A0A077ZHN4_TRITR Loading...

RlmG N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZHN4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 229 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
1M30.7Very low57.8Low235 Ų235109 Ų109100%1.15859%0.593SS**  0114.20-74.8172.3-171.500106.5H3M1-H3 PolarHBondContact O-N 3.46Å
2S28.9Very low60.9Low105 Ų105107.1 Ų107.173%0.73459%0.587SS**  trans-62.2116.7173.4510000107.6L4S2-L4 PolarHBondContact O-N 3.19Å
3H30.6Very low63.7Low188 Ų188100.8 Ų100.887%0.8755%0.552SS**  trans-63.193.2161.3-80.8-77.8000105.8M1 D5M1-H3 PolarHBondContact O-N 3.46Å; H3-D5 VanDerWaalsContact C-N 3.3Å; H3-D5 PolarHBondContact O-N 2.9Å
4L33Very low65.9Low131 Ų13199.4 Ų99.469%0.68654%0.54SS*.  trans-56.9108.8154.9-87.4140.6000104.1S2 N6S2-L4 PolarHBondContact O-N 3.19Å; L4-N6 WeakPolarHBondContact CB-OD1 3.28Å; L4-N6 PolarHBondContact O-N 3.35Å
5D43.3Very low67.9Low160 Ų16096.5 Ų96.586%0.85652%0.518SS*.  trans-63.487170.6-149.17000104.7H3 G7H3-D5 VanDerWaalsContact C-N 3.3Å; H3-D5 PolarHBondContact O-N 2.9Å; D5-G7 PolarHBondContact O-N 2.69Å
6N46.7Very low69.5Low103 Ų10395.1 Ų95.155%0.55151%0.506SS*.  trans-71.930.9-169-89.6-5.1000112L4 S10L4-N6 WeakPolarHBondContact CB-OD1 3.28Å; L4-N6 PolarHBondContact O-N 3.35Å; N6-S10 WeakPolarHBondContact O-CA 3.15Å; N6-S10 PolarHBondContact O-N 3.22Å
7G64.9Low70.8Confident42 Ų4295.9 Ų95.943%0.43352%0.518SS..THydrogen-bonded Turntrans49-160.4-173.100000112.3D5 R9D5-G7 PolarHBondContact O-N 2.69Å; G7-R9 PolarHBondContact O-N 2.81Å; G7-R9 VanDerWaalsContact O-N 3.07Å
8F82.2Confident71.9Confident2 Ų294.3 Ų94.31%0.00952%0.52CS..BIsolated β-bridgetrans-77.190.5168.5-174-102.2000109.4S10 L11 L13 W28 D32 E33 L36 A57 L58 A61F8-S10 VanDerWaalsContact C-N 3.28Å; F8-S10 PolarHBondContact O-N 3.45Å; F8-L11 HydrophobicContact CD1-CD1 4.04Å; F8-L11 HydrophobicContact CE1-CD1 4.39Å; F8-L11 VanDerWaalsContact O-CB 3.31Å; F8-L11 WeakPolarHBondContact O-CB 3.07Å; F8-L11 PolarHBondContact O-N 2.92Å; F8-L13 HydrophobicContact CB-CD1 4.09Å; F8-L13 HydrophobicContact CD1-CD1 3.55Å; F8-L13 HydrophobicContact CE1-CD1 4.23Å; F8-L13 HydrophobicContact CG-CD1 4.06Å; F8-W28 HydrophobicContact CB-CD2 3.89Å; F8-W28 HydrophobicContact CB-CG 3.92Å; F8-W28 HydrophobicContact CB-CZ2 4.27Å; F8-W28 HydrophobicContact CD2-CB 4.09Å; F8-W28 AromaticContact CD2-CD2 3.39Å; F8-W28 HydrophobicContact CD2-CD2 3.39Å; F8-W28 AromaticContact CD2-CE2 3.99Å; F8-W28 AromaticContact CD2-CE3 3.35Å; F8-W28 HydrophobicContact CD2-CE3 3.35Å; F8-W28 AromaticContact CD2-CG 3.7Å; F8-W28 HydrophobicContact CD2-CG 3.7Å; F8-W28 HydrophobicContact CD2-CH2 4.46Å; F8-W28 HydrophobicContact CD2-CZ2 4.49Å; F8-W28 AromaticContact CD2-CZ3 3.94Å; F8-W28 HydrophobicContact CD2-CZ3 3.94Å; F8-W28 HydrophobicContact CE2-CB 4.25Å; F8-W28 HydrophobicContact CE2-CD2 4.15Å; F8-W28 AromaticContact CE2-CE3 3.83Å; F8-W28 HydrophobicContact CE2-CE3 3.83Å; F8-W28 HydrophobicContact CE2-CG 4.33Å; F8-W28 HydrophobicContact CG-CB 4.36Å; F8-W28 AromaticContact CG-CD2 3.94Å; F8-W28 HydrophobicContact CG-CD2 3.94Å; F8-W28 HydrophobicContact CG-CE3 4.34Å; F8-W28 AromaticContact CG-CG 3.91Å; F8-W28 HydrophobicContact CG-CG 3.91Å; F8-D32 HydrophobicContact CE2-CB 3.69Å; F8-D32 HydrophobicContact CZ-CB 3.81Å; F8-E33 HydrophobicContact CD2-CB 4.17Å; F8-E33 HydrophobicContact CE2-CB 3.87Å; F8-L36 HydrophobicContact CE1-CD1 3.58Å; F8-L36 HydrophobicContact CE2-CD1 4.1Å; F8-L36 HydrophobicContact CZ-CD1 3.25Å; F8-L36 HydrophobicContact CZ-CG 4.3Å; F8-A57 HydrophobicContact CD1-CB 4.42Å; F8-A57 HydrophobicContact CE1-CB 3.89Å; F8-A57 WeakPolarHBondContact CE1-O 3.42Å; F8-A57 HydrophobicContact CZ-CB 4.07Å; F8-L58 HydrophobicContact CZ-CD2 4.49Å; F8-A61 HydrophobicContact CE1-CB 4.08Å
9R88.3Confident72.7Confident107 Ų10792.2 Ų92.240%0.40451%0.51SS..THydrogen-bonded Turntrans51.143-179.2-59.5-168.3177.3-144.6-11.6113.8G7 L11 L36 D40G7-R9 PolarHBondContact O-N 2.81Å; G7-R9 VanDerWaalsContact O-N 3.07Å; R9-L11 PolarHBondContact O-N 3.15Å; R9-L11 VanDerWaalsContact O-N 3.15Å; R9-L36 VanDerWaalsContact NH2-C 3.3Å; R9-L36 PolarHBondContact NH2-O 2.82Å; R9-D40 IonicContact CZ-OD1 2.89Å; R9-D40 IonicContact NH1-OD1 3.04Å; R9-D40 PolarHBondContact NH1-OD1 2.96Å; R9-D40 IonicContact NH2-OD1 3.11Å; R9-D40 PolarHBondContact NH2-OD1 3.12Å; R9-D40 IonicContact NH2-OD2 3.15Å; R9-D40 PolarHBondContact NH2-OD2 2.95Å
10S91.5Very high73.4Confident92 Ų9292.4 Ų92.464%0.64351%0.51SS*.THydrogen-bonded Turntrans6214.5-178-54.10000115.4N6 F8N6-S10 WeakPolarHBondContact O-CA 3.15Å; N6-S10 PolarHBondContact O-N 3.22Å; F8-S10 VanDerWaalsContact C-N 3.28Å; F8-S10 PolarHBondContact O-N 3.45Å
11L95.9Very high73.6Confident34 Ų3495 Ų9518%0.17852%0.524CS..BIsolated β-bridgetrans-84.3139.9171.8-65.5167.8000111.2F8 R9 L13 C60 A61 N87 I89F8-L11 HydrophobicContact CD1-CD1 4.04Å; F8-L11 HydrophobicContact CE1-CD1 4.39Å; F8-L11 VanDerWaalsContact O-CB 3.31Å; F8-L11 WeakPolarHBondContact O-CB 3.07Å; F8-L11 PolarHBondContact O-N 2.92Å; R9-L11 PolarHBondContact O-N 3.15Å; R9-L11 VanDerWaalsContact O-N 3.15Å; L11-L13 HydrophobicContact CB-CD1 4.33Å; L11-L13 HydrophobicContact CB-CD2 4.18Å; L11-L13 HydrophobicContact CB-CG 3.96Å; L11-C60 HydrophobicContact CD1-CB 3.94Å; L11-C60 HydrophobicContact CD2-CB 4.5Å; L11-A61 HydrophobicContact CD1-CB 3.91Å; L11-N87 WeakPolarHBondContact CA-OD1 3.46Å; L11-N87 HydrophobicContact CD2-CB 4.04Å; L11-N87 WeakPolarHBondContact CD2-OD1 3.43Å; L11-I89 HydrophobicContact CD2-CD1 4.48Å
12T95.1Very high75.9Confident86 Ų8689.4 Ų89.453%0.52850%0.502SS..  trans-90.6109168.5-58.20000108.7N87T12-N87 PolarHBondContact N-OD1 3.41Å; T12-N87 PolarHBondContact O-ND2 3.21Å
13L96.3Very high78.2Confident25 Ų2586.7 Ų86.713%0.13148%0.479CS..  trans-122.7134.5-174.9-59.2174.9000111.5F8 L11 A27 W28 A57 C60 N83F8-L13 HydrophobicContact CB-CD1 4.09Å; F8-L13 HydrophobicContact CD1-CD1 3.55Å; F8-L13 HydrophobicContact CE1-CD1 4.23Å; F8-L13 HydrophobicContact CG-CD1 4.06Å; L11-L13 HydrophobicContact CB-CD1 4.33Å; L11-L13 HydrophobicContact CB-CD2 4.18Å; L11-L13 HydrophobicContact CB-CG 3.96Å; L13-A27 HydrophobicContact CB-CB 3.65Å; L13-W28 HydrophobicContact CD1-CB 4.46Å; L13-A57 HydrophobicContact CD1-CB 3.7Å; L13-C60 HydrophobicContact CD2-CB 4.24Å; L13-N83 WeakPolarHBondContact CA-OD1 3.45Å; L13-N83 HydrophobicContact CD2-CB 3.79Å
14Q95.6Very high80.6Confident82 Ų8283.4 Ų83.438%0.38348%0.475SS..  trans-119.2152.3178-67.2-171.9-1100112A27 N83 L86Q14-A27 VanDerWaalsContact C-CB 3.41Å; Q14-A27 WeakPolarHBondContact O-CB 3.23Å; Q14-N83 PolarHBondContact N-OD1 3.32Å; Q14-N83 PolarHBondContact O-ND2 3.5Å; Q14-L86 HydrophobicContact CB-CD1 4.18Å; Q14-L86 HydrophobicContact CG-CD1 3.78Å
15R95.8Very high82.9Confident56 Ų5681.6 Ų81.621%0.21147%0.465CS..  trans-76.8170.2169.5-67.8179.662.182.33.4110.5P17 A18 T19 L25 Q26 A27 F55R15-P17 CarbonylContact C-O 3.56Å; R15-P17 VanDerWaalsContact C-O 3.28Å; R15-P17 WeakPolarHBondContact CB-O 3.36Å; R15-P17 CarbonylContact O-C 3.52Å; R15-P17 VanDerWaalsContact O-C 3.31Å; R15-A18 WeakPolarHBondContact O-CA 3.48Å; R15-A18 PolarHBondContact O-N 3.13Å; R15-T19 HydrophobicContact CB-CG2 4.28Å; R15-L25 WeakPolarHBondContact CD-O 3.5Å; R15-Q26 WeakPolarHBondContact CD-O 3.47Å; R15-Q26 WeakPolarHBondContact CG-O 3.43Å; R15-Q26 PolarHBondContact NH1-O 3.42Å; R15-A27 HydrophobicContact CG-CB 4.29Å; R15-F55 HydrophobicContact CB-CD1 4.36Å; R15-F55 HydrophobicContact CB-CE1 4.16Å; R15-F55 HydrophobicContact CB-CZ 4.45Å; R15-F55 HydrophobicContact CG-CE1 4.48Å; R15-F55 HydrophobicContact CG-CE2 4.38Å; R15-F55 HydrophobicContact CG-CZ 4.35Å; R15-F55 VanDerWaalsContact CZ-CZ 3.49Å
16F93.2Very high85.2Confident74 Ų7478.5 Ų78.533%0.32545%0.445SS..SBendtrans-128.9115.8170.9-155.6-86.6000110.6F55 I75 L78 A79F16-F55 HydrophobicContact CB-CD1 4.37Å; F16-F55 HydrophobicContact CB-CE1 4.46Å; F16-I75 HydrophobicContact CB-CG2 4.32Å; F16-I75 HydrophobicContact CD1-CD1 4.3Å; F16-I75 HydrophobicContact CD1-CG2 4.1Å; F16-I75 HydrophobicContact CE1-CD1 4.4Å; F16-L78 HydrophobicContact CE1-CB 4.47Å; F16-L78 HydrophobicContact CE1-CD1 4.34Å; F16-L78 HydrophobicContact CE2-CB 4.45Å; F16-L78 HydrophobicContact CZ-CB 4.32Å; F16-L78 HydrophobicContact CZ-CD1 4.44Å; F16-A79 HydrophobicContact CB-CB 3.61Å; F16-A79 HydrophobicContact CG-CB 4.36Å
17P90.9Very high87.4Confident109 Ų10973.8 Ų73.871%0.70842%0.421SS*.SBendcis-58.2156.7-10.4-21.434000113.1R15R15-P17 CarbonylContact C-O 3.56Å; R15-P17 VanDerWaalsContact C-O 3.28Å; R15-P17 WeakPolarHBondContact CB-O 3.36Å; R15-P17 CarbonylContact O-C 3.52Å; R15-P17 VanDerWaalsContact O-C 3.31Å
18A90.8Very high88.9Confident66 Ų6675 Ų7555%0.54541%0.413SS..  trans-60145.6176.800000111R15R15-A18 WeakPolarHBondContact O-CA 3.48Å; R15-A18 PolarHBondContact O-N 3.13Å
19T88.2Confident89.5Confident55 Ų5577.4 Ų77.434%0.33742%0.424SS..  trans-114.6156.2178.853.60000110.4R15 N23R15-T19 HydrophobicContact CB-CG2 4.28Å; T19-N23 HydrophobicContact CG2-CB 4.36Å
20D85.6Confident89.9Confident95 Ų9573.2 Ų73.251%0.50841%0.412SS..  trans-72.4171.5168.957.333.2000112V22 N23D20-V22 VanDerWaalsContact C-N 3.29Å; D20-V22 HydrophobicContact CB-CG2 4.45Å; D20-V22 PolarHBondContact O-N 2.93Å; D20-V22 WeakPolarHBondContact OD1-CG2 3.35Å; D20-V22 PolarHBondContact OD1-N 2.92Å; D20-N23 WeakPolarHBondContact O-CB 3.21Å; D20-N23 PolarHBondContact O-N 3.38Å; D20-N23 WeakPolarHBondContact OD1-CB 3.29Å; D20-N23 PolarHBondContact OD1-N 3Å
21D77.1Confident90.2Very high149 Ų14968.9 Ų68.980%0.79738%0.382SS*.THydrogen-bonded Turntrans-72.4-19-177.758.9-33.4000113.7
22V79.3Confident90.3Very high116 Ų11667.5 Ų67.570%0.70338%0.375SS*.THydrogen-bonded Turntrans-84.4-12.6175.2-62.90000112.9D20 P24D20-V22 VanDerWaalsContact C-N 3.29Å; D20-V22 HydrophobicContact CB-CG2 4.45Å; D20-V22 PolarHBondContact O-N 2.93Å; D20-V22 WeakPolarHBondContact OD1-CG2 3.35Å; D20-V22 PolarHBondContact OD1-N 2.92Å; V22-P24 WeakPolarHBondContact O-CD 3.26Å
23N78.4Confident90.4Very high49 Ų4965 Ų6526%0.26236%0.357SS..  trans-71.8123.4176.5-158.7-44.3000110.8T19 D20 L25 Q26T19-N23 HydrophobicContact CG2-CB 4.36Å; D20-N23 WeakPolarHBondContact O-CB 3.21Å; D20-N23 PolarHBondContact O-N 3.38Å; D20-N23 WeakPolarHBondContact OD1-CB 3.29Å; D20-N23 PolarHBondContact OD1-N 3Å; N23-L25 PolarHBondContact O-N 3.11Å; N23-L25 VanDerWaalsContact O-N 3.14Å; N23-L25 VanDerWaalsContact OD1-CB 3.26Å; N23-L25 WeakPolarHBondContact OD1-CB 3.2Å; N23-L25 WeakPolarHBondContact OD1-CG 3.49Å; N23-L25 PolarHBondContact OD1-N 3.32Å; N23-Q26 PolarHBondContact O-NE2 2.91Å
24P80.3Confident90.5Very high119 Ų11965.3 Ų65.377%0.77336%0.357SS*.SBendtrans-66.6-16.4177.328.3-36.2000112.7V22 Q26V22-P24 WeakPolarHBondContact O-CD 3.26Å; P24-Q26 PolarHBondContact O-N 3.02Å
25L82Confident90.6Very high92 Ų9261.4 Ų61.448%0.48234%0.338SS..  trans-80.3117.2176.5-60.3176.4000109.8R15 N23R15-L25 WeakPolarHBondContact CD-O 3.5Å; N23-L25 PolarHBondContact O-N 3.11Å; N23-L25 VanDerWaalsContact O-N 3.14Å; N23-L25 VanDerWaalsContact OD1-CB 3.26Å; N23-L25 WeakPolarHBondContact OD1-CB 3.2Å; N23-L25 WeakPolarHBondContact OD1-CG 3.49Å; N23-L25 PolarHBondContact OD1-N 3.32Å
26Q90Very high90.7Very high95 Ų9558.8 Ų58.844%0.44433%0.329SS..  trans-101.4172173.8-62.6-66.1-45.500110.6R15 N23 P24 W28R15-Q26 WeakPolarHBondContact CD-O 3.47Å; R15-Q26 WeakPolarHBondContact CG-O 3.43Å; R15-Q26 PolarHBondContact NH1-O 3.42Å; N23-Q26 PolarHBondContact O-NE2 2.91Å; P24-Q26 PolarHBondContact O-N 3.02Å; Q26-W28 WeakPolarHBondContact CB-O 3.33Å; Q26-W28 PolarHBondContact O-N 3.41Å
27A94.9Very high90.9Very high5 Ų558.2 Ų58.24%0.04133%0.327CS..SBendtrans-73.8-14.4175.300000113.3L13 Q14 R15 F55L13-A27 HydrophobicContact CB-CB 3.65Å; Q14-A27 VanDerWaalsContact C-CB 3.41Å; Q14-A27 WeakPolarHBondContact O-CB 3.23Å; R15-A27 HydrophobicContact CG-CB 4.29Å; A27-F55 HydrophobicContact CB-CB 4.24Å; A27-F55 WeakPolarHBondContact O-CD2 3.24Å
28W96.3Very high91.2Very high67 Ų6755.2 Ų55.225%0.25430%0.303SS..SBendtrans-138.1165.7178.168.6-84.5000109.3F8 L13 Q26 D32 E33 A57F8-W28 HydrophobicContact CB-CD2 3.89Å; F8-W28 HydrophobicContact CB-CG 3.92Å; F8-W28 HydrophobicContact CB-CZ2 4.27Å; F8-W28 HydrophobicContact CD2-CB 4.09Å; F8-W28 AromaticContact CD2-CD2 3.39Å; F8-W28 HydrophobicContact CD2-CD2 3.39Å; F8-W28 AromaticContact CD2-CE2 3.99Å; F8-W28 AromaticContact CD2-CE3 3.35Å; F8-W28 HydrophobicContact CD2-CE3 3.35Å; F8-W28 AromaticContact CD2-CG 3.7Å; F8-W28 HydrophobicContact CD2-CG 3.7Å; F8-W28 HydrophobicContact CD2-CH2 4.46Å; F8-W28 HydrophobicContact CD2-CZ2 4.49Å; F8-W28 AromaticContact CD2-CZ3 3.94Å; F8-W28 HydrophobicContact CD2-CZ3 3.94Å; F8-W28 HydrophobicContact CE2-CB 4.25Å; F8-W28 HydrophobicContact CE2-CD2 4.15Å; F8-W28 AromaticContact CE2-CE3 3.83Å; F8-W28 HydrophobicContact CE2-CE3 3.83Å; F8-W28 HydrophobicContact CE2-CG 4.33Å; F8-W28 HydrophobicContact CG-CB 4.36Å; F8-W28 AromaticContact CG-CD2 3.94Å; F8-W28 HydrophobicContact CG-CD2 3.94Å; F8-W28 HydrophobicContact CG-CE3 4.34Å; F8-W28 AromaticContact CG-CG 3.91Å; F8-W28 HydrophobicContact CG-CG 3.91Å; L13-W28 HydrophobicContact CD1-CB 4.46Å; Q26-W28 WeakPolarHBondContact CB-O 3.33Å; Q26-W28 PolarHBondContact O-N 3.41Å; W28-D32 HydrophobicContact CB-CB 4.4Å; W28-E33 HydrophobicContact CE3-CB 4.24Å; W28-E33 HydrophobicContact CZ3-CB 3.77Å; W28-E33 HydrophobicContact CZ3-CG 4.42Å; W28-E33 WeakPolarHBondContact CZ3-OE2 3.17Å; W28-A57 HydrophobicContact CB-CB 3.76Å
