
513H34.1Very low31.8Very low187 Ų187135.8 Ų135.887%0.86681%0.808SS**  73.6112.567.3-84-50000115.5
514G32.2Very low31.8Very low72 Ų72136 Ų13674%0.74281%0.809SS**  trans113.4140.4157.200000116.2
515S33.6Very low31.9Very low107 Ų107135.5 Ų135.575%0.74881%0.808SS**  cis-175.8144-48.139.80000111.2
516R33.8Very low31.8Very low241 Ų241132.3 Ų132.391%0.90980%0.801SS**  trans66.8154.1159.9-74.3-179.1172.1170.8-4.1117.6
517S34.7Very low31.8Very low90 Ų90136.6 Ų136.663%0.62981%0.812SS**  cis-167.1170.4-13.948.40000111.9
518S34.4Very low31.9Very low100 Ų100134.9 Ų134.970%0.69981%0.809SS**  trans65.7145.3146.647.10000118.5
519T35.2Very low31.9Very low130 Ų130133.4 Ų133.480%0.79881%0.805SS**  cis-169.3165.8-4.518.40000106.6
520S35.2Very low32.2Very low115 Ų115136.4 Ų136.480%0.80481%0.813SS**  cis-170.1156.4-5.741.40000108.3
521G34.3Very low32.3Very low80 Ų80132.7 Ų132.783%0.82580%0.804SS**  trans170.5106.2169.900000113.6
522E31.6Very low32.6Very low194 Ų194135 Ų13591%0.90781%0.811SS**  trans-103.8151.4-175.7-61.9165.7105.800112.2
523C28.1Very low32.6Very low133 Ų133132.9 Ų132.990%0.89981%0.807SS**  -161.6149.4127.8-140.30000110.2
524S28.6Very low32.4Very low105 Ų105134.3 Ų134.373%0.73481%0.811SS**  trans-144.3142.9-171.6-60.40000112.3
525I34.1Very low32.4Very low173 Ų173134.5 Ų134.589%0.88781%0.813SS**  trans-135133.8160.3-61.6-176.3000108.5
526T28.4Very low32.3Very low115 Ų115135.2 Ų135.271%0.70682%0.818SS**  trans-111.5155.2-176.145.90000112.2
527Q33.6Very low32.2Very low198 Ų198127.9 Ų127.993%0.92581%0.809SS**  trans-154.4154144.5-115.8169.157.300111.4
528T27.9Very low32.2Very low127 Ų127130.3 Ų130.378%0.77982%0.815SS**  trans-147.5145.3-162.650.50000112.4
529S34.4Very low32.2Very low120 Ų120133.6 Ų133.684%0.83982%0.818SS**  trans-153.3161.1162.556.10000111.5
530N31.4Very low32.2Very low163 Ų163136.8 Ų136.887%0.87282%0.824SS**  trans-125.2166.9-156-62.7-34.2000115.1
531G33.8Very low31.8Very low70 Ų70136 Ų13672%0.72283%0.825SS**  trans142.3109.9162.500000111.5
532Q32.2Very low31.8Very low200 Ų200139.2 Ų139.294%0.93583%0.828SS**  cis82.9130.839-71.5-165.3-4600116.6
533G34Very low31.8Very low70 Ų70136 Ų13672%0.72282%0.822SS**  trans115.795.4-178.900000112
534F28.6Very low32Very low218 Ų218137.3 Ų137.396%0.95682%0.82SS**  66.7119.754.5-86.5-78.4000116
535G33.5Very low32Very low75 Ų75138.9 Ų138.977%0.77382%0.819SS**  trans167.1145.2172.900000113.1
536S30.2Very low32.1Very low123 Ų123140.4 Ų140.486%0.8682%0.819SS**  trans-166.9166.3-170.556.60000112
537A32.9Very low32.4Very low86 Ų86142.7 Ų142.771%0.71182%0.822SS**  cis-119-103.41.900000113.6
538D34.1Very low32.1Very low141 Ų141140 Ų14075%0.75481%0.813SS**  cis-156.6-174.30.6-139.6-53.1000112
539H34Very low32.2Very low169 Ų169139.1 Ų139.178%0.78281%0.809SS**  trans-79.3148.4-172.8-76.2-111.1000115.9
540E34.5Very low31.8Very low197 Ų197139.4 Ų139.492%0.92181%0.806SS**  -174.9168.4103.2-99.1-164.6141.300112.5
541A28.5Very low31.7Very low98 Ų98138.3 Ų138.381%0.8180%0.799SS**  trans-145.9139.9-175.600000112.7
542V33.4Very low31.2Very low148 Ų148140.3 Ų140.390%0.89780%0.802SS**  trans-137.2132.7167-179.30000109.3
543T31.2Very low31.2Very low128 Ų128138.7 Ų138.779%0.78580%0.798SS**  trans-95.8146.3173.9510000111.1
544D32.2Very low30.8Very low160 Ų160140.3 Ų140.386%0.85680%0.799SS**  trans-149.6154.1144.5-147.3-13.9000111.3
545I29.3Very low30.8Very low137 Ų137138.1 Ų138.170%0.70379%0.792SS**  trans-125.7137-170.5-61.1174.1000110.1
546K37.2Very low30.5Very low206 Ų206145.2 Ų145.290%0.89680%0.795SS**  trans-153.2143.7156.3-112.6150.2-169.1162.90112
547E33.2Very low30.2Very low163 Ų163148.6 Ų148.676%0.76280%0.798SS**  trans-104.3150.9-166-60.1-177.711200113.4
548L28.4Very low30.1Very low141 Ų141154.5 Ų154.574%0.73881%0.807SS**  trans65166.8147.2-71.5165.5000117.8
549P30.2Very low29.6Very low108 Ų108152.9 Ų152.970%0.70181%0.807SS**  cis-116169141.1-30000115.7
550T24.8Very low29.3Very low127 Ų127151.7 Ų151.778%0.77981%0.811SS**  trans-62.6132.7170.6-39.80000111.9
551I30.4Very low29Very low140 Ų140148.4 Ų148.472%0.71881%0.805SS**  trans-130114.8164.4-61.1-179.4000109.2
552S23.1Very low28.8Very low111 Ų111149.5 Ų149.578%0.77681%0.807SS**  trans-85.3131.6165.753.80000110
553L31.8Very low28.6Very low166 Ų166147.4 Ų147.487%0.86980%0.804SS**  trans-121.3131.8163.5-88.1167.4000109.9
554S24.9Very low28.3Very low105 Ų105150 Ų15073%0.73481%0.808SS**  trans-106.1-166.4-172.653.30000111
555E28.4Very low28Very low172 Ų172149.7 Ų149.780%0.80481%0.811SS**  trans74.8137.5176.9-43.8-166.8129.900115.2
556R27.7Very low27.9Very low223 Ų223146.6 Ų146.684%0.84281%0.813SS**  cis-127.8129.48.1-69174.7170.6175.5-3.3112
557Q24.5Very low27.3Very low195 Ų195146.4 Ų146.491%0.91181%0.812SS**  trans-103.9148.4141-78.8-177.2-36.500108.2
558K29.5Very low27.2Very low209 Ų209146.1 Ų146.191%0.90982%0.816SS**  trans-117.1109.6160.3-86.9-165.3170.7-1690108.1
559S24Very low27.1Very low107 Ų107148.1 Ų148.175%0.74882%0.821SS**  trans-80.1155.1166.346.50000110.6
560V27.9Very low27Very low145 Ų145152 Ų15288%0.87983%0.827SS**  trans-123.7145.5153.3177.90000106
561T29.2Very low27.2Very low128 Ų128152.6 Ų152.679%0.78583%0.825SS**  trans-90.1156.7-154.945.90000115
562S23.3Very low27Very low121 Ų121152 Ų15285%0.84683%0.83SS**  trans-64.6155.1174.7-46.20000113.7
563A29.7Very low27.1Very low103 Ų103152.3 Ų152.385%0.85182%0.817SS**  trans-135.2156.9151.800000108
564E25.5Very low27Very low183 Ų183152.7 Ų152.786%0.85581%0.807SS**  trans-102.2180-163.4-65.2176.491.400114.6
565V26.1Very low27.1Very low154 Ų154154.9 Ų154.993%0.93381%0.809SS**  trans79.3120.3163.7-167.10000116.5
566G26.7Very low27Very low72 Ų72151.9 Ų151.974%0.74280%0.798SS**  trans153.2104.4170.200000111.9