29E94.4Very high91.5Very high52 Ų5252.5 Ų52.524%0.24328%0.28CS..  trans-135.9168.5172.361.3179178.700111.1A31 D32 E33 K113 K143E29-A31 HydrophobicContact CG-CB 4.11Å; E29-A31 PolarHBondContact O-N 2.91Å; E29-D32 VanDerWaalsContact CG-OD2 3.29Å; E29-D32 WeakPolarHBondContact CG-OD2 3.46Å; E29-D32 PolarHBondContact N-OD2 2.68Å; E29-D32 WeakPolarHBondContact O-CB 3.39Å; E29-D32 PolarHBondContact O-N 3.11Å; E29-E33 PolarHBondContact O-N 3.39Å; E29-K113 WeakPolarHBondContact OE1-CE 3.26Å; E29-K113 IonicContact OE1-NZ 2.67Å; E29-K113 PolarHBondContact OE1-NZ 2.84Å; E29-K143 VanDerWaalsContact OE2-CE 3.28Å; E29-K143 WeakPolarHBondContact OE2-CE 3.49Å; E29-K143 IonicContact OE2-NZ 2.61Å; E29-K143 PolarHBondContact OE2-NZ 2.98Å
30A96.1Very high91.8Very high19 Ų1954 Ų5416%0.15729%0.286CS..Hα-helixtrans-51.4-27.8-179.300000114.4E33 Y34 W168 K169 A171A30-E33 PolarHBondContact O-N 3.18Å; A30-Y34 WeakPolarHBondContact O-CB 3.48Å; A30-Y34 PolarHBondContact O-N 3.43Å; A30-W168 HydrophobicContact CB-CZ3 4.38Å; A30-K169 HydrophobicContact CB-CB 3.6Å; A30-K169 HydrophobicContact CB-CD 4.36Å; A30-K169 WeakPolarHBondContact CB-O 3.28Å; A30-A171 HydrophobicContact CB-CB 3.95Å
31A97.6Very high92.1Very high1 Ų157.7 Ų57.71%0.00831%0.305CS..Hα-helixtrans-66.4-35.6175.800000112.9E29 L35 A171E29-A31 HydrophobicContact CG-CB 4.11Å; E29-A31 PolarHBondContact O-N 2.91Å; A31-L35 WeakPolarHBondContact O-CB 3.39Å; A31-L35 VanDerWaalsContact O-CG 3.25Å; A31-L35 WeakPolarHBondContact O-CG 3.39Å; A31-L35 PolarHBondContact O-N 3.45Å; A31-A171 HydrophobicContact CB-CB 3.89Å
32D98.1Very high92.9Very high5 Ų553 Ų533%0.02728%0.282CS..Hα-helixtrans-65.2-45.5174.6-57-61.3000110.4F8 W28 E29 Y34 L35 L36 L58 K113F8-D32 HydrophobicContact CE2-CB 3.69Å; F8-D32 HydrophobicContact CZ-CB 3.81Å; W28-D32 HydrophobicContact CB-CB 4.4Å; E29-D32 VanDerWaalsContact CG-OD2 3.29Å; E29-D32 WeakPolarHBondContact CG-OD2 3.46Å; E29-D32 PolarHBondContact N-OD2 2.68Å; E29-D32 WeakPolarHBondContact O-CB 3.39Å; E29-D32 PolarHBondContact O-N 3.11Å; D32-Y34 VanDerWaalsContact C-N 3.31Å; D32-Y34 PolarHBondContact O-N 3.47Å; D32-L35 PolarHBondContact O-N 3.2Å; D32-L36 PolarHBondContact O-N 3.38Å; D32-L36 VanDerWaalsContact O-N 3.12Å; D32-L58 HydrophobicContact CB-CD2 4.04Å; D32-L58 HydrophobicContact CB-CG 4.37Å; D32-L58 WeakPolarHBondContact O-CD2 3.38Å; D32-K113 WeakPolarHBondContact OD1-CD 3.43Å; D32-K113 WeakPolarHBondContact OD1-CE 3.46Å; D32-K113 IonicContact OD1-NZ 3.64Å; D32-K113 PolarHBondContact OD1-NZ 2.71Å; D32-K113 IonicContact OD2-NZ 2.89Å; D32-K113 PolarHBondContact OD2-NZ 2.9Å; D32-K113 VanDerWaalsContact OD2-NZ 3.11Å
33E97.3Very high93.6Very high35 Ų3554.4 Ų54.416%0.16428%0.281CS..Hα-helixtrans-66.2-41.1-178.4-169.9-174.4178.500109.8F8 W28 E29 A30 L35 L36 Q37 W168 K169F8-E33 HydrophobicContact CD2-CB 4.17Å; F8-E33 HydrophobicContact CE2-CB 3.87Å; W28-E33 HydrophobicContact CE3-CB 4.24Å; W28-E33 HydrophobicContact CZ3-CB 3.77Å; W28-E33 HydrophobicContact CZ3-CG 4.42Å; W28-E33 WeakPolarHBondContact CZ3-OE2 3.17Å; E29-E33 PolarHBondContact O-N 3.39Å; A30-E33 PolarHBondContact O-N 3.18Å; E33-L35 PolarHBondContact O-N 3.07Å; E33-L36 PolarHBondContact O-N 3.29Å; E33-Q37 WeakPolarHBondContact O-CG 3.3Å; E33-Q37 PolarHBondContact O-N 2.89Å; E33-W168 HydrophobicContact CB-CH2 4.25Å; E33-W168 HydrophobicContact CB-CZ3 4.13Å; E33-W168 VanDerWaalsContact CD-CH2 3.45Å; E33-W168 HydrophobicContact CG-CH2 3.88Å; E33-W168 HydrophobicContact CG-CZ3 4.25Å; E33-W168 VanDerWaalsContact OE2-CH2 3.26Å; E33-W168 WeakPolarHBondContact OE2-CH2 3.18Å; E33-K169 IonicContact OE1-NZ 2.94Å; E33-K169 IonicContact OE2-NZ 2.95Å; E33-K169 PolarHBondContact OE2-NZ 3.09Å
34Y97.8Very high94.5Very high30 Ų3053.6 Ų53.612%0.11828%0.277CS..Hα-helixtrans-68.7-35.7-179.7-161.2-172.3000112.3A30 D32 Q37 Q38 T165 L166 W168 A171 L173A30-Y34 WeakPolarHBondContact O-CB 3.48Å; A30-Y34 PolarHBondContact O-N 3.43Å; D32-Y34 VanDerWaalsContact C-N 3.31Å; D32-Y34 PolarHBondContact O-N 3.47Å; Y34-Q37 PolarHBondContact O-N 3.18Å; Y34-Q38 VanDerWaalsContact CE2-NE2 3.34Å; Y34-Q38 WeakPolarHBondContact O-CG 3.44Å; Y34-Q38 PolarHBondContact O-N 3.22Å; Y34-Q38 PolarHBondContact O-NE2 3.13Å; Y34-T165 WeakPolarHBondContact CE1-OG1 3.28Å; Y34-T165 WeakPolarHBondContact OH-CB 3.46Å; Y34-T165 PolarHBondContact OH-OG1 2.82Å; Y34-L166 PolarHBondContact OH-O 3.25Å; Y34-W168 HydrophobicContact CD1-CB 3.9Å; Y34-W168 HydrophobicContact CD1-CE3 4.12Å; Y34-W168 HydrophobicContact CD2-CE3 4.25Å; Y34-W168 HydrophobicContact CE1-CB 3.56Å; Y34-W168 HydrophobicContact CE2-CB 4.42Å; Y34-W168 HydrophobicContact CG-CB 4.47Å; Y34-W168 HydrophobicContact CG-CD2 4.44Å; Y34-W168 AromaticContact CG-CE3 3.8Å; Y34-W168 HydrophobicContact CG-CE3 3.8Å; Y34-W168 HydrophobicContact CG-CZ3 4.38Å; Y34-A171 HydrophobicContact CD1-CB 4.29Å; Y34-L173 HydrophobicContact CD1-CD1 3.89Å; Y34-L173 HydrophobicContact CD1-CD2 3.94Å; Y34-L173 HydrophobicContact CD1-CG 3.58Å; Y34-L173 HydrophobicContact CD2-CD1 3.81Å; Y34-L173 HydrophobicContact CD2-CG 4.42Å; Y34-L173 HydrophobicContact CE1-CD1 4.15Å; Y34-L173 HydrophobicContact CE1-CG 3.85Å; Y34-L173 HydrophobicContact CE2-CD1 4.06Å; Y34-L173 HydrophobicContact CG-CD1 3.7Å; Y34-L173 HydrophobicContact CG-CD2 4.12Å; Y34-L173 HydrophobicContact CG-CG 3.88Å
35L98.3Very high95.2Very high0 Ų056 Ų560%027%0.27CS..Hα-helixtrans-61-48.4172.2-80.7166.6000111.3A31 D32 E33 Q37 Q38 L58 L111 K113 I139 L173A31-L35 WeakPolarHBondContact O-CB 3.39Å; A31-L35 VanDerWaalsContact O-CG 3.25Å; A31-L35 WeakPolarHBondContact O-CG 3.39Å; A31-L35 PolarHBondContact O-N 3.45Å; D32-L35 PolarHBondContact O-N 3.2Å; E33-L35 PolarHBondContact O-N 3.07Å; L35-Q37 VanDerWaalsContact C-N 3.3Å; L35-Q37 PolarHBondContact O-N 2.73Å; L35-Q38 WeakPolarHBondContact O-CB 3.48Å; L35-Q38 PolarHBondContact O-N 3.33Å; L35-Q38 VanDerWaalsContact O-N 3.1Å; L35-L58 HydrophobicContact CB-CD2 4.33Å; L35-L58 HydrophobicContact CD1-CD1 3.99Å; L35-L111 HydrophobicContact CD2-CD2 4.21Å; L35-K113 HydrophobicContact CD1-CD 3.55Å; L35-I139 HydrophobicContact CD2-CB 3.97Å; L35-I139 HydrophobicContact CD2-CG2 3.58Å; L35-L173 HydrophobicContact CD2-CD2 4.03Å; L35-L173 HydrophobicContact CG-CD2 3.95Å
36L97.9Very high95.8Very high1 Ų154 Ų541%0.00527%0.272CS..Hα-helixtrans-62.7-37.5178.6-68.9175.2000112.2F8 R9 D32 E33 Q38 L39 L58 A61 L62F8-L36 HydrophobicContact CE1-CD1 3.58Å; F8-L36 HydrophobicContact CE2-CD1 4.1Å; F8-L36 HydrophobicContact CZ-CD1 3.25Å; F8-L36 HydrophobicContact CZ-CG 4.3Å; R9-L36 VanDerWaalsContact NH2-C 3.3Å; R9-L36 PolarHBondContact NH2-O 2.82Å; D32-L36 PolarHBondContact O-N 3.38Å; D32-L36 VanDerWaalsContact O-N 3.12Å; E33-L36 PolarHBondContact O-N 3.29Å; L36-Q38 PolarHBondContact O-N 3.15Å; L36-L39 WeakPolarHBondContact O-CB 3.5Å; L36-L39 PolarHBondContact O-N 3.02Å; L36-L58 HydrophobicContact CD1-CD2 4.18Å; L36-L58 HydrophobicContact CD2-CD2 3.88Å; L36-L58 HydrophobicContact CG-CD2 3.63Å; L36-A61 HydrophobicContact CD1-CB 3.46Å; L36-A61 VanDerWaalsContact CD1-CB 3.46Å; L36-A61 HydrophobicContact CD2-CB 4.01Å; L36-A61 HydrophobicContact CG-CB 4.41Å; L36-L62 HydrophobicContact CD2-CD1 3.85Å; L36-L62 HydrophobicContact CD2-CD2 4.03Å; L36-L62 HydrophobicContact CD2-CG 3.75Å
37Q96.9Very high96.2Very high63 Ų6351.2 Ų51.229%0.29426%0.262SS..Hα-helixtrans-59-26.6175.6-75.4172.1-3.500113.3E33 Y34 L35 L39 D40 W168E33-Q37 WeakPolarHBondContact O-CG 3.3Å; E33-Q37 PolarHBondContact O-N 2.89Å; Y34-Q37 PolarHBondContact O-N 3.18Å; L35-Q37 VanDerWaalsContact C-N 3.3Å; L35-Q37 PolarHBondContact O-N 2.73Å; Q37-L39 PolarHBondContact O-N 3.31Å; Q37-D40 WeakPolarHBondContact CA-OD2 3.41Å; Q37-D40 PolarHBondContact O-N 3.26Å; Q37-W168 VanDerWaalsContact NE2-CH2 3.27Å
38Q97.2Very high96.4Very high45 Ų4551 Ų5121%0.2126%0.261CS..THydrogen-bonded Turntrans-70.4-11.3175.9-57.5-48-68.500113.6Y34 L35 L36 I139 L173Y34-Q38 VanDerWaalsContact CE2-NE2 3.34Å; Y34-Q38 WeakPolarHBondContact O-CG 3.44Å; Y34-Q38 PolarHBondContact O-N 3.22Å; Y34-Q38 PolarHBondContact O-NE2 3.13Å; L35-Q38 WeakPolarHBondContact O-CB 3.48Å; L35-Q38 PolarHBondContact O-N 3.33Å; L35-Q38 VanDerWaalsContact O-N 3.1Å; L36-Q38 PolarHBondContact O-N 3.15Å; Q38-I139 HydrophobicContact CB-CD1 3.55Å; Q38-I139 HydrophobicContact CG-CD1 4.15Å; Q38-I139 HydrophobicContact CG-CG2 4.3Å; Q38-L173 HydrophobicContact CG-CD1 3.34Å
39L97Very high96.5Very high9 Ų947.8 Ų47.85%0.04725%0.248CC..THydrogen-bonded Turntrans-109-5.8-177.9-55.3-177000113.2L36 Q37 D41 T42 I44 L62 V109 L111 I139L36-L39 WeakPolarHBondContact O-CB 3.5Å; L36-L39 PolarHBondContact O-N 3.02Å; Q37-L39 PolarHBondContact O-N 3.31Å; L39-D41 VanDerWaalsContact C-N 3.3Å; L39-D41 PolarHBondContact O-N 3.07Å; L39-T42 PolarHBondContact O-N 3.31Å; L39-I44 HydrophobicContact CB-CD1 4.2Å; L39-I44 HydrophobicContact CB-CG1 4.5Å; L39-I44 HydrophobicContact CD1-CD1 4.11Å; L39-L62 HydrophobicContact CD1-CD1 4.29Å; L39-L62 HydrophobicContact CD1-CD2 4.38Å; L39-V109 HydrophobicContact CD1-CG1 4.09Å; L39-V109 HydrophobicContact CD2-CG1 4.14Å; L39-L111 HydrophobicContact CD1-CD1 4Å; L39-L111 HydrophobicContact CD1-CD2 4.22Å; L39-L111 HydrophobicContact CD1-CG 4.48Å; L39-I139 HydrophobicContact CD2-CD1 4.2Å
40D95.2Very high96.7Very high88 Ų8845.3 Ų45.347%0.47124%0.237SC..THydrogen-bonded Turntrans-59.4-39.5-174.1-76.2-22.6000113.1R9 Q37R9-D40 IonicContact CZ-OD1 2.89Å; R9-D40 IonicContact NH1-OD1 3.04Å; R9-D40 PolarHBondContact NH1-OD1 2.96Å; R9-D40 IonicContact NH2-OD1 3.11Å; R9-D40 PolarHBondContact NH2-OD1 3.12Å; R9-D40 IonicContact NH2-OD2 3.15Å; R9-D40 PolarHBondContact NH2-OD2 2.95Å; Q37-D40 WeakPolarHBondContact CA-OD2 3.41Å; Q37-D40 PolarHBondContact O-N 3.26Å
41D92.9Very high96.8Very high171 Ų17144.4 Ų44.491%0.91423%0.229SC*.THydrogen-bonded Turntrans-100.622177.4-63-42.6000112.4L39L39-D41 VanDerWaalsContact C-N 3.3Å; L39-D41 PolarHBondContact O-N 3.07Å
42T92.8Very high96.9Very high51 Ų5145.8 Ų45.831%0.31324%0.237SC..SBendtrans-116.9128.2-176.7-59.70000111.3L39 I44L39-T42 PolarHBondContact O-N 3.31Å; T42-I44 PolarHBondContact O-N 2.8Å; T42-I44 VanDerWaalsContact O-N 3.11Å
43E94.6Very high96.9Very high145 Ų14545.8 Ų45.868%0.67824%0.236SC*.  trans-66.7108.8165.2-176.1-172.2-139.100109R45E43-R45 PolarHBondContact O-N 2.85Å; E43-R45 IonicContact OE2-CZ 3.51Å; E43-R45 IonicContact OE2-NE 3.19Å; E43-R45 PolarHBondContact OE2-NE 2.87Å; E43-R45 IonicContact OE2-NH2 2.9Å; E43-R45 PolarHBondContact OE2-NH2 2.79Å
44I96.4Very high97Very high33 Ų3346 Ų4617%0.16925%0.245CC..  trans-76.8115.7-178.7-63.8170.9000109.8L39 T42 V48 L62 H65 V109L39-I44 HydrophobicContact CB-CD1 4.2Å; L39-I44 HydrophobicContact CB-CG1 4.5Å; L39-I44 HydrophobicContact CD1-CD1 4.11Å; T42-I44 PolarHBondContact O-N 2.8Å; T42-I44 VanDerWaalsContact O-N 3.11Å; I44-V48 HydrophobicContact CG2-CG2 3.54Å; I44-L62 HydrophobicContact CD1-CD2 3.84Å; I44-H65 WeakPolarHBondContact CD1-NE2 3.36Å; I44-H65 HydrophobicContact CG2-CB 4.32Å; I44-V109 HydrophobicContact CG2-CG2 4.19Å
45R94.8Very high97Very high168 Ų16845.8 Ų45.863%0.63424%0.244SC*.PPolyproline II helixtrans-102127.1169.7-63.1-175.4-177.5-168.6-0.2109.8E43 G108E43-R45 PolarHBondContact O-N 2.85Å; E43-R45 IonicContact OE2-CZ 3.51Å; E43-R45 IonicContact OE2-NE 3.19Å; E43-R45 PolarHBondContact OE2-NE 2.87Å; E43-R45 IonicContact OE2-NH2 2.9Å; E43-R45 PolarHBondContact OE2-NH2 2.79Å; R45-G108 VanDerWaalsContact O-CA 3.26Å; R45-G108 WeakPolarHBondContact O-CA 3.47Å
46G94.5Very high97Very high51 Ų5145.8 Ų45.853%0.52624%0.244SC..SBendtrans-76.5167.217600000112.6
47P98.7Very high97Very high36 Ų3645.8 Ų45.823%0.23424%0.244CC..PPolyproline II helixcis-62.2144.7-5.2-24.933.7000114.4L49 Y68 P104 P107 G108 V109P47-L49 HydrophobicContact CB-CD2 4.2Å; P47-Y68 HydrophobicContact CB-CD2 4.33Å; P47-Y68 HydrophobicContact CB-CE2 4.14Å; P47-P104 HydrophobicContact CB-CB 3.94Å; P47-P104 HydrophobicContact CG-CB 3.95Å; P47-P107 HydrophobicContact CB-CB 4.31Å; P47-P107 CarbonylContact O-C 3.57Å; P47-P107 WeakPolarHBondContact O-CA 3.34Å; P47-P107 WeakPolarHBondContact O-CB 3.39Å; P47-G108 PolarHBondContact O-N 2.67Å; P47-V109 PolarHBondContact O-N 2.9Å
48V98.8Very high97.1Very high1 Ų142.8 Ų42.81%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-104.3116.3171.1-179.50000107.9I44 I50 L62 H65 P67 Y68 V109I44-V48 HydrophobicContact CG2-CG2 3.54Å; V48-I50 HydrophobicContact CG1-CG1 4.14Å; V48-L62 HydrophobicContact CG1-CD1 4.23Å; V48-H65 HydrophobicContact CG2-CB 3.9Å; V48-P67 HydrophobicContact CB-CB 4.19Å; V48-P67 HydrophobicContact CG1-CB 4.18Å; V48-P67 WeakPolarHBondContact O-CA 3.09Å; V48-Y68 PolarHBondContact O-N 2.89Å; V48-V109 WeakPolarHBondContact CA-O 3.38Å; V48-V109 HydrophobicContact CG1-CB 4.39Å; V48-V109 HydrophobicContact CG1-CG1 4.45Å; V48-V109 HydrophobicContact CG2-CB 4.4Å