567K25.1Very low26.9Very low202 Ų202150.7 Ų150.788%0.87880%0.799SS**  trans-80.2131.8165.4-66.7175.4-179.5175.40108.2
568D30Very low26.9Very low156 Ų156147.4 Ų147.483%0.83479%0.792SS**  -174.3143128-98.3-14.2000111.9
569H26.7Very low26.8Very low183 Ų183143.1 Ų143.185%0.84779%0.788SS**  trans-93.3113.4173.8-81.2-88.6000110.3
570K28.6Very low26.9Very low190 Ų190146.6 Ų146.683%0.82679%0.793SS**  trans-136.2137.6162.2-96.4168.5179.2164.90110.1
571L27.6Very low26.8Very low139 Ų139144 Ų14473%0.72879%0.786SS**  trans-65.3150.8172.8-79.576.7000109.9K573L571-K573 PolarHBondContact O-N 3.4Å
572P25.9Very low26.6Very low127 Ų127143 Ų14383%0.82579%0.785SS**  trans-70.1100178.129.3-34000110.4
573K26.8Very low26.7Very low118 Ų118143.5 Ų143.551%0.51378%0.783SS.*  trans-56.3147.3170.7-69.6-170.7173.6-170.60110.7I309 L571 I575I309-K573 VanDerWaalsContact CG1-NZ 3.27Å; I309-K573 VanDerWaalsContact CG2-NZ 3.27Å; L571-K573 PolarHBondContact O-N 3.4Å; K573-I575 VanDerWaalsContact C-N 3.26Å; K573-I575 PolarHBondContact O-N 2.92Å
574R28.4Very low26.6Very low174 Ų174146.1 Ų146.166%0.65778%0.781SS**  trans-67.670.2-174.1-168.2179.3-175.7173.71.8112.9L576R574-L576 PolarHBondContact O-N 3.44Å
575I26.9Very low26.6Very low152 Ų152143 Ų14378%0.77978%0.78SS**  trans-70.499.8172.7-60.6177.4000108.8K573 K577K573-I575 VanDerWaalsContact C-N 3.26Å; K573-I575 PolarHBondContact O-N 2.92Å; I575-K577 PolarHBondContact O-N 2.83Å; I575-K577 VanDerWaalsContact O-N 3.15Å
576L27.5Very low26.8Very low108 Ų108139.2 Ų139.257%0.56577%0.771SS**  trans-60.2110.6169.3-82.6156.8000109.8K320 R574 T578K320-L576 HydrophobicContact CD-CD1 4.22Å; R574-L576 PolarHBondContact O-N 3.44Å; L576-T578 PolarHBondContact O-N 3.23Å
577K25.3Very low27Very low199 Ų199145.2 Ų145.287%0.86578%0.78SS**  trans-68.5113.5168.6-74.1-175.6177.11790109.3I575 S579I575-K577 PolarHBondContact O-N 2.83Å; I575-K577 VanDerWaalsContact O-N 3.15Å; K577-S579 PolarHBondContact O-N 3.33Å
578T25.2Very low27.1Very low125 Ų125142 Ų14277%0.76778%0.778SS**  trans-69.3121.3165.638.10000109.6L576 Q580L576-T578 PolarHBondContact O-N 3.23Å; T578-Q580 PolarHBondContact O-N 2.75Å; T578-Q580 VanDerWaalsContact O-N 3.12Å
579S26.3Very low27.3Very low119 Ų119139.6 Ų139.683%0.83278%0.779SS**  trans-74.896.1168.754.10000109.2K577 A581K577-S579 PolarHBondContact O-N 3.33Å; S579-A581 PolarHBondContact O-N 2.89Å; S579-A581 VanDerWaalsContact O-N 3.11Å
580Q25.2Very low27.3Very low181 Ų181138.3 Ų138.385%0.84677%0.774SS**  trans-65.3109.7171.6-72.9-174.8-18.400109.7T578 S582T578-Q580 PolarHBondContact O-N 2.75Å; T578-Q580 VanDerWaalsContact O-N 3.12Å; Q580-S582 PolarHBondContact O-N 3Å
581A25.7Very low27.4Very low89 Ų89137.6 Ų137.674%0.73678%0.778SS**  trans-76.8100.4171.300000109.4S579 T583S579-A581 PolarHBondContact O-N 2.89Å; S579-A581 VanDerWaalsContact O-N 3.11Å; A581-T583 VanDerWaalsContact C-N 3.35Å; A581-T583 PolarHBondContact O-N 3.46Å