49L98.9Very high97.2Very high0 Ų040.6 Ų40.60%022%0.22CC..EExtended strand (participates in β ladder)trans-103.9129.3177.1-48-172000109.4P47 L51 Y68 I70 P104 P107 V109 V110 L111 L128 V131P47-L49 HydrophobicContact CB-CD2 4.2Å; L49-L51 HydrophobicContact CB-CD1 4.04Å; L49-Y68 HydrophobicContact CD2-CD2 3.94Å; L49-Y68 HydrophobicContact CD2-CG 4.13Å; L49-I70 HydrophobicContact CB-CD1 4.05Å; L49-I70 HydrophobicContact CD1-CD1 4.16Å; L49-I70 HydrophobicContact CD2-CD1 4.23Å; L49-I70 HydrophobicContact CG-CD1 4.36Å; L49-P104 HydrophobicContact CD2-CB 4.11Å; L49-P104 HydrophobicContact CD2-CG 3.7Å; L49-P107 HydrophobicContact CD1-CB 3.8Å; L49-P107 HydrophobicContact CD1-CG 3.84Å; L49-P107 HydrophobicContact CD2-CB 4.41Å; L49-P107 HydrophobicContact CG-CB 3.69Å; L49-P107 HydrophobicContact CG-CG 4.29Å; L49-V109 PolarHBondContact N-O 3.25Å; L49-V110 HydrophobicContact CB-CG2 4.25Å; L49-V110 HydrophobicContact CD1-CG2 4.24Å; L49-V110 HydrophobicContact CG-CG2 4.35Å; L49-V110 CarbonylContact O-C 3.49Å; L49-V110 WeakPolarHBondContact O-CA 3.43Å; L49-L111 PolarHBondContact O-N 2.83Å; L49-L128 HydrophobicContact CD1-CD2 3.9Å; L49-V131 HydrophobicContact CD1-CG2 4.49Å
50I99Very high97.3Very high0 Ų040.4 Ų40.40%022%0.219CC..EExtended strand (participates in β ladder)trans-122.7112.5179.3-52177.4000107.6V48 D53 L58 L62 P67 Y68 S69 I70 L111V48-I50 HydrophobicContact CG1-CG1 4.14Å; I50-D53 HydrophobicContact CG2-CB 3.8Å; I50-L58 HydrophobicContact CD1-CB 4.06Å; I50-L58 HydrophobicContact CG2-CB 3.7Å; I50-L58 HydrophobicContact CG2-CD1 3.75Å; I50-L58 HydrophobicContact CG2-CG 4.38Å; I50-L62 HydrophobicContact CD1-CB 4.37Å; I50-L62 HydrophobicContact CD1-CD1 4Å; I50-P67 HydrophobicContact CD1-CB 3.63Å; I50-P67 HydrophobicContact CD1-CG 4.01Å; I50-P67 HydrophobicContact CG1-CB 4.12Å; I50-Y68 PolarHBondContact N-O 3.38Å; I50-S69 CarbonylContact O-C 3.58Å; I50-S69 WeakPolarHBondContact O-CA 3.45Å; I50-I70 PolarHBondContact O-N 3.39Å; I50-L111 CarbonylContact C-O 3.49Å; I50-L111 WeakPolarHBondContact CA-O 3.43Å
51L98.9Very high97.4Very high0 Ų037.9 Ų37.90%021%0.211CC..EExtended strand (participates in β ladder)trans-100.5132.4-176.2-73.973.2000110.9L49 D53 I70 Y103 V110 L111 I112 K113 Q124 L128L49-L51 HydrophobicContact CB-CD1 4.04Å; L51-D53 VanDerWaalsContact C-N 3.35Å; L51-D53 PolarHBondContact O-N 2.94Å; L51-I70 CarbonylContact C-O 3.58Å; L51-I70 VanDerWaalsContact CA-O 3.3Å; L51-I70 WeakPolarHBondContact CA-O 3.37Å; L51-I70 HydrophobicContact CD1-CB 4.5Å; L51-I70 HydrophobicContact CD1-CD1 4.26Å; L51-I70 HydrophobicContact CG-CB 4.13Å; L51-I70 HydrophobicContact CG-CG2 4.43Å; L51-Y103 HydrophobicContact CD2-CE2 4.47Å; L51-V110 HydrophobicContact CD1-CG1 4.04Å; L51-L111 PolarHBondContact N-O 2.81Å; L51-I112 HydrophobicContact CB-CB 4.49Å; L51-I112 HydrophobicContact CB-CG1 4.35Å; L51-I112 HydrophobicContact CB-CG2 4.27Å; L51-I112 HydrophobicContact CD1-CG1 4.45Å; L51-I112 HydrophobicContact CD2-CG1 4.38Å; L51-K113 PolarHBondContact O-N 3.17Å; L51-Q124 HydrophobicContact CD2-CB 3.81Å; L51-Q124 HydrophobicContact CD2-CG 4.07Å; L51-L128 HydrophobicContact CD2-CD1 3.89Å; L51-L128 HydrophobicContact CD2-CG 4.39Å
52N98.8Very high97.7Very high30 Ų3030.2 Ų30.216%0.1617%0.17CC..  trans60.136.7173.9-42.6-57.3000114.4A54 I70 K113 Q124N52-A54 PolarHBondContact O-N 2.88Å; N52-I70 PolarHBondContact N-O 3.11Å; N52-K113 HydrophobicContact CB-CB 4.14Å; N52-K113 WeakPolarHBondContact CB-O 3.39Å; N52-K113 PolarHBondContact ND2-O 3.29Å; N52-K113 WeakPolarHBondContact O-CB 3.36Å; N52-Q124 PolarHBondContact ND2-OE1 3.29Å; N52-Q124 PolarHBondContact OD1-NE2 3.2Å
53D98.7Very high97.9Very high4 Ų428.1 Ų28.12%0.02116%0.157CC..  trans-69.697.8174.1-172.54.2000110.7I50 L51 F55 G56 A57 L58 S59I50-D53 HydrophobicContact CG2-CB 3.8Å; L51-D53 VanDerWaalsContact C-N 3.35Å; L51-D53 PolarHBondContact O-N 2.94Å; D53-F55 VanDerWaalsContact C-N 3.29Å; D53-F55 PolarHBondContact O-N 3.48Å; D53-G56 WeakPolarHBondContact OD1-CA 3.49Å; D53-G56 PolarHBondContact OD1-N 2.98Å; D53-G56 VanDerWaalsContact OD1-N 3.16Å; D53-G56 WeakPolarHBondContact OD2-CA 3.16Å; D53-A57 PolarHBondContact OD1-N 2.97Å; D53-A57 PolarHBondContact OD2-N 3.23Å; D53-L58 PolarHBondContact OD2-N 3.17Å; D53-L58 VanDerWaalsContact OD2-N 3.14Å; D53-S59 WeakPolarHBondContact OD2-CB 3.41Å; D53-S59 PolarHBondContact OD2-N 3.47Å; D53-S59 PolarHBondContact OD2-OG 3.17Å
54A98Very high98.1Very high41 Ų4130 Ų3034%0.33917%0.166SC..THydrogen-bonded Turntrans-58.5-37.8-162.600000114.1N52 S76N52-A54 PolarHBondContact O-N 2.88Å; A54-S76 WeakPolarHBondContact O-CA 3.33Å; A54-S76 VanDerWaalsContact O-CB 3.29Å; A54-S76 WeakPolarHBondContact O-CB 3.3Å; A54-S76 PolarHBondContact O-OG 2.84Å
55F98.4Very high98.1Very high25 Ų2532.1 Ų32.111%0.1118%0.175CC..THydrogen-bonded Turntrans-135.318.2-179.5-52.8-80000112.4R15 F16 A27 D53 A79 N83R15-F55 HydrophobicContact CB-CD1 4.36Å; R15-F55 HydrophobicContact CB-CE1 4.16Å; R15-F55 HydrophobicContact CB-CZ 4.45Å; R15-F55 HydrophobicContact CG-CE1 4.48Å; R15-F55 HydrophobicContact CG-CE2 4.38Å; R15-F55 HydrophobicContact CG-CZ 4.35Å; R15-F55 VanDerWaalsContact CZ-CZ 3.49Å; F16-F55 HydrophobicContact CB-CD1 4.37Å; F16-F55 HydrophobicContact CB-CE1 4.46Å; A27-F55 HydrophobicContact CB-CB 4.24Å; A27-F55 WeakPolarHBondContact O-CD2 3.24Å; D53-F55 VanDerWaalsContact C-N 3.29Å; D53-F55 PolarHBondContact O-N 3.48Å; F55-A79 HydrophobicContact CB-CB 4.09Å; F55-A79 HydrophobicContact CD1-CB 3.74Å; F55-A79 HydrophobicContact CG-CB 4.4Å; F55-N83 PolarHBondContact O-ND2 2.89Å
56G98.6Very high98.3Very high0 Ų030.1 Ų30.10%017%0.171CC..SBendtrans81.217.1174.400000115.4D53 S59 C60 T80D53-G56 WeakPolarHBondContact OD1-CA 3.49Å; D53-G56 PolarHBondContact OD1-N 2.98Å; D53-G56 VanDerWaalsContact OD1-N 3.16Å; D53-G56 WeakPolarHBondContact OD2-CA 3.16Å; G56-S59 PolarHBondContact O-N 3.42Å; G56-C60 WeakPolarHBondContact O-CB 3.48Å; G56-C60 PolarHBondContact O-N 3.32Å; G56-C60 PolarHBondContact O-SG 3.05Å; G56-T80 WeakPolarHBondContact CA-OG1 3.41Å; G56-T80 PolarHBondContact N-OG1 2.85Å
57A98.5Very high98.5Very high0 Ų027.7 Ų27.70%015%0.146CC..Hα-helixtrans-62.7-48.9-176.400000111.3F8 L13 W28 D53 A61F8-A57 HydrophobicContact CD1-CB 4.42Å; F8-A57 HydrophobicContact CE1-CB 3.89Å; F8-A57 WeakPolarHBondContact CE1-O 3.42Å; F8-A57 HydrophobicContact CZ-CB 4.07Å; L13-A57 HydrophobicContact CD1-CB 3.7Å; W28-A57 HydrophobicContact CB-CB 3.76Å; D53-A57 PolarHBondContact OD1-N 2.97Å; D53-A57 PolarHBondContact OD2-N 3.23Å; A57-A61 WeakPolarHBondContact O-CB 3.47Å; A57-A61 PolarHBondContact O-N 2.69Å; A57-A61 VanDerWaalsContact O-N 3.12Å
58L98.7Very high98.5Very high0 Ų029 Ų290%015%0.147CC..Hα-helixtrans-67.9-39.9177.2-62.8177000111F8 D32 L35 L36 I50 D53 C60 A61 L62 L111 K113F8-L58 HydrophobicContact CZ-CD2 4.49Å; D32-L58 HydrophobicContact CB-CD2 4.04Å; D32-L58 HydrophobicContact CB-CG 4.37Å; D32-L58 WeakPolarHBondContact O-CD2 3.38Å; L35-L58 HydrophobicContact CB-CD2 4.33Å; L35-L58 HydrophobicContact CD1-CD1 3.99Å; L36-L58 HydrophobicContact CD1-CD2 4.18Å; L36-L58 HydrophobicContact CD2-CD2 3.88Å; L36-L58 HydrophobicContact CG-CD2 3.63Å; I50-L58 HydrophobicContact CD1-CB 4.06Å; I50-L58 HydrophobicContact CG2-CB 3.7Å; I50-L58 HydrophobicContact CG2-CD1 3.75Å; I50-L58 HydrophobicContact CG2-CG 4.38Å; D53-L58 PolarHBondContact OD2-N 3.17Å; D53-L58 VanDerWaalsContact OD2-N 3.14Å; L58-C60 PolarHBondContact O-N 3Å; L58-A61 PolarHBondContact O-N 2.71Å; L58-L62 WeakPolarHBondContact O-CB 3.41Å; L58-L62 PolarHBondContact O-N 3.42Å; L58-L111 HydrophobicContact CD1-CB 4.45Å; L58-L111 HydrophobicContact CD1-CD1 4.45Å; L58-K113 HydrophobicContact CD1-CD 4.2Å; L58-K113 HydrophobicContact CD1-CG 4.17Å
59S98.7Very high98.5Very high0 Ų029.5 Ų29.50%015%0.15CC..Hα-helixtrans-62.5-42.4179.8-54.40000111.8D53 G56 A63 S69D53-S59 WeakPolarHBondContact OD2-CB 3.41Å; D53-S59 PolarHBondContact OD2-N 3.47Å; D53-S59 PolarHBondContact OD2-OG 3.17Å; G56-S59 PolarHBondContact O-N 3.42Å; S59-A63 WeakPolarHBondContact O-CA 3.34Å; S59-A63 PolarHBondContact O-N 3.41Å; S59-A63 VanDerWaalsContact O-N 3.07Å; S59-S69 PolarHBondContact OG-OG 3.25Å
60C98.6Very high98.5Very high5 Ų529.6 Ų29.63%0.03415%0.15CC..Hα-helixtrans-65.6-46.9174.1-67.70000111.2L11 L13 G56 L58 L62 A63 L84 I89L11-C60 HydrophobicContact CD1-CB 3.94Å; L11-C60 HydrophobicContact CD2-CB 4.5Å; L13-C60 HydrophobicContact CD2-CB 4.24Å; G56-C60 WeakPolarHBondContact O-CB 3.48Å; G56-C60 PolarHBondContact O-N 3.32Å; G56-C60 PolarHBondContact O-SG 3.05Å; L58-C60 PolarHBondContact O-N 3Å; C60-L62 PolarHBondContact O-N 2.88Å; C60-A63 WeakPolarHBondContact O-CB 3.38Å; C60-A63 PolarHBondContact O-N 3.42Å; C60-L84 HydrophobicContact CB-CD2 4.48Å; C60-I89 HydrophobicContact CB-CD1 4.24Å
61A98.1Very high98.5Very high35 Ų3530.3 Ų30.329%0.28916%0.158SC..Hα-helixtrans-64.9-25.7-178.600000113.8F8 L11 L36 A57 L58F8-A61 HydrophobicContact CE1-CB 4.08Å; L11-A61 HydrophobicContact CD1-CB 3.91Å; L36-A61 HydrophobicContact CD1-CB 3.46Å; L36-A61 VanDerWaalsContact CD1-CB 3.46Å; L36-A61 HydrophobicContact CD2-CB 4.01Å; L36-A61 HydrophobicContact CG-CB 4.41Å; A57-A61 WeakPolarHBondContact O-CB 3.47Å; A57-A61 PolarHBondContact O-N 2.69Å; A57-A61 VanDerWaalsContact O-N 3.12Å; L58-A61 PolarHBondContact O-N 2.71Å
62L98.2Very high98.5Very high10 Ų1034.5 Ų34.55%0.05218%0.18CC..THydrogen-bonded Turntrans-110.112.9-178.7-64.4171.7000113L36 L39 I44 V48 I50 L58 C60 E64 H65 P67 L111L36-L62 HydrophobicContact CD2-CD1 3.85Å; L36-L62 HydrophobicContact CD2-CD2 4.03Å; L36-L62 HydrophobicContact CD2-CG 3.75Å; L39-L62 HydrophobicContact CD1-CD1 4.29Å; L39-L62 HydrophobicContact CD1-CD2 4.38Å; I44-L62 HydrophobicContact CD1-CD2 3.84Å; V48-L62 HydrophobicContact CG1-CD1 4.23Å; I50-L62 HydrophobicContact CD1-CB 4.37Å; I50-L62 HydrophobicContact CD1-CD1 4Å; L58-L62 WeakPolarHBondContact O-CB 3.41Å; L58-L62 PolarHBondContact O-N 3.42Å; C60-L62 PolarHBondContact O-N 2.88Å; L62-E64 PolarHBondContact O-N 3.49Å; L62-E64 VanDerWaalsContact O-N 3.13Å; L62-H65 WeakPolarHBondContact O-CB 3.31Å; L62-H65 PolarHBondContact O-N 2.89Å; L62-P67 WeakPolarHBondContact O-CD 3.31Å; L62-L111 HydrophobicContact CD1-CD1 3.63Å
63A98.4Very high98.5Very high6 Ų635.5 Ų35.55%0.0519%0.19CC..G310 helixtrans-57.1-32.2-17300000113.5S59 C60 H65 K66 L84 I89S59-A63 WeakPolarHBondContact O-CA 3.34Å; S59-A63 PolarHBondContact O-N 3.41Å; S59-A63 VanDerWaalsContact O-N 3.07Å; C60-A63 WeakPolarHBondContact O-CB 3.38Å; C60-A63 PolarHBondContact O-N 3.42Å; A63-H65 PolarHBondContact O-N 3.01Å; A63-K66 WeakPolarHBondContact O-CA 3.09Å; A63-K66 PolarHBondContact O-N 3.42Å; A63-L84 HydrophobicContact CB-CD2 4.43Å; A63-I89 HydrophobicContact CB-CD1 4.26Å; A63-I89 HydrophobicContact CB-CG2 3.57Å
64E97.4Very high98.5Very high184 Ų18442.7 Ų42.786%0.8622%0.218SC*.G310 helixtrans-60-27.6175.8-63.6-168.216600113L62 K66L62-E64 PolarHBondContact O-N 3.49Å; L62-E64 VanDerWaalsContact O-N 3.13Å; E64-K66 VanDerWaalsContact C-N 3.26Å; E64-K66 PolarHBondContact O-N 2.79Å
65H98.2Very high98.5Very high78 Ų7844.9 Ų44.936%0.36122%0.223SC..G310 helixtrans-875.6176-56.6-70.9000113.5I44 V48 L62 A63I44-H65 WeakPolarHBondContact CD1-NE2 3.36Å; I44-H65 HydrophobicContact CG2-CB 4.32Å; V48-H65 HydrophobicContact CG2-CB 3.9Å; L62-H65 WeakPolarHBondContact O-CB 3.31Å; L62-H65 PolarHBondContact O-N 2.89Å; A63-H65 PolarHBondContact O-N 3.01Å
66K98.5Very high98.5Very high127 Ų12744.9 Ų44.955%0.55223%0.226SC*.  trans48.857.5179.9-57.6179169.8142.60114.4A63 E64 S93 K95A63-K66 WeakPolarHBondContact O-CA 3.09Å; A63-K66 PolarHBondContact O-N 3.42Å; E64-K66 VanDerWaalsContact C-N 3.26Å; E64-K66 PolarHBondContact O-N 2.79Å; K66-S93 CarbonylContact C-O 3.31Å; K66-S93 VanDerWaalsContact C-O 3.31Å; K66-S93 WeakPolarHBondContact CA-O 3.03Å; K66-K95 VanDerWaalsContact CB-NZ 3.3Å; K66-K95 PolarHBondContact O-NZ 3.37Å
67P98.9Very high98.5Very high0 Ų046.9 Ų46.90%024%0.235CC..  trans-67.7160.8-167.130.6-35.6000112.6V48 I50 L62 V94 K95V48-P67 HydrophobicContact CB-CB 4.19Å; V48-P67 HydrophobicContact CG1-CB 4.18Å; V48-P67 WeakPolarHBondContact O-CA 3.09Å; I50-P67 HydrophobicContact CD1-CB 3.63Å; I50-P67 HydrophobicContact CD1-CG 4.01Å; I50-P67 HydrophobicContact CG1-CB 4.12Å; L62-P67 WeakPolarHBondContact O-CD 3.31Å; P67-V94 HydrophobicContact CG-CG2 4.19Å; P67-K95 PolarHBondContact O-N 2.75Å