582S25.2Very low27.4Very low109 Ų109140.4 Ų140.476%0.76278%0.779SS**  trans-78.87917860.40000111.4Q580 I584Q580-S582 PolarHBondContact O-N 3Å; S582-I584 PolarHBondContact O-N 3.06Å
583T25.4Very low27.7Very low131 Ų131142.1 Ų142.180%0.80478%0.776SS**  trans-76.1109.5171.6-550000109.7A581A581-T583 VanDerWaalsContact C-N 3.35Å; A581-T583 PolarHBondContact O-N 3.46Å
584I28.8Very low27.9Very low157 Ų157143.8 Ų143.881%0.80579%0.786SS**  trans-77.5130.9172.2-63.5176.2000108.8S582S582-I584 PolarHBondContact O-N 3.06Å
585S25.4Very low27.8Very low118 Ų118141.8 Ų141.883%0.82579%0.793SS**  trans-70.5136.6177.3510000112.5
586G30.4Very low28.1Very low74 Ų74140.5 Ų140.576%0.76380%0.798SS**  trans-146.5145.517000000109.9
587E31Very low28.1Very low198 Ų198140.8 Ų140.893%0.92581%0.809SS**  trans-80.4161.3-158.9-84.6164.782.700117.3
588T27.5Very low28.7Very low136 Ų136137 Ų13783%0.83480%0.804SS**  trans-60.1147.6177.548.10000115.9
589A32.4Very low29.1Very low104 Ų104137 Ų13786%0.8681%0.809SS**  trans-154.3133.1137.300000110.8
590E27.2Very low29.2Very low156 Ų156138.2 Ų138.273%0.72981%0.812SS**  trans-83.6149.8170.8-73.9-178.977.800111.8
591L31Very low29.6Very low176 Ų176133.4 Ų133.492%0.92181%0.811SS**  -152.4151.2122.2-141.669.1000112.6
592R26.9Very low30Very low197 Ų197138.5 Ų138.574%0.74382%0.819SS**  trans-92.5155.1-175.8-55.9165.4178.6177.3-5.2111.3
593Q33.6Very low30.5Very low163 Ų163138.7 Ų138.776%0.76282%0.818SS**  179138.5105.1-96.4170.63.100115
594Q31.5Very low30.9Very low153 Ų153140.8 Ų140.872%0.71582%0.824SS**  trans46.4109.2141-65.2164.1-15.100119.5
595T25.7Very low30.9Very low132 Ų132140.7 Ų140.781%0.8183%0.825SS**  69.2103.664.368.90000116.7
596S31.9Very low31.3Very low126 Ų126141 Ų14188%0.88183%0.827SS**  trans-164.1158.1142.654.60000111.5
597S28.7Very low31.4Very low114 Ų114142.8 Ų142.880%0.79783%0.834SS**  trans-166.4-174.7-175.457.80000108.8
598P38.1Very low31.4Very low119 Ų119136.7 Ų136.777%0.77383%0.825SS**  -120.6175.6-58.437.4-25.3000111.3
599S33Very low31.6Very low125 Ų125138.7 Ų138.787%0.87483%0.829SS**  trans-156.4152.6160.250.20000115.5
600T29.4Very low31.3Very low145 Ų145142.8 Ų142.889%0.8983%0.828SS**  trans-73.4156.7-173.346.30000116.1
601G32.8Very low31.7Very low80 Ų80141.6 Ų141.683%0.82583%0.834SS**  trans-152.9138.715900000110.9
602E33.8Very low31.5Very low195 Ų195142.2 Ų142.291%0.91183%0.832SS**  trans-104.1169.4-168.7-100.3-163.8129.600114.6
603P35.9Very low31.8Very low114 Ų114137.4 Ų137.474%0.7483%0.834SS**  trans-94.7174.5-162.838.6-38.4000115.3
604L34.3Very low31.7Very low175 Ų175134.2 Ų134.292%0.91684%0.835SS**  trans-148.9151.7165.7-106.5169.9000112.1
605D27.9Very low31.6Very low155 Ų155136.8 Ų136.883%0.82985%0.845SS**  trans-76158.1-170.4-72.8-70.9000116.4