68Y98.9Very high98.5Very high64 Ų6449.4 Ų49.425%0.25125%0.248SC..EExtended strand (participates in β ladder)trans-98115.1165.8-64.2-96.3000108.4P47 V48 L49 I50 K95 L97 P104P47-Y68 HydrophobicContact CB-CD2 4.33Å; P47-Y68 HydrophobicContact CB-CE2 4.14Å; V48-Y68 PolarHBondContact O-N 2.89Å; L49-Y68 HydrophobicContact CD2-CD2 3.94Å; L49-Y68 HydrophobicContact CD2-CG 4.13Å; I50-Y68 PolarHBondContact N-O 3.38Å; Y68-K95 CarbonylContact C-O 3.53Å; Y68-K95 VanDerWaalsContact CA-O 3.3Å; Y68-K95 WeakPolarHBondContact CA-O 3.17Å; Y68-K95 HydrophobicContact CD1-CB 3.69Å; Y68-K95 HydrophobicContact CD1-CD 4.19Å; Y68-K95 HydrophobicContact CD1-CG 4.34Å; Y68-K95 HydrophobicContact CE1-CB 3.95Å; Y68-K95 HydrophobicContact CE1-CD 3.94Å; Y68-K95 HydrophobicContact CE1-CG 4.14Å; Y68-K95 HydrophobicContact CG-CB 4.45Å; Y68-L97 HydrophobicContact CD1-CD1 3.72Å; Y68-L97 HydrophobicContact CD1-CG 4.25Å; Y68-L97 HydrophobicContact CE1-CD1 4.49Å; Y68-L97 HydrophobicContact CG-CD1 4.41Å; Y68-P104 HydrophobicContact CD1-CG 3.65Å; Y68-P104 HydrophobicContact CD2-CB 4.39Å; Y68-P104 HydrophobicContact CD2-CG 3.61Å; Y68-P104 HydrophobicContact CE1-CG 3.66Å; Y68-P104 HydrophobicContact CE2-CB 4.1Å; Y68-P104 HydrophobicContact CE2-CG 3.62Å; Y68-P104 HydrophobicContact CG-CG 3.62Å
69S98.9Very high98.5Very high10 Ų1049.4 Ų49.47%0.0725%0.249CC..EExtended strand (participates in β ladder)trans-91.5110173.7-165.50000108.7I50 S59 K95 F96 L97I50-S69 CarbonylContact O-C 3.58Å; I50-S69 WeakPolarHBondContact O-CA 3.45Å; S59-S69 PolarHBondContact OG-OG 3.25Å; S69-K95 PolarHBondContact N-O 3.12Å; S69-F96 WeakPolarHBondContact O-CA 3.28Å; S69-L97 PolarHBondContact O-N 3.24Å
70I98.9Very high98.5Very high2 Ų249.4 Ų49.41%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-109.4129.2-171.5-54.8174.8000108.8L49 I50 L51 N52 L97 Y103L49-I70 HydrophobicContact CB-CD1 4.05Å; L49-I70 HydrophobicContact CD1-CD1 4.16Å; L49-I70 HydrophobicContact CD2-CD1 4.23Å; L49-I70 HydrophobicContact CG-CD1 4.36Å; I50-I70 PolarHBondContact O-N 3.39Å; L51-I70 CarbonylContact C-O 3.58Å; L51-I70 VanDerWaalsContact CA-O 3.3Å; L51-I70 WeakPolarHBondContact CA-O 3.37Å; L51-I70 HydrophobicContact CD1-CB 4.5Å; L51-I70 HydrophobicContact CD1-CD1 4.26Å; L51-I70 HydrophobicContact CG-CB 4.13Å; L51-I70 HydrophobicContact CG-CG2 4.43Å; N52-I70 PolarHBondContact N-O 3.11Å; I70-L97 WeakPolarHBondContact CA-O 3.38Å; I70-L97 HydrophobicContact CG1-CB 4.17Å; I70-L97 HydrophobicContact CG1-CD1 4.34Å; I70-Y103 HydrophobicContact CD1-CD1 3.96Å; I70-Y103 HydrophobicContact CD1-CD2 4.13Å; I70-Y103 HydrophobicContact CD1-CE1 4.13Å; I70-Y103 HydrophobicContact CD1-CE2 4.27Å; I70-Y103 HydrophobicContact CD1-CG 3.98Å; I70-Y103 HydrophobicContact CG2-CD1 4.38Å; I70-Y103 HydrophobicContact CG2-CE1 3.57Å; I70-Y103 HydrophobicContact CG2-CE2 4.46Å
71G98.7Very high98.5Very high16 Ų1652.6 Ų52.617%0.16526%0.26CS..EExtended strand (participates in β ladder)trans-172.9-174179.900000114.5L97 D98 S99G71-L97 PolarHBondContact N-O 3.38Å; G71-L97 VanDerWaalsContact N-O 3.09Å; G71-D98 CarbonylContact O-C 3.56Å; G71-D98 WeakPolarHBondContact O-CA 3.44Å; G71-S99 PolarHBondContact O-N 2.83Å
72D98.5Very high98.5Very high87 Ų8753.6 Ų53.647%0.46526%0.259SS..SBendtrans-124.641.9179.7-173.159.9000109.9N206D72-N206 VanDerWaalsContact OD2-CB 3.25Å; D72-N206 WeakPolarHBondContact OD2-CB 3.38Å; D72-N206 PolarHBondContact OD2-ND2 2.77Å
73S98.5Very high98.5Very high51 Ų5153.1 Ų53.136%0.35726%0.256SS..  trans-149.1102.1-172.7174.70000111.4I75 S76 E77S73-I75 PolarHBondContact O-N 2.9Å; S73-S76 WeakPolarHBondContact CB-OG 3.35Å; S73-S76 WeakPolarHBondContact O-CB 3.45Å; S73-S76 PolarHBondContact O-N 2.75Å; S73-S76 WeakPolarHBondContact OG-CB 3.4Å; S73-S76 PolarHBondContact OG-N 3.12Å; S73-S76 PolarHBondContact OG-OG 2.98Å; S73-E77 PolarHBondContact O-N 2.8Å
74Y98.4Very high98.5Very high156 Ų15652.9 Ų52.961%0.61225%0.254SS*.Hα-helixtrans-65.2-28.1172.2-173.4-125000112.3S76 E77 L78Y74-S76 PolarHBondContact O-N 3.18Å; Y74-E77 HydrophobicContact CD2-CB 4.17Å; Y74-E77 HydrophobicContact CD2-CG 4.43Å; Y74-E77 HydrophobicContact CE2-CG 4.37Å; Y74-E77 PolarHBondContact O-N 2.97Å; Y74-L78 HydrophobicContact CD1-CD1 4.08Å; Y74-L78 HydrophobicContact CD1-CG 4.36Å; Y74-L78 HydrophobicContact CE1-CD1 3.86Å; Y74-L78 HydrophobicContact CE1-CD2 4.23Å; Y74-L78 HydrophobicContact CE1-CG 4.05Å; Y74-L78 HydrophobicContact CE2-CD2 4.48Å; Y74-L78 HydrophobicContact CE2-CG 4.45Å; Y74-L78 WeakPolarHBondContact O-CG 3.22Å; Y74-L78 PolarHBondContact O-N 3.47Å
75I98.1Very high98.6Very high87 Ų8750 Ų5045%0.44624%0.235SC..Hα-helixtrans-60.1-38.2170.5-65.4-64.4000111F16 S73 L78 A79F16-I75 HydrophobicContact CB-CG2 4.32Å; F16-I75 HydrophobicContact CD1-CD1 4.3Å; F16-I75 HydrophobicContact CD1-CG2 4.1Å; F16-I75 HydrophobicContact CE1-CD1 4.4Å; S73-I75 PolarHBondContact O-N 2.9Å; I75-L78 PolarHBondContact O-N 2.7Å; I75-A79 VanDerWaalsContact O-CB 3.28Å; I75-A79 WeakPolarHBondContact O-CB 3.43Å; I75-A79 PolarHBondContact O-N 3.36Å
76S98.5Very high98.5Very high24 Ų2449.4 Ų49.417%0.16824%0.235CC..Hα-helixtrans-70-36.3178.1-62.80000111.6A54 S73 Y74 T80A54-S76 WeakPolarHBondContact O-CA 3.33Å; A54-S76 VanDerWaalsContact O-CB 3.29Å; A54-S76 WeakPolarHBondContact O-CB 3.3Å; A54-S76 PolarHBondContact O-OG 2.84Å; S73-S76 WeakPolarHBondContact CB-OG 3.35Å; S73-S76 WeakPolarHBondContact O-CB 3.45Å; S73-S76 PolarHBondContact O-N 2.75Å; S73-S76 WeakPolarHBondContact OG-CB 3.4Å; S73-S76 PolarHBondContact OG-N 3.12Å; S73-S76 PolarHBondContact OG-OG 2.98Å; Y74-S76 PolarHBondContact O-N 3.18Å; S76-T80 VanDerWaalsContact O-CB 3.31Å; S76-T80 WeakPolarHBondContact O-CB 3.31Å; S76-T80 PolarHBondContact O-N 3.14Å; S76-T80 PolarHBondContact O-OG1 3.5Å
77E98.7Very high98.5Very high43 Ų4345.4 Ų45.420%0.20122%0.219CC..Hα-helixtrans-61-51.4170.1173.3171.3173.700111.5S73 Y74 A79 T80 R81 F96S73-E77 PolarHBondContact O-N 2.8Å; Y74-E77 HydrophobicContact CD2-CB 4.17Å; Y74-E77 HydrophobicContact CD2-CG 4.43Å; Y74-E77 HydrophobicContact CE2-CG 4.37Å; Y74-E77 PolarHBondContact O-N 2.97Å; E77-A79 VanDerWaalsContact C-N 3.33Å; E77-A79 PolarHBondContact O-N 3.23Å; E77-T80 WeakPolarHBondContact O-CB 3.37Å; E77-T80 PolarHBondContact O-N 3.27Å; E77-T80 VanDerWaalsContact O-N 3.11Å; E77-R81 HydrophobicContact CG-CG 4.44Å; E77-R81 WeakPolarHBondContact O-CG 3.36Å; E77-R81 PolarHBondContact O-N 3.38Å; E77-R81 IonicContact OE1-CZ 3.83Å; E77-R81 VanDerWaalsContact OE1-CZ 3.25Å; E77-R81 IonicContact OE1-NE 2.69Å; E77-R81 PolarHBondContact OE1-NE 2.67Å; E77-R81 IonicContact OE1-NH2 2.71Å; E77-R81 PolarHBondContact OE1-NH2 3.09Å; E77-F96 HydrophobicContact CB-CD1 3.85Å; E77-F96 HydrophobicContact CB-CE1 4.06Å; E77-F96 HydrophobicContact CB-CG 4.26Å; E77-F96 HydrophobicContact CG-CB 4.4Å; E77-F96 HydrophobicContact CG-CD1 3.71Å; E77-F96 HydrophobicContact CG-CD2 3.85Å; E77-F96 HydrophobicContact CG-CE1 3.87Å; E77-F96 HydrophobicContact CG-CE2 4Å; E77-F96 HydrophobicContact CG-CG 3.7Å; E77-F96 HydrophobicContact CG-CZ 4Å
78L98.5Very high98.5Very high52 Ų5248.9 Ų48.927%0.27226%0.255SS..Hα-helixtrans-57.9-45.4178.4-69.7175.3000112F16 Y74 I75 T80 R81 E82F16-L78 HydrophobicContact CE1-CB 4.47Å; F16-L78 HydrophobicContact CE1-CD1 4.34Å; F16-L78 HydrophobicContact CE2-CB 4.45Å; F16-L78 HydrophobicContact CZ-CB 4.32Å; F16-L78 HydrophobicContact CZ-CD1 4.44Å; Y74-L78 HydrophobicContact CD1-CD1 4.08Å; Y74-L78 HydrophobicContact CD1-CG 4.36Å; Y74-L78 HydrophobicContact CE1-CD1 3.86Å; Y74-L78 HydrophobicContact CE1-CD2 4.23Å; Y74-L78 HydrophobicContact CE1-CG 4.05Å; Y74-L78 HydrophobicContact CE2-CD2 4.48Å; Y74-L78 HydrophobicContact CE2-CG 4.45Å; Y74-L78 WeakPolarHBondContact O-CG 3.22Å; Y74-L78 PolarHBondContact O-N 3.47Å; I75-L78 PolarHBondContact O-N 2.7Å; L78-T80 VanDerWaalsContact C-N 3.33Å; L78-T80 PolarHBondContact O-N 3.31Å; L78-R81 PolarHBondContact O-N 2.98Å; L78-E82 PolarHBondContact O-N 3Å
79A98.4Very high98.5Very high1 Ų147.7 Ų47.71%0.00825%0.253CS..Hα-helixtrans-60.3-42.6175.500000112.2F16 F55 I75 E77 E82 N83F16-A79 HydrophobicContact CB-CB 3.61Å; F16-A79 HydrophobicContact CG-CB 4.36Å; F55-A79 HydrophobicContact CB-CB 4.09Å; F55-A79 HydrophobicContact CD1-CB 3.74Å; F55-A79 HydrophobicContact CG-CB 4.4Å; I75-A79 VanDerWaalsContact O-CB 3.28Å; I75-A79 WeakPolarHBondContact O-CB 3.43Å; I75-A79 PolarHBondContact O-N 3.36Å; E77-A79 VanDerWaalsContact C-N 3.33Å; E77-A79 PolarHBondContact O-N 3.23Å; A79-E82 PolarHBondContact O-N 2.91Å; A79-N83 WeakPolarHBondContact O-CB 3.41Å; A79-N83 PolarHBondContact O-N 3.12Å; A79-N83 PolarHBondContact O-ND2 2.81Å
80T98.8Very high98.4Very high0 Ų052.1 Ų52.10%028%0.276CS..Hα-helixtrans-64.5-46.1178.8-58.10000110.6G56 S76 E77 L78 E82 N83 L84 F96G56-T80 WeakPolarHBondContact CA-OG1 3.41Å; G56-T80 PolarHBondContact N-OG1 2.85Å; S76-T80 VanDerWaalsContact O-CB 3.31Å; S76-T80 WeakPolarHBondContact O-CB 3.31Å; S76-T80 PolarHBondContact O-N 3.14Å; S76-T80 PolarHBondContact O-OG1 3.5Å; E77-T80 WeakPolarHBondContact O-CB 3.37Å; E77-T80 PolarHBondContact O-N 3.27Å; E77-T80 VanDerWaalsContact O-N 3.11Å; L78-T80 VanDerWaalsContact C-N 3.33Å; L78-T80 PolarHBondContact O-N 3.31Å; T80-E82 VanDerWaalsContact C-N 3.32Å; T80-E82 PolarHBondContact O-N 2.8Å; T80-N83 PolarHBondContact O-N 3.01Å; T80-L84 HydrophobicContact CG2-CD1 4.08Å; T80-L84 HydrophobicContact CG2-CG 4.33Å; T80-L84 VanDerWaalsContact O-CG 3.28Å; T80-L84 WeakPolarHBondContact O-CG 3.43Å; T80-L84 PolarHBondContact O-N 3.04Å; T80-F96 HydrophobicContact CG2-CE1 3.76Å; T80-F96 HydrophobicContact CG2-CZ 3.71Å
81R98.7Very high98.4Very high71 Ų7154.6 Ų54.627%0.26829%0.287SS..Hα-helixtrans-59.5-42.4176.9-69.8177.8-179.5-75.7-1.3112E77 L78 L84 R85 E91 F96E77-R81 HydrophobicContact CG-CG 4.44Å; E77-R81 WeakPolarHBondContact O-CG 3.36Å; E77-R81 PolarHBondContact O-N 3.38Å; E77-R81 IonicContact OE1-CZ 3.83Å; E77-R81 VanDerWaalsContact OE1-CZ 3.25Å; E77-R81 IonicContact OE1-NE 2.69Å; E77-R81 PolarHBondContact OE1-NE 2.67Å; E77-R81 IonicContact OE1-NH2 2.71Å; E77-R81 PolarHBondContact OE1-NH2 3.09Å; L78-R81 PolarHBondContact O-N 2.98Å; R81-L84 PolarHBondContact O-N 3.07Å; R81-R85 WeakPolarHBondContact O-CG 3.41Å; R81-R85 PolarHBondContact O-N 2.97Å; R81-E91 HydrophobicContact CB-CG 4.5Å; R81-E91 VanDerWaalsContact CD-OE2 3.23Å; R81-E91 WeakPolarHBondContact CD-OE2 3.48Å; R81-E91 VanDerWaalsContact CG-OE2 3.24Å; R81-E91 WeakPolarHBondContact CG-OE2 3.45Å; R81-E91 IonicContact CZ-OE2 3.13Å; R81-E91 IonicContact NE-OE2 3.05Å; R81-E91 IonicContact NH1-OE2 2.69Å; R81-E91 PolarHBondContact NH1-OE2 2.85Å; R81-F96 HydrophobicContact CG-CE2 3.98Å; R81-F96 HydrophobicContact CG-CZ 4Å
82E98.3Very high98.4Very high57 Ų5757.8 Ų57.827%0.26631%0.307SS..Hα-helixtrans-59.5-48.9173.6-171.461.7-13400111.7L78 A79 T80 L84 R85 L86L78-E82 PolarHBondContact O-N 3Å; A79-E82 PolarHBondContact O-N 2.91Å; T80-E82 VanDerWaalsContact C-N 3.32Å; T80-E82 PolarHBondContact O-N 2.8Å; E82-L84 VanDerWaalsContact C-N 3.34Å; E82-L84 PolarHBondContact O-N 3.35Å; E82-R85 PolarHBondContact O-N 3.03Å; E82-R85 IonicContact OE1-NH1 3.66Å; E82-R85 PolarHBondContact OE1-NH1 3.03Å; E82-R85 IonicContact OE2-CZ 3.25Å; E82-R85 IonicContact OE2-NH1 2.9Å; E82-R85 PolarHBondContact OE2-NH1 3.44Å; E82-R85 IonicContact OE2-NH2 2.73Å; E82-R85 PolarHBondContact OE2-NH2 2.75Å; E82-L86 HydrophobicContact CG-CD1 4.26Å; E82-L86 WeakPolarHBondContact O-CG 3.39Å; E82-L86 PolarHBondContact O-N 3.45Å
83N98.5Very high98.4Very high0 Ų054.7 Ų54.70%029%0.292CS..Hα-helixtrans-66.7-33.4-179.9-76.7-34.4000113.3L13 Q14 F55 A79 T80 L86 N87L13-N83 WeakPolarHBondContact CA-OD1 3.45Å; L13-N83 HydrophobicContact CD2-CB 3.79Å; Q14-N83 PolarHBondContact N-OD1 3.32Å; Q14-N83 PolarHBondContact O-ND2 3.5Å; F55-N83 PolarHBondContact O-ND2 2.89Å; A79-N83 WeakPolarHBondContact O-CB 3.41Å; A79-N83 PolarHBondContact O-N 3.12Å; A79-N83 PolarHBondContact O-ND2 2.81Å; T80-N83 PolarHBondContact O-N 3.01Å; N83-L86 PolarHBondContact O-N 2.87Å; N83-N87 PolarHBondContact O-N 2.8Å; N83-N87 PolarHBondContact O-ND2 3.38Å
84L98.7Very high98.4Very high0 Ų052.5 Ų52.50%028%0.277CS..Hα-helixtrans-61.4-48.9171.1-69.7168.8000110.3C60 A63 T80 R81 E82 L86 N87 G88 I89 V94C60-L84 HydrophobicContact CB-CD2 4.48Å; A63-L84 HydrophobicContact CB-CD2 4.43Å; T80-L84 HydrophobicContact CG2-CD1 4.08Å; T80-L84 HydrophobicContact CG2-CG 4.33Å; T80-L84 VanDerWaalsContact O-CG 3.28Å; T80-L84 WeakPolarHBondContact O-CG 3.43Å; T80-L84 PolarHBondContact O-N 3.04Å; R81-L84 PolarHBondContact O-N 3.07Å; E82-L84 VanDerWaalsContact C-N 3.34Å; E82-L84 PolarHBondContact O-N 3.35Å; L84-L86 PolarHBondContact O-N 3.39Å; L84-N87 CarbonylContact O-C 3.49Å; L84-N87 PolarHBondContact O-N 3.1Å; L84-N87 VanDerWaalsContact O-N 3.13Å; L84-G88 PolarHBondContact O-N 3.43Å; L84-I89 CarbonylContact C-O 3.52Å; L84-I89 HydrophobicContact CB-CB 4.26Å; L84-I89 HydrophobicContact CD2-CB 3.82Å; L84-I89 HydrophobicContact CD2-CD1 4.16Å; L84-I89 HydrophobicContact CD2-CG2 3.58Å; L84-I89 PolarHBondContact O-N 2.85Å; L84-V94 HydrophobicContact CD1-CB 4.03Å; L84-V94 HydrophobicContact CD1-CG2 3.71Å; L84-V94 HydrophobicContact CD2-CG2 3.92Å; L84-V94 HydrophobicContact CG-CG2 4.42Å
85R98.3Very high98.4Very high123 Ų12348.5 Ų48.546%0.46426%0.262SS..Hα-helixtrans-61-42.7177.7-74.9-173.6-82.897-1.9112.8R81 E82 N87 G88 E91R81-R85 WeakPolarHBondContact O-CG 3.41Å; R81-R85 PolarHBondContact O-N 2.97Å; E82-R85 PolarHBondContact O-N 3.03Å; E82-R85 IonicContact OE1-NH1 3.66Å; E82-R85 PolarHBondContact OE1-NH1 3.03Å; E82-R85 IonicContact OE2-CZ 3.25Å; E82-R85 IonicContact OE2-NH1 2.9Å; E82-R85 PolarHBondContact OE2-NH1 3.44Å; E82-R85 IonicContact OE2-NH2 2.73Å; E82-R85 PolarHBondContact OE2-NH2 2.75Å; R85-N87 PolarHBondContact O-N 3.4Å; R85-G88 PolarHBondContact O-N 3.38Å; R85-G88 VanDerWaalsContact O-N 3.09Å; R85-E91 WeakPolarHBondContact CD-OE1 3.43Å; R85-E91 HydrophobicContact CG-CG 4.26Å; R85-E91 IonicContact NE-OE1 2.71Å; R85-E91 PolarHBondContact NE-OE1 2.91Å