606S34.8Very low32Very low125 Ų125136.4 Ų136.487%0.87484%0.844SS**  trans-153.5136.3138.846.90000111.4
607A32.4Very low31.6Very low110 Ų110136.3 Ų136.391%0.90984%0.842SS**  trans-106.3152.9-172.500000112.9
608G30.4Very low31.8Very low70 Ų70138.7 Ų138.772%0.72285%0.845SS**  trans-170.9103.8177.300000117
609L31.9Very low31.5Very low179 Ų179140.1 Ų140.194%0.93785%0.846SS**  trans65.1110.6145.4-59.7165.6000120.6
610K26.9Very low31.2Very low190 Ų190141.5 Ų141.583%0.82684%0.843SS**  trans-93.9167.8146.4-89.7-176.5173.9-179.60110.1
611P34.4Very low31.3Very low131 Ų131143 Ų14385%0.85185%0.845SS**  -133.6171121.438.2-30.5000114.2
612E26.4Very low31.1Very low188 Ų188142.6 Ų142.688%0.87984%0.841SS**  trans-105.7156.2-177.9-63.2169.990.600113.3
613A34Very low31Very low96 Ų96143.8 Ų143.879%0.79384%0.843SS**  trans-155.4105.6150.400000107.6
614A32.3Very low30.4Very low96 Ų96143.7 Ų143.779%0.79385%0.845SS**  86102.667.600000113.4
615F27.7Very low30.3Very low208 Ų208141.1 Ų141.191%0.91284%0.842SS**  trans-103.8139.2168.1-79.9-90.7000110.4
616P35.6Very low30.2Very low123 Ų123143 Ų14380%0.79984%0.842SS**  trans-103143.1166.835.6-29.4000112.9
617C22.8Very low30Very low124 Ų124148.9 Ų148.984%0.83885%0.845SS**  trans-112.3135168.5-67.40000110.2
618I33.4Very low29.9Very low165 Ų165153.3 Ų153.385%0.84684%0.844SS**  trans-177.3138.4173.5-100.4147.8000105.5
619D30.7Very low29.8Very low149 Ų149156.2 Ų156.280%0.79785%0.851SS**  cis-148171.3-3-143.9-31.9000111
620L27.6Very low29.7Very low154 Ų154152.5 Ų152.581%0.80685%0.846SS**  trans-118.2108.2176.3-79.3172.3000112.6
621N30.6Very low29.7Very low177 Ų177153.7 Ų153.795%0.94785%0.851SS**  trans-175.4142.3149.4-103.9-58000111.7
622G30Very low29.5Very low71 Ų71156.7 Ų156.773%0.73285%0.853SS**  trans-163-8.3-171.700000121.4
623K30.3Very low29.4Very low219 Ų219155.6 Ų155.695%0.95285%0.846SS**  trans63.7140.7178.4-60.1174.6179.71720116.8
624S25Very low29Very low112 Ų112157.3 Ų157.378%0.78385%0.846SS**  trans-101.1159.8172.761.80000111.7
625S30.6Very low28.9Very low122 Ų122159.9 Ų159.985%0.85384%0.842SS**  trans-140.5133163-171.10000110.1
626K27Very low28.7Very low193 Ų193159.9 Ų159.984%0.83984%0.842SS**  trans-104.9132.3-175.4-64177.5-179.8176.90110.5
627R31Very low28.5Very low249 Ų249159.3 Ų159.394%0.9484%0.841SS**  trans-129.5156.5155.5-80-167.5168.8-173.9-3110.9
628K30.4Very low28.6Very low203 Ų203160.6 Ų160.688%0.88384%0.839SS**  trans-86.9154.4-161-68.1176.3173.9177.30112.6
629P26.7Very low28.3Very low132 Ų132160.3 Ų160.386%0.85784%0.838SS**  trans-76.2150.117632.5-35.9000112.3
630A31.3Very low28Very low101 Ų101159.4 Ų159.484%0.83584%0.837SS**  trans-107.4142.6163.300000109.3
631K26.2Very low27.9Very low214 Ų214157.2 Ų157.293%0.9383%0.831SS**  trans-90.7136.8173.7-64.2-179.9179.7-179.10109.4