86L97.5Very high98.4Very high67 Ų6746.2 Ų46.235%0.35125%0.249SC..Hα-helixtrans-60.9-26.2177.1-73.7175.1000113.3Q14 E82 N83 L84Q14-L86 HydrophobicContact CB-CD1 4.18Å; Q14-L86 HydrophobicContact CG-CD1 3.78Å; E82-L86 HydrophobicContact CG-CD1 4.26Å; E82-L86 WeakPolarHBondContact O-CG 3.39Å; E82-L86 PolarHBondContact O-N 3.45Å; N83-L86 PolarHBondContact O-N 2.87Å; L84-L86 PolarHBondContact O-N 3.39Å
87N98.1Very high98.5Very high42 Ų4247.3 Ų47.323%0.22525%0.253CS..THydrogen-bonded Turntrans-102.29.5178.6-66.6-78.3000113.1L11 T12 N83 L84 R85 I89L11-N87 WeakPolarHBondContact CA-OD1 3.46Å; L11-N87 HydrophobicContact CD2-CB 4.04Å; L11-N87 WeakPolarHBondContact CD2-OD1 3.43Å; T12-N87 PolarHBondContact N-OD1 3.41Å; T12-N87 PolarHBondContact O-ND2 3.21Å; N83-N87 PolarHBondContact O-N 2.8Å; N83-N87 PolarHBondContact O-ND2 3.38Å; L84-N87 CarbonylContact O-C 3.49Å; L84-N87 PolarHBondContact O-N 3.1Å; L84-N87 VanDerWaalsContact O-N 3.13Å; R85-N87 PolarHBondContact O-N 3.4Å; N87-I89 HydrophobicContact CB-CD1 3.89Å; N87-I89 HydrophobicContact CB-CG1 3.99Å; N87-I89 PolarHBondContact O-N 3.2Å
88G98.1Very high98.5Very high74 Ų7450.5 Ų50.576%0.76327%0.272SS*.THydrogen-bonded Turntrans6523.2-17900000114L84 R85L84-G88 PolarHBondContact O-N 3.43Å; R85-G88 PolarHBondContact O-N 3.38Å; R85-G88 VanDerWaalsContact O-N 3.09Å
89I98.6Very high98.5Very high38 Ų3848.1 Ų48.120%0.19526%0.259CS..  trans-92.6133.4179.1-53.8172.2000108.5L11 C60 A63 L84 N87 E91L11-I89 HydrophobicContact CD2-CD1 4.48Å; C60-I89 HydrophobicContact CB-CD1 4.24Å; A63-I89 HydrophobicContact CB-CD1 4.26Å; A63-I89 HydrophobicContact CB-CG2 3.57Å; L84-I89 CarbonylContact C-O 3.52Å; L84-I89 HydrophobicContact CB-CB 4.26Å; L84-I89 HydrophobicContact CD2-CB 3.82Å; L84-I89 HydrophobicContact CD2-CD1 4.16Å; L84-I89 HydrophobicContact CD2-CG2 3.58Å; L84-I89 PolarHBondContact O-N 2.85Å; N87-I89 HydrophobicContact CB-CD1 3.89Å; N87-I89 HydrophobicContact CB-CG1 3.99Å; N87-I89 PolarHBondContact O-N 3.2Å; I89-E91 PolarHBondContact O-N 3.41Å
90D98.5Very high98.5Very high103 Ų10351.9 Ų51.955%0.55128%0.282SS*.  trans-63.9127.9177.3-171.5-36.4000110.5S92 S93D90-S92 PolarHBondContact O-N 3.03Å; D90-S92 VanDerWaalsContact O-N 3.15Å; D90-S92 VanDerWaalsContact OD1-CB 3.28Å; D90-S92 WeakPolarHBondContact OD1-CB 3.34Å; D90-S92 PolarHBondContact OD1-N 2.82Å; D90-S92 PolarHBondContact OD1-OG 3.4Å; D90-S92 PolarHBondContact OD2-OG 3.49Å; D90-S93 WeakPolarHBondContact O-CB 3.35Å; D90-S93 PolarHBondContact O-N 3.04Å; D90-S93 PolarHBondContact O-OG 3.16Å
91E98.3Very high98.5Very high54 Ų5453.5 Ų53.525%0.25230%0.295SS..G310 helixtrans-56.8-28.7178.6-68-165.1-152.400113.2R81 R85 I89 S93 V94R81-E91 HydrophobicContact CB-CG 4.5Å; R81-E91 VanDerWaalsContact CD-OE2 3.23Å; R81-E91 WeakPolarHBondContact CD-OE2 3.48Å; R81-E91 VanDerWaalsContact CG-OE2 3.24Å; R81-E91 WeakPolarHBondContact CG-OE2 3.45Å; R81-E91 IonicContact CZ-OE2 3.13Å; R81-E91 IonicContact NE-OE2 3.05Å; R81-E91 IonicContact NH1-OE2 2.69Å; R81-E91 PolarHBondContact NH1-OE2 2.85Å; R85-E91 WeakPolarHBondContact CD-OE1 3.43Å; R85-E91 HydrophobicContact CG-CG 4.26Å; R85-E91 IonicContact NE-OE1 2.71Å; R85-E91 PolarHBondContact NE-OE1 2.91Å; I89-E91 PolarHBondContact O-N 3.41Å; E91-S93 PolarHBondContact O-N 3.35Å; E91-V94 PolarHBondContact O-N 3.25Å
92S98.1Very high98.5Very high83 Ų8356.8 Ų56.858%0.5832%0.318SS*.G310 helixtrans-69-10.7176.5690000114D90 V94D90-S92 PolarHBondContact O-N 3.03Å; D90-S92 VanDerWaalsContact O-N 3.15Å; D90-S92 VanDerWaalsContact OD1-CB 3.28Å; D90-S92 WeakPolarHBondContact OD1-CB 3.34Å; D90-S92 PolarHBondContact OD1-N 2.82Å; D90-S92 PolarHBondContact OD1-OG 3.4Å; D90-S92 PolarHBondContact OD2-OG 3.49Å; S92-V94 VanDerWaalsContact C-N 3.26Å; S92-V94 PolarHBondContact O-N 2.79Å
93S98.4Very high98.5Very high22 Ų2254.6 Ų54.615%0.15431%0.308CS..G310 helixtrans-66.3-30.5174.8-53.10000111.4K66 D90 E91K66-S93 CarbonylContact C-O 3.31Å; K66-S93 VanDerWaalsContact C-O 3.31Å; K66-S93 WeakPolarHBondContact CA-O 3.03Å; D90-S93 WeakPolarHBondContact O-CB 3.35Å; D90-S93 PolarHBondContact O-N 3.04Å; D90-S93 PolarHBondContact O-OG 3.16Å; E91-S93 PolarHBondContact O-N 3.35Å
94V98.8Very high98.5Very high6 Ų655.6 Ų55.64%0.03631%0.314CS..SBendtrans-109.6126.3-178.8-176.80000109.6P67 L84 E91 S92 F96P67-V94 HydrophobicContact CG-CG2 4.19Å; L84-V94 HydrophobicContact CD1-CB 4.03Å; L84-V94 HydrophobicContact CD1-CG2 3.71Å; L84-V94 HydrophobicContact CD2-CG2 3.92Å; L84-V94 HydrophobicContact CG-CG2 4.42Å; E91-V94 PolarHBondContact O-N 3.25Å; S92-V94 VanDerWaalsContact C-N 3.26Å; S92-V94 PolarHBondContact O-N 2.79Å; V94-F96 HydrophobicContact CB-CE2 4.44Å; V94-F96 HydrophobicContact CB-CZ 4.26Å; V94-F96 HydrophobicContact CG1-CD1 4.49Å; V94-F96 HydrophobicContact CG1-CE1 3.99Å; V94-F96 HydrophobicContact CG1-CE2 4.31Å; V94-F96 HydrophobicContact CG1-CZ 3.9Å
95K98.9Very high98.5Very high71 Ų7161.4 Ų61.431%0.30934%0.341SS..EExtended strand (participates in β ladder)trans-97.2127.9171.7-57.496.1-178.1-1660109.1K66 P67 Y68 S69K66-K95 VanDerWaalsContact CB-NZ 3.3Å; K66-K95 PolarHBondContact O-NZ 3.37Å; P67-K95 PolarHBondContact O-N 2.75Å; Y68-K95 CarbonylContact C-O 3.53Å; Y68-K95 VanDerWaalsContact CA-O 3.3Å; Y68-K95 WeakPolarHBondContact CA-O 3.17Å; Y68-K95 HydrophobicContact CD1-CB 3.69Å; Y68-K95 HydrophobicContact CD1-CD 4.19Å; Y68-K95 HydrophobicContact CD1-CG 4.34Å; Y68-K95 HydrophobicContact CE1-CB 3.95Å; Y68-K95 HydrophobicContact CE1-CD 3.94Å; Y68-K95 HydrophobicContact CE1-CG 4.14Å; Y68-K95 HydrophobicContact CG-CB 4.45Å; S69-K95 PolarHBondContact N-O 3.12Å
96F98.9Very high98.5Very high40 Ų4062.1 Ų62.118%0.17535%0.35CS..EExtended strand (participates in β ladder)trans-92.9135.6176.9-59-82.3000109.9S69 E77 T80 R81 V94S69-F96 WeakPolarHBondContact O-CA 3.28Å; E77-F96 HydrophobicContact CB-CD1 3.85Å; E77-F96 HydrophobicContact CB-CE1 4.06Å; E77-F96 HydrophobicContact CB-CG 4.26Å; E77-F96 HydrophobicContact CG-CB 4.4Å; E77-F96 HydrophobicContact CG-CD1 3.71Å; E77-F96 HydrophobicContact CG-CD2 3.85Å; E77-F96 HydrophobicContact CG-CE1 3.87Å; E77-F96 HydrophobicContact CG-CE2 4Å; E77-F96 HydrophobicContact CG-CG 3.7Å; E77-F96 HydrophobicContact CG-CZ 4Å; T80-F96 HydrophobicContact CG2-CE1 3.76Å; T80-F96 HydrophobicContact CG2-CZ 3.71Å; R81-F96 HydrophobicContact CG-CE2 3.98Å; R81-F96 HydrophobicContact CG-CZ 4Å; V94-F96 HydrophobicContact CB-CE2 4.44Å; V94-F96 HydrophobicContact CB-CZ 4.26Å; V94-F96 HydrophobicContact CG1-CD1 4.49Å; V94-F96 HydrophobicContact CG1-CE1 3.99Å; V94-F96 HydrophobicContact CG1-CE2 4.31Å; V94-F96 HydrophobicContact CG1-CZ 3.9Å
97L98.9Very high98.6Very high47 Ų4759 Ų5925%0.24633%0.334CS..EExtended strand (participates in β ladder)trans-134139.1174.7-64.9175.8000110Y68 S69 I70 G71 A101 P104Y68-L97 HydrophobicContact CD1-CD1 3.72Å; Y68-L97 HydrophobicContact CD1-CG 4.25Å; Y68-L97 HydrophobicContact CE1-CD1 4.49Å; Y68-L97 HydrophobicContact CG-CD1 4.41Å; S69-L97 PolarHBondContact O-N 3.24Å; I70-L97 WeakPolarHBondContact CA-O 3.38Å; I70-L97 HydrophobicContact CG1-CB 4.17Å; I70-L97 HydrophobicContact CG1-CD1 4.34Å; G71-L97 PolarHBondContact N-O 3.38Å; G71-L97 VanDerWaalsContact N-O 3.09Å; L97-A101 HydrophobicContact CB-CB 4.44Å; L97-P104 HydrophobicContact CD1-CG 4.38Å
98D98.7Very high98.6Very high110 Ų11058 Ų5859%0.58833%0.334SS*.EExtended strand (participates in β ladder)trans-65.3148.3169.3-63.9-30.8000110.5G71 T100 A101G71-D98 CarbonylContact O-C 3.56Å; G71-D98 WeakPolarHBondContact O-CA 3.44Å; D98-T100 PolarHBondContact O-N 2.75Å; D98-A101 VanDerWaalsContact O-CB 3.31Å; D98-A101 WeakPolarHBondContact O-CB 3.36Å; D98-A101 PolarHBondContact O-N 2.75Å
99S98.5Very high98.6Very high2 Ų254.6 Ų54.61%0.01430%0.298CS..THydrogen-bonded Turntrans-57.9-22.6178.2-161.70000113G71 Y103 L120 Q123 Q124G71-S99 PolarHBondContact O-N 2.83Å; S99-Y103 PolarHBondContact O-OH 2.86Å; S99-L120 WeakPolarHBondContact OG-CD1 3.28Å; S99-Q123 PolarHBondContact O-NE2 2.95Å; S99-Q123 PolarHBondContact O-OE1 2.9Å; S99-Q123 PolarHBondContact OG-OE1 3.44Å; S99-Q124 WeakPolarHBondContact OG-CG 3.4Å; S99-Q124 PolarHBondContact OG-NE2 3.3Å
100T98.5Very high98.6Very high79 Ų7952.8 Ų52.849%0.48529%0.289SS..THydrogen-bonded Turntrans-92.5-5.6178.450.30000114.4D98D98-T100 PolarHBondContact O-N 2.75Å
101A98.6Very high98.7Very high34 Ų3447.9 Ų47.928%0.28126%0.263SS..SBendtrans-71.2163.617800000111.7L97 D98 Y103L97-A101 HydrophobicContact CB-CB 4.44Å; D98-A101 VanDerWaalsContact O-CB 3.31Å; D98-A101 WeakPolarHBondContact O-CB 3.36Å; D98-A101 PolarHBondContact O-N 2.75Å; A101-Y103 VanDerWaalsContact O-CD1 3.22Å; A101-Y103 WeakPolarHBondContact O-CD1 3.35Å; A101-Y103 WeakPolarHBondContact O-CE1 3.37Å
102D98.6Very high98.7Very high140 Ų14045.3 Ų45.375%0.74925%0.251SS*.PPolyproline II helixtrans-70.4131.1167.8-73.1-47.3000110.3
103Y98.8Very high98.7Very high11 Ų1142.1 Ų42.14%0.04323%0.226CC..PPolyproline II helixtrans-84.5153.2-178-64.8-1.5000111.1L51 I70 S99 A101 Q105 A127 L128 V131L51-Y103 HydrophobicContact CD2-CE2 4.47Å; I70-Y103 HydrophobicContact CD1-CD1 3.96Å; I70-Y103 HydrophobicContact CD1-CD2 4.13Å; I70-Y103 HydrophobicContact CD1-CE1 4.13Å; I70-Y103 HydrophobicContact CD1-CE2 4.27Å; I70-Y103 HydrophobicContact CD1-CG 3.98Å; I70-Y103 HydrophobicContact CG2-CD1 4.38Å; I70-Y103 HydrophobicContact CG2-CE1 3.57Å; I70-Y103 HydrophobicContact CG2-CE2 4.46Å; S99-Y103 PolarHBondContact O-OH 2.86Å; A101-Y103 VanDerWaalsContact O-CD1 3.22Å; A101-Y103 WeakPolarHBondContact O-CD1 3.35Å; A101-Y103 WeakPolarHBondContact O-CE1 3.37Å; Y103-Q105 PolarHBondContact O-N 2.76Å; Y103-A127 HydrophobicContact CD2-CB 3.94Å; Y103-A127 HydrophobicContact CE1-CB 4.17Å; Y103-A127 HydrophobicContact CE2-CB 3.44Å; Y103-A127 VanDerWaalsContact CE2-CB 3.44Å; Y103-L128 HydrophobicContact CD2-CD2 3.96Å; Y103-L128 HydrophobicContact CD2-CG 4.11Å; Y103-L128 HydrophobicContact CE2-CD2 4.25Å; Y103-L128 HydrophobicContact CE2-CG 4Å; Y103-V131 WeakPolarHBondContact O-CG1 3.42Å
104P98.8Very high98.7Very high22 Ų2242.3 Ų42.314%0.14323%0.226CC..PPolyproline II helixtrans-57.8134.3173.3-23.633.1000112P47 L49 Y68 L97 V131P47-P104 HydrophobicContact CB-CB 3.94Å; P47-P104 HydrophobicContact CG-CB 3.95Å; L49-P104 HydrophobicContact CD2-CB 4.11Å; L49-P104 HydrophobicContact CD2-CG 3.7Å; Y68-P104 HydrophobicContact CD1-CG 3.65Å; Y68-P104 HydrophobicContact CD2-CB 4.39Å; Y68-P104 HydrophobicContact CD2-CG 3.61Å; Y68-P104 HydrophobicContact CE1-CG 3.66Å; Y68-P104 HydrophobicContact CE2-CB 4.1Å; Y68-P104 HydrophobicContact CE2-CG 3.62Å; Y68-P104 HydrophobicContact CG-CG 3.62Å; L97-P104 HydrophobicContact CD1-CG 4.38Å; P104-V131 WeakPolarHBondContact O-CB 3.41Å
105Q98.7Very high98.7Very high121 Ų12143 Ų4357%0.56523%0.231SC*.SBendtrans-67.6145.4-178.7-68.4-65.8-33.200112.4Y103Y103-Q105 PolarHBondContact O-N 2.76Å
106Q98.4Very high98.6Very high138 Ų13850 Ų5065%0.64526%0.261SS*.SBendtrans50.152.4174-57.5-179.888.300113.7G108 V131 T133Q106-G108 PolarHBondContact O-N 2.83Å; Q106-V131 VanDerWaalsContact CA-O 3.29Å; Q106-V131 WeakPolarHBondContact CA-O 3.29Å; Q106-V131 PolarHBondContact N-O 2.78Å; Q106-T133 HydrophobicContact CB-CG2 4.39Å; Q106-T133 HydrophobicContact CG-CG2 3.99Å
107P98.8Very high98.5Very high2 Ų250.7 Ų50.71%0.01327%0.269CS..  trans-60.4136.5176.230.6-35.2000109.8P47 L49 V110 V131 V132 T136P47-P107 HydrophobicContact CB-CB 4.31Å; P47-P107 CarbonylContact O-C 3.57Å; P47-P107 WeakPolarHBondContact O-CA 3.34Å; P47-P107 WeakPolarHBondContact O-CB 3.39Å; L49-P107 HydrophobicContact CD1-CB 3.8Å; L49-P107 HydrophobicContact CD1-CG 3.84Å; L49-P107 HydrophobicContact CD2-CB 4.41Å; L49-P107 HydrophobicContact CG-CB 3.69Å; L49-P107 HydrophobicContact CG-CG 4.29Å; P107-V110 HydrophobicContact CB-CG2 4Å; P107-V110 HydrophobicContact CG-CG2 3.76Å; P107-V131 WeakPolarHBondContact CD-O 3.45Å; P107-V131 HydrophobicContact CG-CG2 4.22Å; P107-V132 HydrophobicContact CG-CG1 3.96Å; P107-T136 HydrophobicContact CG-CG2 4.07Å; P107-T136 WeakPolarHBondContact O-CB 3.43Å; P107-T136 WeakPolarHBondContact O-CG2 3.39Å; P107-T136 PolarHBondContact O-OG1 3.02Å
108G98.4Very high98.5Very high21 Ų2152.2 Ų52.222%0.21628%0.277CS..SBendtrans-78.9-30.8172.900000111.7R45 P47 Q106 R137R45-G108 VanDerWaalsContact O-CA 3.26Å; R45-G108 WeakPolarHBondContact O-CA 3.47Å; P47-G108 PolarHBondContact O-N 2.67Å; Q106-G108 PolarHBondContact O-N 2.83Å; G108-R137 PolarHBondContact O-N 3.2Å
109V98.8Very high98.5Very high3 Ų348.4 Ų48.42%0.01826%0.26CS..EExtended strand (participates in β ladder)trans-134.2135.2179.5-1790000110.8L39 I44 P47 V48 L49 L111L39-V109 HydrophobicContact CD1-CG1 4.09Å; L39-V109 HydrophobicContact CD2-CG1 4.14Å; I44-V109 HydrophobicContact CG2-CG2 4.19Å; P47-V109 PolarHBondContact O-N 2.9Å; V48-V109 WeakPolarHBondContact CA-O 3.38Å; V48-V109 HydrophobicContact CG1-CB 4.39Å; V48-V109 HydrophobicContact CG1-CG1 4.45Å; V48-V109 HydrophobicContact CG2-CB 4.4Å; L49-V109 PolarHBondContact N-O 3.25Å; V109-L111 HydrophobicContact CG1-CD2 3.99Å; V109-L111 HydrophobicContact CG1-CG 4.05Å
110V98.9Very high98.5Very high0 Ų048.6 Ų48.60%026%0.261CS..EExtended strand (participates in β ladder)trans-128.9114.2172.1178.70000108.6L49 L51 P107 I112 L128 V132 T136 R137 I138 I139L49-V110 HydrophobicContact CB-CG2 4.25Å; L49-V110 HydrophobicContact CD1-CG2 4.24Å; L49-V110 HydrophobicContact CG-CG2 4.35Å; L49-V110 CarbonylContact O-C 3.49Å; L49-V110 WeakPolarHBondContact O-CA 3.43Å; L51-V110 HydrophobicContact CD1-CG1 4.04Å; P107-V110 HydrophobicContact CB-CG2 4Å; P107-V110 HydrophobicContact CG-CG2 3.76Å; V110-I112 HydrophobicContact CG1-CD1 4.12Å; V110-I112 HydrophobicContact CG1-CG1 3.86Å; V110-L128 HydrophobicContact CB-CD2 4.47Å; V110-L128 HydrophobicContact CG1-CD1 3.79Å; V110-L128 HydrophobicContact CG1-CD2 3.68Å; V110-L128 HydrophobicContact CG1-CG 4.41Å; V110-L128 HydrophobicContact CG2-CD2 3.89Å; V110-V132 HydrophobicContact CG2-CG1 4.14Å; V110-T136 HydrophobicContact CB-CG2 4.38Å; V110-T136 HydrophobicContact CG2-CG2 3.63Å; V110-R137 PolarHBondContact N-O 2.83Å; V110-I138 HydrophobicContact CB-CG1 4.35Å; V110-I138 HydrophobicContact CB-CG2 4.39Å; V110-I138 HydrophobicContact CG1-CG2 4.38Å; V110-I139 PolarHBondContact O-N 3.05Å
111L98.9Very high98.5Very high0 Ų044.9 Ų44.90%024%0.239CC..EExtended strand (participates in β ladder)trans-105.2128.2173-58.4-174.3000109.5L35 L39 L49 I50 L51 L58 L62 V109 I139L35-L111 HydrophobicContact CD2-CD2 4.21Å; L39-L111 HydrophobicContact CD1-CD1 4Å; L39-L111 HydrophobicContact CD1-CD2 4.22Å; L39-L111 HydrophobicContact CD1-CG 4.48Å; L49-L111 PolarHBondContact O-N 2.83Å; I50-L111 CarbonylContact C-O 3.49Å; I50-L111 WeakPolarHBondContact CA-O 3.43Å; L51-L111 PolarHBondContact N-O 2.81Å; L58-L111 HydrophobicContact CD1-CB 4.45Å; L58-L111 HydrophobicContact CD1-CD1 4.45Å; L62-L111 HydrophobicContact CD1-CD1 3.63Å; V109-L111 HydrophobicContact CG1-CD2 3.99Å; V109-L111 HydrophobicContact CG1-CG 4.05Å; L111-I139 CarbonylContact C-O 3.28Å; L111-I139 WeakPolarHBondContact CA-O 3.35Å; L111-I139 HydrophobicContact CD2-CB 4.16Å; L111-I139 HydrophobicContact CD2-CD1 4.2Å
112I98.9Very high98.5Very high0 Ų045.9 Ų45.90%024%0.237CC..EExtended strand (participates in β ladder)trans-122.2117.5-177.3-52.9170.8000109.3L51 V110 V114 L121 L125 L128 I138 I139 A140 G141 F155L51-I112 HydrophobicContact CB-CB 4.49Å; L51-I112 HydrophobicContact CB-CG1 4.35Å; L51-I112 HydrophobicContact CB-CG2 4.27Å; L51-I112 HydrophobicContact CD1-CG1 4.45Å; L51-I112 HydrophobicContact CD2-CG1 4.38Å; V110-I112 HydrophobicContact CG1-CD1 4.12Å; V110-I112 HydrophobicContact CG1-CG1 3.86Å; I112-V114 PolarHBondContact O-N 3.04Å; I112-L121 HydrophobicContact CG2-CD1 4.39Å; I112-L125 HydrophobicContact CD1-CD2 3.92Å; I112-L128 HydrophobicContact CD1-CD1 3.77Å; I112-L128 HydrophobicContact CG1-CD1 4.44Å; I112-I138 HydrophobicContact CD1-CG2 4.25Å; I112-I139 PolarHBondContact N-O 3.04Å; I112-A140 HydrophobicContact CB-CB 3.87Å; I112-A140 HydrophobicContact CG2-CB 4.4Å; I112-A140 CarbonylContact O-C 3.59Å; I112-A140 WeakPolarHBondContact O-CA 3.29Å; I112-G141 PolarHBondContact O-N 3.16Å; I112-F155 HydrophobicContact CD1-CE1 3.92Å; I112-F155 HydrophobicContact CD1-CZ 4.05Å
113K98.9Very high98.5Very high15 Ų1540 Ų407%0.06521%0.206CC..EExtended strand (participates in β ladder)trans-77.8116.4157.7-64.1-57.2-61.7-69.10107.6E29 D32 L35 L51 N52 L58 P115 G141E29-K113 WeakPolarHBondContact OE1-CE 3.26Å; E29-K113 IonicContact OE1-NZ 2.67Å; E29-K113 PolarHBondContact OE1-NZ 2.84Å; D32-K113 WeakPolarHBondContact OD1-CD 3.43Å; D32-K113 WeakPolarHBondContact OD1-CE 3.46Å; D32-K113 IonicContact OD1-NZ 3.64Å; D32-K113 PolarHBondContact OD1-NZ 2.71Å; D32-K113 IonicContact OD2-NZ 2.89Å; D32-K113 PolarHBondContact OD2-NZ 2.9Å; D32-K113 VanDerWaalsContact OD2-NZ 3.11Å; L35-K113 HydrophobicContact CD1-CD 3.55Å; L51-K113 PolarHBondContact O-N 3.17Å; N52-K113 HydrophobicContact CB-CB 4.14Å; N52-K113 WeakPolarHBondContact CB-O 3.39Å; N52-K113 PolarHBondContact ND2-O 3.29Å; N52-K113 WeakPolarHBondContact O-CB 3.36Å; L58-K113 HydrophobicContact CD1-CD 4.2Å; L58-K113 HydrophobicContact CD1-CG 4.17Å; K113-P115 WeakPolarHBondContact O-CD 3.21Å; K113-P115 VanDerWaalsContact O-N 3.09Å; K113-G141 WeakPolarHBondContact CA-O 3.18Å
114V98.7Very high98.5Very high27 Ų2739.5 Ų39.516%0.16420%0.203CC..PPolyproline II helixtrans-59.1118.8-177.6179.60000108.1I112 L121 A140 G141 A142 T151I112-V114 PolarHBondContact O-N 3.04Å; V114-L121 HydrophobicContact CG1-CD2 4.32Å; V114-A140 HydrophobicContact CG2-CB 4.09Å; V114-G141 PolarHBondContact N-O 3.04Å; V114-G141 VanDerWaalsContact N-O 3.16Å; V114-A142 HydrophobicContact CB-CB 3.8Å; V114-A142 HydrophobicContact CG2-CB 3.93Å; V114-T151 HydrophobicContact CG1-CG2 4.12Å
115P98.4Very high98.5Very high19 Ų1938.5 Ų38.512%0.12320%0.197CC..PPolyproline II helixtrans-71.2166.4-177.330.3-34.1000110.4K113 T117 L120 L121K113-P115 WeakPolarHBondContact O-CD 3.21Å; K113-P115 VanDerWaalsContact O-N 3.09Å; P115-T117 PolarHBondContact O-N 3.44Å; P115-L120 HydrophobicContact CB-CB 4.29Å; P115-L120 HydrophobicContact CB-CD2 3.71Å; P115-L120 HydrophobicContact CB-CG 4.1Å; P115-L120 HydrophobicContact CG-CB 4.17Å; P115-L120 HydrophobicContact CG-CD2 4.28Å; P115-L120 HydrophobicContact CG-CG 4.12Å; P115-L121 HydrophobicContact CG-CB 3.78Å
116K96.9Very high98.5Very high219 Ų21934.4 Ų34.495%0.95218%0.176SC*.SBendtrans-66.2-24.7-179.5-62-176-178.11770113.5
117T97.4Very high98.5Very high54 Ų5428.4 Ų28.433%0.33115%0.15SC..  trans-114.6133.9-174.767.30000110.8P115 A119 L120 L121 N206P115-T117 PolarHBondContact O-N 3.44Å; T117-A119 PolarHBondContact O-N 3.11Å; T117-L120 PolarHBondContact O-N 3.45Å; T117-L120 VanDerWaalsContact OG1-CB 3.26Å; T117-L120 WeakPolarHBondContact OG1-CB 3.13Å; T117-L120 PolarHBondContact OG1-N 2.69Å; T117-L121 PolarHBondContact O-N 2.89Å; T117-N206 PolarHBondContact OG1-OD1 3.15Å
118L97.7Very high98.5Very high80 Ų8028.3 Ų28.342%0.41915%0.15SC..Hα-helixtrans-63.3-30.6176.4-133.884.9000111.8L121 E122 L154L118-L121 PolarHBondContact O-N 2.91Å; L118-E122 PolarHBondContact O-N 2.89Å; L118-L154 HydrophobicContact CD2-CD2 4.29Å; L118-L154 HydrophobicContact CG-CD2 3.96Å
119A98.3Very high98.6Very high29 Ų2929.6 Ų29.624%0.2415%0.148CC..Hα-helixtrans-65.6-44178.900000112.3T117 L121 E122 Q123 A205T117-A119 PolarHBondContact O-N 3.11Å; A119-L121 VanDerWaalsContact C-N 3.35Å; A119-E122 PolarHBondContact O-N 3.42Å; A119-Q123 PolarHBondContact O-N 3Å; A119-A205 VanDerWaalsContact CB-O 3.27Å; A119-A205 WeakPolarHBondContact CB-O 3.49Å
120L98.8Very high98.6Very high7 Ų736 Ų364%0.03718%0.176CC..Hα-helixtrans-63.4-43.2173.9179.357.1000110.8S99 P115 T117 E122 Q123 Q124 N206S99-L120 WeakPolarHBondContact OG-CD1 3.28Å; P115-L120 HydrophobicContact CB-CB 4.29Å; P115-L120 HydrophobicContact CB-CD2 3.71Å; P115-L120 HydrophobicContact CB-CG 4.1Å; P115-L120 HydrophobicContact CG-CB 4.17Å; P115-L120 HydrophobicContact CG-CD2 4.28Å; P115-L120 HydrophobicContact CG-CG 4.12Å; T117-L120 PolarHBondContact O-N 3.45Å; T117-L120 VanDerWaalsContact OG1-CB 3.26Å; T117-L120 WeakPolarHBondContact OG1-CB 3.13Å; T117-L120 PolarHBondContact OG1-N 2.69Å; L120-E122 PolarHBondContact O-N 2.84Å; L120-Q123 PolarHBondContact O-N 2.83Å; L120-Q124 HydrophobicContact CD1-CG 4.02Å; L120-Q124 HydrophobicContact CG-CG 4.42Å; L120-Q124 WeakPolarHBondContact O-CB 3.37Å; L120-Q124 WeakPolarHBondContact O-CG 3.48Å; L120-Q124 PolarHBondContact O-N 2.8Å; L120-N206 HydrophobicContact CB-CB 4.09Å; L120-N206 HydrophobicContact CD1-CB 4.15Å; L120-N206 HydrophobicContact CD2-CB 4.02Å; L120-N206 HydrophobicContact CG-CB 4.3Å
121L98.8Very high98.6Very high1 Ų136.4 Ų36.41%0.00518%0.178CC..Hα-helixtrans-57.7-48.8175.2-177.859.9000111I112 V114 P115 T117 L118 A119 Q123 Q124 L125 T151 L154 F155I112-L121 HydrophobicContact CG2-CD1 4.39Å; V114-L121 HydrophobicContact CG1-CD2 4.32Å; P115-L121 HydrophobicContact CG-CB 3.78Å; T117-L121 PolarHBondContact O-N 2.89Å; L118-L121 PolarHBondContact O-N 2.91Å; A119-L121 VanDerWaalsContact C-N 3.35Å; L121-Q123 VanDerWaalsContact C-N 3.34Å; L121-Q123 PolarHBondContact O-N 2.84Å; L121-Q124 PolarHBondContact O-N 3.45Å; L121-L125 HydrophobicContact CD1-CD1 4.09Å; L121-L125 HydrophobicContact CD1-CD2 4.01Å; L121-L125 HydrophobicContact CD1-CG 3.86Å; L121-L125 HydrophobicContact CG-CD1 4.01Å; L121-L125 HydrophobicContact CG-CG 4.15Å; L121-L125 VanDerWaalsContact O-CG 3.26Å; L121-L125 WeakPolarHBondContact O-CG 3.45Å; L121-L125 PolarHBondContact O-N 2.92Å; L121-T151 HydrophobicContact CD2-CG2 3.81Å; L121-L154 HydrophobicContact CB-CD2 4.12Å; L121-L154 HydrophobicContact CD2-CD2 3.97Å; L121-L154 HydrophobicContact CG-CD2 3.9Å; L121-F155 HydrophobicContact CD1-CE2 4.24Å; L121-F155 HydrophobicContact CD1-CZ 4.17Å; L121-F155 HydrophobicContact CD2-CE2 4.12Å
122E98.8Very high98.5Very high54 Ų5436.8 Ų36.825%0.25218%0.18SC..Hα-helixtrans-58.8-46180-177.9169.4-17900111.7L118 A119 L120 Q124 L125 R126 L154L118-E122 PolarHBondContact O-N 2.89Å; A119-E122 PolarHBondContact O-N 3.42Å; L120-E122 PolarHBondContact O-N 2.84Å; E122-Q124 VanDerWaalsContact C-N 3.33Å; E122-Q124 PolarHBondContact O-N 2.99Å; E122-L125 PolarHBondContact O-N 3.33Å; E122-R126 HydrophobicContact CG-CG 4.44Å; E122-R126 WeakPolarHBondContact O-CB 3.2Å; E122-R126 VanDerWaalsContact O-CG 3.3Å; E122-R126 WeakPolarHBondContact O-CG 3.25Å; E122-R126 PolarHBondContact O-N 3.05Å; E122-R126 IonicContact OE1-CZ 3.34Å; E122-R126 IonicContact OE1-NE 2.79Å; E122-R126 PolarHBondContact OE1-NE 3.38Å; E122-R126 IonicContact OE1-NH2 2.82Å; E122-R126 PolarHBondContact OE1-NH2 2.73Å; E122-L154 HydrophobicContact CB-CD1 3.93Å; E122-L154 HydrophobicContact CB-CD2 3.89Å; E122-L154 HydrophobicContact CB-CG 4.38Å; E122-L154 HydrophobicContact CG-CD1 3.92Å
123Q98.7Very high98.5Very high18 Ų1838.8 Ų38.88%0.08419%0.192CC..Hα-helixtrans-59.3-46.4177.9178.5-83.7-58.100111.2S99 A119 L120 L121 R126 A127 A205S99-Q123 PolarHBondContact O-NE2 2.95Å; S99-Q123 PolarHBondContact O-OE1 2.9Å; S99-Q123 PolarHBondContact OG-OE1 3.44Å; A119-Q123 PolarHBondContact O-N 3Å; L120-Q123 PolarHBondContact O-N 2.83Å; L121-Q123 VanDerWaalsContact C-N 3.34Å; L121-Q123 PolarHBondContact O-N 2.84Å; Q123-R126 PolarHBondContact O-N 2.94Å; Q123-A127 PolarHBondContact O-N 2.91Å; Q123-A205 HydrophobicContact CB-CB 3.55Å; Q123-A205 HydrophobicContact CG-CB 3.99Å
124Q98.9Very high98.5Very high0 Ų041.9 Ų41.90%022%0.216CC..Hα-helixtrans-65.9-41.6180-75.4177.9-18.400112.7L51 N52 S99 L120 L121 E122 R126 A127 L128L51-Q124 HydrophobicContact CD2-CB 3.81Å; L51-Q124 HydrophobicContact CD2-CG 4.07Å; N52-Q124 PolarHBondContact ND2-OE1 3.29Å; N52-Q124 PolarHBondContact OD1-NE2 3.2Å; S99-Q124 WeakPolarHBondContact OG-CG 3.4Å; S99-Q124 PolarHBondContact OG-NE2 3.3Å; L120-Q124 HydrophobicContact CD1-CG 4.02Å; L120-Q124 HydrophobicContact CG-CG 4.42Å; L120-Q124 WeakPolarHBondContact O-CB 3.37Å; L120-Q124 WeakPolarHBondContact O-CG 3.48Å; L120-Q124 PolarHBondContact O-N 2.8Å; L121-Q124 PolarHBondContact O-N 3.45Å; E122-Q124 VanDerWaalsContact C-N 3.33Å; E122-Q124 PolarHBondContact O-N 2.99Å; Q124-R126 VanDerWaalsContact C-N 3.32Å; Q124-R126 PolarHBondContact O-N 2.96Å; Q124-A127 PolarHBondContact O-N 3.46Å; Q124-L128 WeakPolarHBondContact O-CB 3.42Å; Q124-L128 WeakPolarHBondContact O-CG 3.26Å; Q124-L128 PolarHBondContact O-N 2.84Å
125L98.9Very high98.5Very high0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-65-37.8175.1-62.9-174.9000111.2I112 L121 E122 A127 L128 R129 L154 F155 V158 L159I112-L125 HydrophobicContact CD1-CD2 3.92Å; L121-L125 HydrophobicContact CD1-CD1 4.09Å; L121-L125 HydrophobicContact CD1-CD2 4.01Å; L121-L125 HydrophobicContact CD1-CG 3.86Å; L121-L125 HydrophobicContact CG-CD1 4.01Å; L121-L125 HydrophobicContact CG-CG 4.15Å; L121-L125 VanDerWaalsContact O-CG 3.26Å; L121-L125 WeakPolarHBondContact O-CG 3.45Å; L121-L125 PolarHBondContact O-N 2.92Å; E122-L125 PolarHBondContact O-N 3.33Å; L125-A127 VanDerWaalsContact C-N 3.34Å; L125-L128 HydrophobicContact CD2-CD1 4.22Å; L125-L128 PolarHBondContact O-N 2.84Å; L125-R129 WeakPolarHBondContact O-CB 3.16Å; L125-R129 PolarHBondContact O-N 3.07Å; L125-L154 HydrophobicContact CD1-CG 4.13Å; L125-F155 HydrophobicContact CD1-CD1 4Å; L125-F155 HydrophobicContact CD1-CD2 4.23Å; L125-F155 HydrophobicContact CD1-CE1 4.19Å; L125-F155 HydrophobicContact CD1-CE2 4.4Å; L125-F155 HydrophobicContact CD1-CG 4.01Å; L125-F155 HydrophobicContact CD1-CZ 4.36Å; L125-F155 HydrophobicContact CD2-CD1 3.92Å; L125-F155 HydrophobicContact CD2-CE1 3.46Å; L125-F155 VanDerWaalsContact CD2-CE1 3.46Å; L125-F155 HydrophobicContact CD2-CZ 3.87Å; L125-F155 HydrophobicContact CG-CE1 4.48Å; L125-V158 VanDerWaalsContact C-CG1 3.46Å; L125-V158 HydrophobicContact CB-CB 4.03Å; L125-V158 HydrophobicContact CB-CG1 3.64Å; L125-L159 HydrophobicContact CB-CD1 4.48Å; L125-L159 HydrophobicContact CB-CG 4.34Å; L125-L159 HydrophobicContact CD2-CD1 3.71Å; L125-L159 HydrophobicContact CD2-CG 4.42Å; L125-L159 WeakPolarHBondContact O-CD2 3.39Å