632Q29.2Very low27.6Very low194 Ų194154.2 Ų154.291%0.90782%0.819SS**  trans-142.4145.1155.3-153.21590.900109.9
633K24.6Very low27.3Very low165 Ų165162 Ų16272%0.71783%0.826SS**  trans-113.1124.9-173.4-178.6-155.2179-137.80108E635K633-E635 IonicContact NZ-OE1 2.8Å; K633-E635 PolarHBondContact NZ-OE1 3.12Å
634V27.3Very low27.2Very low132 Ų132159 Ų15980%0.882%0.819SS**  trans-136.1147.2167.8-1750000107.2
635E28.9Very low27.3Very low150 Ų150164.9 Ų164.970%0.70182%0.824SS**  trans-91.3161-170.7-76.5156.6160.300112.8K633K633-E635 IonicContact NZ-OE1 2.8Å; K633-E635 PolarHBondContact NZ-OE1 3.12Å
636F24.7Very low27.1Very low208 Ų208165 Ų16591%0.91282%0.821SS**  trans-94.6147.9175.6-77.8-98.9000110.7
637S30.4Very low27.1Very low112 Ų112161.3 Ų161.378%0.78382%0.82SS**  trans-137.9135.7156.258.10000107.9
638D25Very low26.9Very low151 Ų151156.5 Ų156.581%0.80781%0.813SS**  trans-70.4158-166.2-54.1-88.8000114.8
639I27.4Very low27Very low158 Ų158155 Ų15581%0.8182%0.815SS**  trans-160.6132.6130.7-99.2149.3000108.4
640V23.7Very low27.1Very low130 Ų130153 Ų15379%0.78880%0.803SS**  trans-120.7132.4168.2175.10000107.2
641T25.3Very low27.1Very low109 Ų109154.9 Ų154.967%0.66980%0.8SS**  trans-146.2126.9168.9-52.10000109.6
642V24.2Very low27.6Very low114 Ų114153 Ų15369%0.69180%0.8SS**  trans-125.1134.2169177.50000106.1I644V642-I644 HydrophobicContact CG1-CG1 4.49Å
643R23.7Very low27.9Very low233 Ų233152.6 Ų152.688%0.87980%0.798SS**  trans-117.7133170.4-82.9-179.9167.6157.8-4.9109.1
644I27.9Very low28.4Very low158 Ų158151.5 Ų151.581%0.8180%0.8SS**  trans-126.2145.2162.8-59.1178.4000104.7V642V642-I644 HydrophobicContact CG1-CG1 4.49Å
645R27.2Very low28.8Very low234 Ų234151.4 Ų151.488%0.88381%0.805SS**PPolyproline II helixtrans-91.9154.5178.5-83.2-172.4178.7178.7-0.7111
646P26.4Very low29Very low124 Ų124148.8 Ų148.881%0.80581%0.809SS**PPolyproline II helixtrans-75.3162.4-176.332.7-36.9000112.6
647S27.2Very low29.6Very low116 Ų116142.9 Ų142.981%0.81180%0.799SS**PPolyproline II helixtrans-102.9146.3151.6-177.30000107.8
648D27.4Very low29.9Very low149 Ų149145.6 Ų145.680%0.79781%0.805SS**PPolyproline II helixtrans-67.7155.3166.4-56.7-67.5000110.7
649N31.5Very low30.1Very low172 Ų172141.8 Ų141.892%0.9280%0.801SS**  trans-151.2156.8154.7-121.11.4000108.4
650S29.8Very low30.3Very low88 Ų88142.2 Ų142.262%0.61580%0.804SS**  trans-104.1173.2-166.354.50000114.2
651D31.2Very low30.8Very low142 Ų142141.1 Ų141.176%0.75980%0.802SS**  trans74.2121.9155.3-45.2-47.1000119.2
652D36.8Very low31Very low173 Ų173143.7 Ų143.793%0.92581%0.811SS**  trans-149.4147.3148.6-107.6-38.1000107.1
653E35.9Very low31.6Very low186 Ų186143.4 Ų143.487%0.86981%0.811SS**  trans-100.1-170.2-160.5-74.9-154.9104.700115.9
654D33.9Very low32.1Very low143 Ų143141.4 Ų141.477%0.76581%0.812SS**  trans88.697152-96.3-27.2000121.1
655S36.7Very low32.2Very low129 Ų129137.6 Ų137.690%0.90280%0.804SS**  -154.3120.3129.5-73.40000109.9