126R98.7Very high98.5Very high36 Ų3646.9 Ų46.914%0.13624%0.241CC..Hα-helixtrans-67.6-33.5174.3-73.7175.6178.8-874.4112.6E122 Q123 Q124 V158 L183 A184E122-R126 HydrophobicContact CG-CG 4.44Å; E122-R126 WeakPolarHBondContact O-CB 3.2Å; E122-R126 VanDerWaalsContact O-CG 3.3Å; E122-R126 WeakPolarHBondContact O-CG 3.25Å; E122-R126 PolarHBondContact O-N 3.05Å; E122-R126 IonicContact OE1-CZ 3.34Å; E122-R126 IonicContact OE1-NE 2.79Å; E122-R126 PolarHBondContact OE1-NE 3.38Å; E122-R126 IonicContact OE1-NH2 2.82Å; E122-R126 PolarHBondContact OE1-NH2 2.73Å; Q123-R126 PolarHBondContact O-N 2.94Å; Q124-R126 VanDerWaalsContact C-N 3.32Å; Q124-R126 PolarHBondContact O-N 2.96Å; R126-V158 HydrophobicContact CG-CG1 3.89Å; R126-L183 HydrophobicContact CG-CD2 4.35Å; R126-A184 PolarHBondContact NH1-O 3.38Å
127A98.8Very high98.5Very high12 Ų1240.5 Ų40.510%0.09921%0.211CC..Hα-helixtrans-69.2-45172.400000111.2Y103 Q123 Q124 L125 R129 K130Y103-A127 HydrophobicContact CD2-CB 3.94Å; Y103-A127 HydrophobicContact CE1-CB 4.17Å; Y103-A127 HydrophobicContact CE2-CB 3.44Å; Y103-A127 VanDerWaalsContact CE2-CB 3.44Å; Q123-A127 PolarHBondContact O-N 2.91Å; Q124-A127 PolarHBondContact O-N 3.46Å; L125-A127 VanDerWaalsContact C-N 3.34Å; A127-R129 VanDerWaalsContact C-N 3.33Å; A127-R129 PolarHBondContact O-N 2.86Å; A127-K130 WeakPolarHBondContact O-CB 3.33Å; A127-K130 PolarHBondContact O-N 3.41Å
128L98.9Very high98.6Very high0 Ų038 Ų380%020%0.195CC..Hα-helixtrans-58.7-41.8174.2-78.2167.6000112.3L49 L51 Y103 V110 I112 Q124 L125 K130 V131 V132 L159L49-L128 HydrophobicContact CD1-CD2 3.9Å; L51-L128 HydrophobicContact CD2-CD1 3.89Å; L51-L128 HydrophobicContact CD2-CG 4.39Å; Y103-L128 HydrophobicContact CD2-CD2 3.96Å; Y103-L128 HydrophobicContact CD2-CG 4.11Å; Y103-L128 HydrophobicContact CE2-CD2 4.25Å; Y103-L128 HydrophobicContact CE2-CG 4Å; V110-L128 HydrophobicContact CB-CD2 4.47Å; V110-L128 HydrophobicContact CG1-CD1 3.79Å; V110-L128 HydrophobicContact CG1-CD2 3.68Å; V110-L128 HydrophobicContact CG1-CG 4.41Å; V110-L128 HydrophobicContact CG2-CD2 3.89Å; I112-L128 HydrophobicContact CD1-CD1 3.77Å; I112-L128 HydrophobicContact CG1-CD1 4.44Å; Q124-L128 WeakPolarHBondContact O-CB 3.42Å; Q124-L128 WeakPolarHBondContact O-CG 3.26Å; Q124-L128 PolarHBondContact O-N 2.84Å; L125-L128 HydrophobicContact CD2-CD1 4.22Å; L125-L128 PolarHBondContact O-N 2.84Å; L128-K130 PolarHBondContact O-N 2.95Å; L128-V131 WeakPolarHBondContact O-CG2 3.36Å; L128-V131 PolarHBondContact O-N 2.94Å; L128-V132 HydrophobicContact CB-CG1 4.14Å; L128-V132 HydrophobicContact CD2-CG1 4.03Å; L128-V132 WeakPolarHBondContact O-CG1 3.3Å; L128-V132 WeakPolarHBondContact O-CG2 3.43Å; L128-V132 PolarHBondContact O-N 2.84Å; L128-L159 HydrophobicContact CB-CD2 4.43Å
129R98.8Very high98.7Very high47 Ų4734.2 Ų34.218%0.17718%0.175CC..Hα-helixtrans-49.6-31177.5178.8178.9179.898.62.9113.2L125 A127 V131 V158 L159 F178 P181L125-R129 WeakPolarHBondContact O-CB 3.16Å; L125-R129 PolarHBondContact O-N 3.07Å; A127-R129 VanDerWaalsContact C-N 3.33Å; A127-R129 PolarHBondContact O-N 2.86Å; R129-V131 VanDerWaalsContact C-N 3.3Å; R129-V131 PolarHBondContact O-N 2.91Å; R129-V158 HydrophobicContact CB-CG1 4.48Å; R129-V158 PolarHBondContact NH1-O 3.36Å; R129-L159 HydrophobicContact CB-CD2 3.91Å; R129-F178 HydrophobicContact CG-CE2 4.03Å; R129-F178 HydrophobicContact CG-CZ 4.23Å; R129-P181 VanDerWaalsContact NH1-CD 3.29Å; R129-P181 PolarHBondContact NH1-O 3.36Å; R129-P181 PolarHBondContact NH2-O 3.29Å
130K98.6Very high98.7Very high139 Ų13932.8 Ų32.860%0.60416%0.164SC*.THydrogen-bonded Turntrans-76.3-14.2-179.1-59.9175.4179.6179.50114.2A127 L128A127-K130 WeakPolarHBondContact O-CB 3.33Å; A127-K130 PolarHBondContact O-N 3.41Å; L128-K130 PolarHBondContact O-N 2.95Å
131V98.9Very high98.7Very high7 Ų732.5 Ų32.54%0.04216%0.162CC..THydrogen-bonded Turntrans-129.6-27.5-167.8-53.50000114.1L49 Y103 P104 Q106 P107 L128 R129L49-V131 HydrophobicContact CD1-CG2 4.49Å; Y103-V131 WeakPolarHBondContact O-CG1 3.42Å; P104-V131 WeakPolarHBondContact O-CB 3.41Å; Q106-V131 VanDerWaalsContact CA-O 3.29Å; Q106-V131 WeakPolarHBondContact CA-O 3.29Å; Q106-V131 PolarHBondContact N-O 2.78Å; P107-V131 WeakPolarHBondContact CD-O 3.45Å; P107-V131 HydrophobicContact CG-CG2 4.22Å; L128-V131 WeakPolarHBondContact O-CG2 3.36Å; L128-V131 PolarHBondContact O-N 2.94Å; R129-V131 VanDerWaalsContact C-N 3.3Å; R129-V131 PolarHBondContact O-N 2.91Å
132V98.8Very high98.7Very high9 Ų932.7 Ų32.76%0.05516%0.164CC..  trans-73.9155.8-179.2-59.60000111.6P107 V110 L128 T136 I138 L159 F178P107-V132 HydrophobicContact CG-CG1 3.96Å; V110-V132 HydrophobicContact CG2-CG1 4.14Å; L128-V132 HydrophobicContact CB-CG1 4.14Å; L128-V132 HydrophobicContact CD2-CG1 4.03Å; L128-V132 WeakPolarHBondContact O-CG1 3.3Å; L128-V132 WeakPolarHBondContact O-CG2 3.43Å; L128-V132 PolarHBondContact O-N 2.84Å; V132-T136 HydrophobicContact CB-CG2 4.19Å; V132-T136 HydrophobicContact CG1-CG2 3.97Å; V132-I138 HydrophobicContact CB-CD1 4.2Å; V132-I138 HydrophobicContact CG1-CD1 4.12Å; V132-I138 HydrophobicContact CG2-CD1 4.19Å; V132-L159 HydrophobicContact CG2-CD2 4.3Å; V132-F178 HydrophobicContact CG2-CB 4.05Å; V132-F178 HydrophobicContact CG2-CD1 3.96Å; V132-F178 HydrophobicContact CG2-CD2 3.53Å; V132-F178 HydrophobicContact CG2-CE1 4.24Å; V132-F178 HydrophobicContact CG2-CE2 3.88Å; V132-F178 HydrophobicContact CG2-CG 3.57Å; V132-F178 HydrophobicContact CG2-CZ 4.21Å
133T98.6Very high98.6Very high41 Ų4133.4 Ų33.425%0.25217%0.167SC..  trans-120.2172.9172.769.20000109.5Q106 D135 T136 F178Q106-T133 HydrophobicContact CB-CG2 4.39Å; Q106-T133 HydrophobicContact CG-CG2 3.99Å; T133-D135 PolarHBondContact O-N 2.89Å; T133-D135 PolarHBondContact OG1-N 2.81Å; T133-T136 PolarHBondContact N-OG1 3.07Å; T133-T136 WeakPolarHBondContact O-CB 3.45Å; T133-T136 PolarHBondContact O-N 2.87Å; T133-T136 VanDerWaalsContact O-N 3.11Å; T133-T136 PolarHBondContact O-OG1 3.5Å; T133-T136 PolarHBondContact OG1-N 3.45Å; T133-T136 PolarHBondContact OG1-OG1 3.1Å; T133-F178 WeakPolarHBondContact O-CB 3.3Å
134S98.2Very high98.6Very high80 Ų8034.1 Ų34.156%0.55918%0.175SC*.THydrogen-bonded Turntrans-59.9-21170.854.30000113.3
135D98Very high98.5Very high144 Ų14442.1 Ų42.177%0.7721%0.205SC*.THydrogen-bonded Turntrans-88.4-11.5-179.8-63.4-5.1000112.3T133 R137T133-D135 PolarHBondContact O-N 2.89Å; T133-D135 PolarHBondContact OG1-N 2.81Å; D135-R137 PolarHBondContact O-N 3.26Å
136T98.6Very high98.4Very high7 Ų745.2 Ų45.24%0.04322%0.222CC..SBendtrans-66.7127177.4-60.60000110.2P107 V110 V132 T133 I138P107-T136 HydrophobicContact CG-CG2 4.07Å; P107-T136 WeakPolarHBondContact O-CB 3.43Å; P107-T136 WeakPolarHBondContact O-CG2 3.39Å; P107-T136 PolarHBondContact O-OG1 3.02Å; V110-T136 HydrophobicContact CB-CG2 4.38Å; V110-T136 HydrophobicContact CG2-CG2 3.63Å; V132-T136 HydrophobicContact CB-CG2 4.19Å; V132-T136 HydrophobicContact CG1-CG2 3.97Å; T133-T136 PolarHBondContact N-OG1 3.07Å; T133-T136 WeakPolarHBondContact O-CB 3.45Å; T133-T136 PolarHBondContact O-N 2.87Å; T133-T136 VanDerWaalsContact O-N 3.11Å; T133-T136 PolarHBondContact O-OG1 3.5Å; T133-T136 PolarHBondContact OG1-N 3.45Å; T133-T136 PolarHBondContact OG1-OG1 3.1Å; T136-I138 HydrophobicContact CG2-CD1 4.32Å; T136-I138 HydrophobicContact CG2-CG1 3.63Å; T136-I138 PolarHBondContact O-N 2.93Å
137R98.4Very high98.3Very high86 Ų8644.7 Ų44.733%0.32522%0.222SC..EExtended strand (participates in β ladder)trans-80.3102.1171.5-174.364.5176.9-76.5-4.7110.2G108 V110 D135 I139G108-R137 PolarHBondContact O-N 3.2Å; V110-R137 PolarHBondContact N-O 2.83Å; D135-R137 PolarHBondContact O-N 3.26Å; R137-I139 HydrophobicContact CG-CD1 3.9Å; R137-I139 HydrophobicContact CG-CG1 4.05Å
138I98.9Very high98.2Very high1 Ų149.1 Ų49.11%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-103.8117.8-178-50.2173000110.1V110 I112 V132 T136 L159 C176 F178V110-I138 HydrophobicContact CB-CG1 4.35Å; V110-I138 HydrophobicContact CB-CG2 4.39Å; V110-I138 HydrophobicContact CG1-CG2 4.38Å; I112-I138 HydrophobicContact CD1-CG2 4.25Å; V132-I138 HydrophobicContact CB-CD1 4.2Å; V132-I138 HydrophobicContact CG1-CD1 4.12Å; V132-I138 HydrophobicContact CG2-CD1 4.19Å; T136-I138 HydrophobicContact CG2-CD1 4.32Å; T136-I138 HydrophobicContact CG2-CG1 3.63Å; T136-I138 PolarHBondContact O-N 2.93Å; I138-L159 HydrophobicContact CD1-CD1 4.15Å; I138-L159 HydrophobicContact CG2-CD1 4.42Å; I138-C176 HydrophobicContact CB-CB 4.18Å; I138-C176 HydrophobicContact CG2-CB 4.09Å; I138-C176 PolarHBondContact O-N 3.48Å; I138-F178 HydrophobicContact CD1-CB 4.27Å
139I98.8Very high98.1Very high0 Ų053.9 Ų53.90%027%0.269CS..EExtended strand (participates in β ladder)trans-134125.5-178.1-42.3170.5000109.4L35 Q38 L39 V110 L111 I112 R137 L173 I174L35-I139 HydrophobicContact CD2-CB 3.97Å; L35-I139 HydrophobicContact CD2-CG2 3.58Å; Q38-I139 HydrophobicContact CB-CD1 3.55Å; Q38-I139 HydrophobicContact CG-CD1 4.15Å; Q38-I139 HydrophobicContact CG-CG2 4.3Å; L39-I139 HydrophobicContact CD2-CD1 4.2Å; V110-I139 PolarHBondContact O-N 3.05Å; L111-I139 CarbonylContact C-O 3.28Å; L111-I139 WeakPolarHBondContact CA-O 3.35Å; L111-I139 HydrophobicContact CD2-CB 4.16Å; L111-I139 HydrophobicContact CD2-CD1 4.2Å; I112-I139 PolarHBondContact N-O 3.04Å; R137-I139 HydrophobicContact CG-CD1 3.9Å; R137-I139 HydrophobicContact CG-CG1 4.05Å; I139-L173 HydrophobicContact CG2-CB 4.31Å; I139-L173 HydrophobicContact CG2-CD1 4.29Å; I139-I174 CarbonylContact C-O 3.31Å; I139-I174 WeakPolarHBondContact CA-O 3.27Å
140A98.9Very high98Very high0 Ų054 Ų540%028%0.277CS..EExtended strand (participates in β ladder)trans-110144.5172.500000111I112 V114 F155 L173 I174I112-A140 HydrophobicContact CB-CB 3.87Å; I112-A140 HydrophobicContact CG2-CB 4.4Å; I112-A140 CarbonylContact O-C 3.59Å; I112-A140 WeakPolarHBondContact O-CA 3.29Å; V114-A140 HydrophobicContact CG2-CB 4.09Å; A140-F155 HydrophobicContact CB-CE1 4.26Å; A140-F155 HydrophobicContact CB-CE2 4.13Å; A140-F155 HydrophobicContact CB-CZ 3.51Å; A140-L173 CarbonylContact O-C 3.59Å; A140-L173 WeakPolarHBondContact O-CA 3.41Å; A140-I174 HydrophobicContact CB-CB 4.24Å; A140-I174 HydrophobicContact CB-CD1 4.45Å; A140-I174 PolarHBondContact N-O 2.82Å; A140-I174 PolarHBondContact O-N 3.23Å
141G98.7Very high98Very high0 Ų047.5 Ų47.50%025%0.249CC..EExtended strand (participates in β ladder)trans-137.8139.1-179.300000112.2I112 K113 V114I112-G141 PolarHBondContact O-N 3.16Å; K113-G141 WeakPolarHBondContact CA-O 3.18Å; V114-G141 PolarHBondContact N-O 3.04Å; V114-G141 VanDerWaalsContact N-O 3.16Å
142A98.4Very high98Very high5 Ų549.1 Ų49.14%0.04126%0.257CS..EExtended strand (participates in β ladder)trans-153.2178.617400000110.2V114 A144 D146 I147 A171 R172V114-A142 HydrophobicContact CB-CB 3.8Å; V114-A142 HydrophobicContact CG2-CB 3.93Å; A142-A144 PolarHBondContact O-N 3.46Å; A142-D146 HydrophobicContact CB-CB 4.31Å; A142-I147 HydrophobicContact CB-CD1 4.26Å; A142-I147 HydrophobicContact CB-CG1 3.9Å; A142-A171 VanDerWaalsContact O-CA 3.32Å; A142-A171 WeakPolarHBondContact O-CA 3.31Å; A142-R172 PolarHBondContact N-O 3.41Å; A142-R172 PolarHBondContact O-N 3.49Å
143K97.7Very high98Very high70 Ų7054.2 Ų54.230%0.30428%0.281SS..EExtended strand (participates in β ladder)trans-61.5140.5162.4-57.1-178179.769.10108.4E29 R145 D146 K170E29-K143 VanDerWaalsContact OE2-CE 3.28Å; E29-K143 WeakPolarHBondContact OE2-CE 3.49Å; E29-K143 IonicContact OE2-NZ 2.61Å; E29-K143 PolarHBondContact OE2-NZ 2.98Å; K143-R145 HydrophobicContact CB-CG 4.25Å; K143-R145 VanDerWaalsContact CD-NH2 3.27Å; K143-R145 PolarHBondContact O-N 2.95Å; K143-D146 WeakPolarHBondContact CB-OD2 3.32Å; K143-D146 WeakPolarHBondContact O-CB 3.33Å; K143-D146 PolarHBondContact O-N 2.8Å; K143-K170 CarbonylContact C-O 3.46Å; K143-K170 WeakPolarHBondContact CA-O 3.32Å
144A97.5Very high98Very high32 Ų3252.8 Ų52.826%0.26427%0.271SS..G310 helixtrans-56.6-30.3-174.600000113.4A142 D146 K170 R172A142-A144 PolarHBondContact O-N 3.46Å; A144-D146 VanDerWaalsContact C-N 3.33Å; A144-K170 PolarHBondContact N-O 3.32Å; A144-R172 HydrophobicContact CB-CB 3.86Å
145R96.8Very high98Very high168 Ų16849 Ų4963%0.63425%0.245SC*.G310 helixtrans-74.3-19.5176.664.4165.2-174.2-102.86.8114.5K143 I147 H148K143-R145 HydrophobicContact CB-CG 4.25Å; K143-R145 VanDerWaalsContact CD-NH2 3.27Å; K143-R145 PolarHBondContact O-N 2.95Å; R145-I147 VanDerWaalsContact C-N 3.34Å; R145-H148 PolarHBondContact O-CE1 2.94Å; R145-H148 PolarHBondContact O-NE2 2.61Å
146D96.5Very high98Very high66 Ų6646.3 Ų46.335%0.35323%0.228SC..G310 helixtrans-93.6-0.9-178.3-56.7-27.8000110.7A142 K143 A144A142-D146 HydrophobicContact CB-CB 4.31Å; K143-D146 WeakPolarHBondContact CB-OD2 3.32Å; K143-D146 WeakPolarHBondContact O-CB 3.33Å; K143-D146 PolarHBondContact O-N 2.8Å; A144-D146 VanDerWaalsContact C-N 3.33Å