656A32.6Very low32.6Very low95 Ų95134 Ų13479%0.78580%0.802SS**  trans-92175.3-171.700000115.1
657A36.6Very low32.7Very low85 Ų85135.6 Ų135.670%0.70280%0.803SS**  trans89.399.5162.700000120.1
658N36.8Very low32.9Very low169 Ų169135.4 Ų135.490%0.90480%0.802SS**  trans64.6119.7130.9-55.8-24.7000121.3
659G30.5Very low32.8Very low70 Ų70138.1 Ų138.172%0.72280%0.803SS**  130.386.3123.100000120.3
660L31Very low33Very low167 Ų167137.4 Ų137.487%0.87480%0.799SS**  trans65.9133.4139.1-66.4161.7000122.3
661S33.1Very low32.9Very low108 Ų108140.2 Ų140.276%0.75581%0.807SS**  trans64.298.414848.10000121.8
662L31.5Very low33Very low163 Ų163137.9 Ų137.985%0.85381%0.807SS**  2.3159.7115-64.2169.9000119
663P35.9Very low32.5Very low107 Ų107136.3 Ų136.370%0.69580%0.803SS**  cis-139.6-169.7-27.635.8-15000113.3
664E33.6Very low32.3Very low191 Ų191135.9 Ų135.989%0.89380%0.803SS**  trans142.5157.6136-72.1-145138.200115.4
665A31.2Very low31.9Very low78 Ų78138 Ų13865%0.64581%0.806SS**  trans-75.5161.6-163.300000115.5
666N34Very low31.7Very low158 Ų158138 Ų13885%0.84580%0.803SS**  -159.2160.6107.6-109.1-66.9000114
667L29.6Very low31.4Very low158 Ų158139.6 Ų139.683%0.82780%0.803SS**  trans-87.5150180-60.881.4000111.2
668S31Very low30.9Very low113 Ų113142.1 Ų142.179%0.7981%0.809SS**  trans-160.2129.5130.7-162.60000112.1
669Y26Very low30.6Very low206 Ų206143.8 Ų143.881%0.80883%0.825SS**  trans-79.9140.8165.6-117.9-108.7000109
670N34.2Very low30.6Very low157 Ų157147.5 Ų147.584%0.8483%0.83SS**  trans-158.9140.3143.7-108.9-42.7000112.6
671N29.1Very low30.5Very low147 Ų147146.5 Ų146.579%0.78683%0.828SS**  trans-80.6126.9-177.2-68.6-50.8000111.2
672A32.1Very low30.4Very low92 Ų92148.6 Ų148.676%0.7683%0.832SS**  trans-130.1112.8164.200000109.3M674A672-M674 PolarHBondContact O-N 3.45Å
673V26.8Very low30.3Very low140 Ų140147.8 Ų147.885%0.84883%0.831SS**  trans-76.1111.3-179177.20000109.6
674M31.3Very low30Very low177 Ų177150.3 Ų150.387%0.87284%0.839SS**  trans-119.4126164.5-76.5-164.6167.100110.7A672A672-M674 PolarHBondContact O-N 3.45Å
675K26.5Very low29.8Very low189 Ų189147.6 Ų147.682%0.82284%0.836SS**  trans-81.1128.7171.8-62175-179.9177.40108.5T677K675-T677 PolarHBondContact O-N 2.93Å
676P31.2Very low29.6Very low129 Ų129152.6 Ų152.684%0.83885%0.85SS**  trans-67114.7162.9-17.331.7000109
677T27.2Very low29.3Very low128 Ų128152.2 Ų152.279%0.78585%0.85SS**  trans-71.1135.9163.3-58.80000107.9K675K675-T677 PolarHBondContact O-N 2.93Å
678V26Very low29.3Very low138 Ų138151.7 Ų151.784%0.83685%0.852SS**  trans-65.5134.7176.5-178.70000110.2
679V30Very low29.1Very low204 Ų204155.2 Ų155.2100%1.23686%0.857SS**  trans-119.70166.8-179.20000107.4

Retrieved 679 of 679 residues in 1388.3 ms (Link to these results)

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