147I96.8Very high98Very high24 Ų2451 Ų5112%0.12325%0.247CC..  trans-97.9106.2171.4-59.5-168.6000108.6A142 R145 L152 R172 I174A142-I147 HydrophobicContact CB-CD1 4.26Å; A142-I147 HydrophobicContact CB-CG1 3.9Å; R145-I147 VanDerWaalsContact C-N 3.34Å; I147-L152 HydrophobicContact CG2-CD2 4.49Å; I147-R172 HydrophobicContact CD1-CB 4.04Å; I147-R172 HydrophobicContact CD1-CG 4.43Å; I147-R172 WeakPolarHBondContact CD1-O 3.43Å; I147-I174 HydrophobicContact CD1-CD1 4.21Å; I147-I174 HydrophobicContact CD1-CG1 4.04Å; I147-I174 HydrophobicContact CG2-CD1 3.99Å; I147-I174 HydrophobicContact CG2-CG1 4.22Å
148H96.5Very high98.1Very high106 Ų10646.9 Ų46.949%0.49123%0.232SC..  trans-106.1167.5-179.3-57.4-72.2000111R145 S150 T151 L152R145-H148 PolarHBondContact O-CE1 2.94Å; R145-H148 PolarHBondContact O-NE2 2.61Å; H148-S150 PolarHBondContact O-N 2.84Å; H148-T151 PolarHBondContact N-OG1 3.16Å; H148-T151 VanDerWaalsContact N-OG1 3.13Å; H148-T151 WeakPolarHBondContact O-CA 3.37Å; H148-T151 WeakPolarHBondContact O-CB 3.29Å; H148-T151 PolarHBondContact O-N 2.88Å; H148-T151 PolarHBondContact O-OG1 3.28Å; H148-L152 PolarHBondContact O-N 3.5Å
149T97.1Very high98.1Very high100 Ų10046.9 Ų46.961%0.61323%0.232SC*.Hα-helixtrans-56-41.4172.3-48.70000111.5T151 L152 E153T149-T151 PolarHBondContact O-N 3.26Å; T149-L152 PolarHBondContact O-N 3.01Å; T149-L152 VanDerWaalsContact O-N 3.09Å; T149-E153 HydrophobicContact CG2-CG 4.25Å; T149-E153 WeakPolarHBondContact O-CG 3.42Å; T149-E153 PolarHBondContact O-N 3.21Å
150S97.7Very high98Very high48 Ų4846.9 Ų46.934%0.33623%0.232SC..Hα-helixtrans-61.7-27.6175.756.60000113.6H148 L154H148-S150 PolarHBondContact O-N 2.84Å; S150-L154 VanDerWaalsContact O-CB 3.31Å; S150-L154 WeakPolarHBondContact O-CB 3.35Å; S150-L154 PolarHBondContact O-N 3.39Å
151T98.2Very high98Very high3 Ų350 Ų502%0.01825%0.253CS..Hα-helixtrans-66.5-50.2172.9-44.50000109.8V114 L121 H148 T149 L154 F155 I174V114-T151 HydrophobicContact CG1-CG2 4.12Å; L121-T151 HydrophobicContact CD2-CG2 3.81Å; H148-T151 PolarHBondContact N-OG1 3.16Å; H148-T151 VanDerWaalsContact N-OG1 3.13Å; H148-T151 WeakPolarHBondContact O-CA 3.37Å; H148-T151 WeakPolarHBondContact O-CB 3.29Å; H148-T151 PolarHBondContact O-N 2.88Å; H148-T151 PolarHBondContact O-OG1 3.28Å; T149-T151 PolarHBondContact O-N 3.26Å; T151-L154 WeakPolarHBondContact O-CB 3.43Å; T151-L154 PolarHBondContact O-N 3.28Å; T151-F155 HydrophobicContact CG2-CD2 4.4Å; T151-F155 HydrophobicContact CG2-CE2 4.16Å; T151-F155 VanDerWaalsContact O-CD2 3.3Å; T151-F155 WeakPolarHBondContact O-CD2 3.41Å; T151-F155 PolarHBondContact O-N 3.28Å; T151-I174 HydrophobicContact CG2-CD1 3.91Å
152L98.4Very high98Very high41 Ų4151.2 Ų51.222%0.21526%0.26CS..Hα-helixtrans-63.2-47.9179.8-59.4175.7000111.6I147 H148 T149 L154 F155 E156 T164 I174I147-L152 HydrophobicContact CG2-CD2 4.49Å; H148-L152 PolarHBondContact O-N 3.5Å; T149-L152 PolarHBondContact O-N 3.01Å; T149-L152 VanDerWaalsContact O-N 3.09Å; L152-L154 PolarHBondContact O-N 2.8Å; L152-F155 WeakPolarHBondContact O-CB 3.08Å; L152-F155 PolarHBondContact O-N 3.11Å; L152-E156 WeakPolarHBondContact O-CG 3.44Å; L152-E156 PolarHBondContact O-N 2.8Å; L152-T164 HydrophobicContact CD1-CG2 4.27Å; L152-T164 HydrophobicContact CD2-CG2 3.76Å; L152-I174 HydrophobicContact CD2-CB 4.49Å; L152-I174 HydrophobicContact CD2-CD1 3.78Å; L152-I174 HydrophobicContact CD2-CG1 3.76Å; L152-I174 HydrophobicContact CD2-CG2 3.93Å
153E98.6Very high98Very high117 Ų11755.3 Ų55.355%0.54728%0.284SS..Hα-helixtrans-55.9-35.5177-71.8172.4169.200111.8T149 E156 K157T149-E153 HydrophobicContact CG2-CG 4.25Å; T149-E153 WeakPolarHBondContact O-CG 3.42Å; T149-E153 PolarHBondContact O-N 3.21Å; E153-E156 PolarHBondContact O-N 2.97Å; E153-K157 WeakPolarHBondContact O-CB 3.46Å; E153-K157 PolarHBondContact O-N 3.11Å
154L98.6Very high98Very high10 Ų1054.6 Ų54.65%0.05229%0.286CS..Hα-helixtrans-70.9-39.9177.7-170.761.9000112.6L118 L121 E122 L125 S150 T151 L152 V158L118-L154 HydrophobicContact CD2-CD2 4.29Å; L118-L154 HydrophobicContact CG-CD2 3.96Å; L121-L154 HydrophobicContact CB-CD2 4.12Å; L121-L154 HydrophobicContact CD2-CD2 3.97Å; L121-L154 HydrophobicContact CG-CD2 3.9Å; E122-L154 HydrophobicContact CB-CD1 3.93Å; E122-L154 HydrophobicContact CB-CD2 3.89Å; E122-L154 HydrophobicContact CB-CG 4.38Å; E122-L154 HydrophobicContact CG-CD1 3.92Å; L125-L154 HydrophobicContact CD1-CG 4.13Å; S150-L154 VanDerWaalsContact O-CB 3.31Å; S150-L154 WeakPolarHBondContact O-CB 3.35Å; S150-L154 PolarHBondContact O-N 3.39Å; T151-L154 WeakPolarHBondContact O-CB 3.43Å; T151-L154 PolarHBondContact O-N 3.28Å; L152-L154 PolarHBondContact O-N 2.8Å; L154-V158 HydrophobicContact CD1-CG2 4.11Å; L154-V158 WeakPolarHBondContact O-CB 3.28Å; L154-V158 VanDerWaalsContact O-CG2 3.32Å; L154-V158 WeakPolarHBondContact O-CG2 3.39Å; L154-V158 PolarHBondContact O-N 3.45Å; L154-V158 VanDerWaalsContact O-N 3.1Å
155F98.8Very high98.1Very high0 Ų054.1 Ų54.10%028%0.28CS..Hα-helixtrans-60.9-47.6170.8-85.3-86.1000111.3I112 L121 L125 A140 T151 L152 K157 V158 L159 G160 T162 I174 C176I112-F155 HydrophobicContact CD1-CE1 3.92Å; I112-F155 HydrophobicContact CD1-CZ 4.05Å; L121-F155 HydrophobicContact CD1-CE2 4.24Å; L121-F155 HydrophobicContact CD1-CZ 4.17Å; L121-F155 HydrophobicContact CD2-CE2 4.12Å; L125-F155 HydrophobicContact CD1-CD1 4Å; L125-F155 HydrophobicContact CD1-CD2 4.23Å; L125-F155 HydrophobicContact CD1-CE1 4.19Å; L125-F155 HydrophobicContact CD1-CE2 4.4Å; L125-F155 HydrophobicContact CD1-CG 4.01Å; L125-F155 HydrophobicContact CD1-CZ 4.36Å; L125-F155 HydrophobicContact CD2-CD1 3.92Å; L125-F155 HydrophobicContact CD2-CE1 3.46Å; L125-F155 VanDerWaalsContact CD2-CE1 3.46Å; L125-F155 HydrophobicContact CD2-CZ 3.87Å; L125-F155 HydrophobicContact CG-CE1 4.48Å; A140-F155 HydrophobicContact CB-CE1 4.26Å; A140-F155 HydrophobicContact CB-CE2 4.13Å; A140-F155 HydrophobicContact CB-CZ 3.51Å; T151-F155 HydrophobicContact CG2-CD2 4.4Å; T151-F155 HydrophobicContact CG2-CE2 4.16Å; T151-F155 VanDerWaalsContact O-CD2 3.3Å; T151-F155 WeakPolarHBondContact O-CD2 3.41Å; T151-F155 PolarHBondContact O-N 3.28Å; L152-F155 WeakPolarHBondContact O-CB 3.08Å; L152-F155 PolarHBondContact O-N 3.11Å; F155-K157 VanDerWaalsContact C-N 3.34Å; F155-K157 PolarHBondContact O-N 3.41Å; F155-V158 PolarHBondContact O-N 3.38Å; F155-L159 HydrophobicContact CD1-CD1 4.25Å; F155-L159 PolarHBondContact O-N 2.86Å; F155-G160 PolarHBondContact O-N 3.25Å; F155-T162 HydrophobicContact CB-CG2 3.42Å; F155-T162 VanDerWaalsContact CB-CG2 3.42Å; F155-T162 HydrophobicContact CG-CG2 4.21Å; F155-I174 HydrophobicContact CD2-CD1 4.07Å; F155-I174 HydrophobicContact CD2-CG2 4.49Å; F155-I174 HydrophobicContact CE2-CD1 3.85Å; F155-C176 HydrophobicContact CD1-CB 3.98Å
156E98.7Very high98.1Very high89 Ų8953.1 Ų53.142%0.41629%0.286SS..Hα-helixtrans-65-38.1-178.6-67.7178.8-179.500112.6L152 E153 G160 T162L152-E156 WeakPolarHBondContact O-CG 3.44Å; L152-E156 PolarHBondContact O-N 2.8Å; E153-E156 PolarHBondContact O-N 2.97Å; E156-G160 VanDerWaalsContact CA-O 3.29Å; E156-G160 WeakPolarHBondContact CA-O 3.44Å; E156-T162 HydrophobicContact CG-CG2 3.87Å; E156-T162 PolarHBondContact OE1-OG1 3.32Å
157K98.6Very high98.1Very high105 Ų10553.2 Ų53.246%0.45730%0.296SS..Hα-helixtrans-65.5-41175.1177.3-178.2174.7-169.10112.5E153 F155 P181 L183E153-K157 WeakPolarHBondContact O-CB 3.46Å; E153-K157 PolarHBondContact O-N 3.11Å; F155-K157 VanDerWaalsContact C-N 3.34Å; F155-K157 PolarHBondContact O-N 3.41Å; K157-P181 WeakPolarHBondContact O-CG 3.25Å; K157-L183 HydrophobicContact CD-CD1 4.47Å; K157-L183 HydrophobicContact CG-CD1 3.87Å
158V98.8Very high98.1Very high0 Ų055.5 Ų55.50%030%0.303CS..Hα-helixtrans-98.4-40.2-167.5-178.90000113.3L125 R126 R129 L154 F155 L183L125-V158 VanDerWaalsContact C-CG1 3.46Å; L125-V158 HydrophobicContact CB-CB 4.03Å; L125-V158 HydrophobicContact CB-CG1 3.64Å; R126-V158 HydrophobicContact CG-CG1 3.89Å; R129-V158 HydrophobicContact CB-CG1 4.48Å; R129-V158 PolarHBondContact NH1-O 3.36Å; L154-V158 HydrophobicContact CD1-CG2 4.11Å; L154-V158 WeakPolarHBondContact O-CB 3.28Å; L154-V158 VanDerWaalsContact O-CG2 3.32Å; L154-V158 WeakPolarHBondContact O-CG2 3.39Å; L154-V158 PolarHBondContact O-N 3.45Å; L154-V158 VanDerWaalsContact O-N 3.1Å; F155-V158 PolarHBondContact O-N 3.38Å; V158-L183 HydrophobicContact CB-CD2 4.29Å; V158-L183 HydrophobicContact CG1-CD2 3.96Å; V158-L183 HydrophobicContact CG2-CD2 4.18Å
159L98.8Very high98.1Very high0 Ų056.3 Ų56.30%031%0.306CS..THydrogen-bonded Turntrans-115.8-48-172.4-64.9-173.5000113.1L125 L128 R129 V132 I138 F155 C176 F178 N179 P181L125-L159 HydrophobicContact CB-CD1 4.48Å; L125-L159 HydrophobicContact CB-CG 4.34Å; L125-L159 HydrophobicContact CD2-CD1 3.71Å; L125-L159 HydrophobicContact CD2-CG 4.42Å; L125-L159 WeakPolarHBondContact O-CD2 3.39Å; L128-L159 HydrophobicContact CB-CD2 4.43Å; R129-L159 HydrophobicContact CB-CD2 3.91Å; V132-L159 HydrophobicContact CG2-CD2 4.3Å; I138-L159 HydrophobicContact CD1-CD1 4.15Å; I138-L159 HydrophobicContact CG2-CD1 4.42Å; F155-L159 HydrophobicContact CD1-CD1 4.25Å; F155-L159 PolarHBondContact O-N 2.86Å; L159-C176 VanDerWaalsContact CB-SG 3.58Å; L159-F178 HydrophobicContact CB-CD2 4.19Å; L159-F178 HydrophobicContact CD2-CD2 4Å; L159-F178 HydrophobicContact CD2-CE2 4.1Å; L159-F178 WeakPolarHBondContact O-CA 3.47Å; L159-F178 WeakPolarHBondContact O-CD2 3.46Å; L159-N179 PolarHBondContact O-N 3.14Å; L159-N179 PolarHBondContact O-OD1 3.37Å; L159-P181 WeakPolarHBondContact O-CD 3.26Å
160G98.7Very high98.1Very high1 Ų159.8 Ų59.81%0.0131%0.312CS..  trans147.7-174.1-178.600000114.9F155 E156 C176 T177 N179F155-G160 PolarHBondContact O-N 3.25Å; E156-G160 VanDerWaalsContact CA-O 3.29Å; E156-G160 WeakPolarHBondContact CA-O 3.44Å; G160-C176 PolarHBondContact O-SG 3.47Å; G160-C176 VanDerWaalsContact O-SG 3.4Å; G160-T177 WeakPolarHBondContact CA-O 3.15Å; G160-N179 WeakPolarHBondContact CA-OD1 3.32Å
161P98.5Very high98.1Very high66 Ų6657.6 Ų57.643%0.42930%0.297SS..  trans-56.3142.9-169.423.6-36000112.5T177 N179P161-T177 WeakPolarHBondContact CD-O 3.26Å; P161-T177 PolarHBondContact O-N 2.96Å; P161-T177 VanDerWaalsContact O-N 3.16Å; P161-N179 VanDerWaalsContact CD-CG 3.47Å; P161-N179 WeakPolarHBondContact CD-ND2 3.34Å
162T98.8Very high98.1Very high25 Ų2562 Ų6215%0.15331%0.313CS..EExtended strand (participates in β ladder)trans-111.3149.1-179.866.80000113F155 E156 I174 N175 C176F155-T162 HydrophobicContact CB-CG2 3.42Å; F155-T162 VanDerWaalsContact CB-CG2 3.42Å; F155-T162 HydrophobicContact CG-CG2 4.21Å; E156-T162 HydrophobicContact CG-CG2 3.87Å; E156-T162 PolarHBondContact OE1-OG1 3.32Å; T162-I174 HydrophobicContact CG2-CG2 3.74Å; T162-N175 CarbonylContact C-O 3.56Å; T162-N175 VanDerWaalsContact CA-O 3.27Å; T162-N175 WeakPolarHBondContact CA-O 3.49Å; T162-C176 HydrophobicContact CG2-CB 4.48Å
163T98.3Very high98.1Very high90 Ų9060 Ų6055%0.55230%0.303SS*.EExtended strand (participates in β ladder)trans-124.4155.8160.365.90000109.1I174 N175T163-I174 CarbonylContact O-C 3.58Å; T163-I174 WeakPolarHBondContact O-CA 3.47Å; T163-N175 PolarHBondContact N-O 3.36Å; T163-N175 PolarHBondContact O-N 3.04Å
164T98.1Very high98.1Very high56 Ų5654.5 Ų54.534%0.34428%0.277SS..EExtended strand (participates in β ladder)trans-120.4148178.762.90000111.1L152 R172 L173L152-T164 HydrophobicContact CD1-CG2 4.27Å; L152-T164 HydrophobicContact CD2-CG2 3.76Å; T164-R172 PolarHBondContact OG1-NH2 2.9Å; T164-L173 WeakPolarHBondContact CA-O 3.13Å
165T97.9Very high98.1Very high21 Ų2155.4 Ų55.413%0.12928%0.282CS..PPolyproline II helixtrans-82.8168.917267.40000111.3Y34 R172 L173Y34-T165 WeakPolarHBondContact CE1-OG1 3.28Å; Y34-T165 WeakPolarHBondContact OH-CB 3.46Å; Y34-T165 PolarHBondContact OH-OG1 2.82Å; T165-R172 PolarHBondContact O-NE 2.96Å; T165-L173 HydrophobicContact CG2-CB 3.81Å; T165-L173 HydrophobicContact CG2-CD1 4.29Å; T165-L173 HydrophobicContact CG2-CG 4.36Å; T165-L173 PolarHBondContact N-O 2.91Å; T165-L173 PolarHBondContact OG1-N 3.18Å
166L97.1Very high98.1Very high147 Ų14755.6 Ų55.677%0.7728%0.284SS*.PPolyproline II helixtrans-64.7156.1163.6-65.4176.6000110.3Y34Y34-L166 PolarHBondContact OH-O 3.25Å
167A96.9Very high98.1Very high69 Ų6955.4 Ų55.457%0.5729%0.288SS*.PPolyproline II helixtrans-69.4134.5173.100000110.3A171A167-A171 CarbonylContact C-O 3.56Å; A167-A171 VanDerWaalsContact CA-O 3.32Å; A167-A171 WeakPolarHBondContact CA-O 3.5Å
168W97.7Very high98.1Very high71 Ų7151.2 Ų51.227%0.26927%0.27SS..BIsolated β-bridgetrans-136.4123.4176.8179.283.1000109.5A30 E33 Y34 Q37 K170 A171A30-W168 HydrophobicContact CB-CZ3 4.38Å; E33-W168 HydrophobicContact CB-CH2 4.25Å; E33-W168 HydrophobicContact CB-CZ3 4.13Å; E33-W168 VanDerWaalsContact CD-CH2 3.45Å; E33-W168 HydrophobicContact CG-CH2 3.88Å; E33-W168 HydrophobicContact CG-CZ3 4.25Å; E33-W168 VanDerWaalsContact OE2-CH2 3.26Å; E33-W168 WeakPolarHBondContact OE2-CH2 3.18Å; Y34-W168 HydrophobicContact CD1-CB 3.9Å; Y34-W168 HydrophobicContact CD1-CE3 4.12Å; Y34-W168 HydrophobicContact CD2-CE3 4.25Å; Y34-W168 HydrophobicContact CE1-CB 3.56Å; Y34-W168 HydrophobicContact CE2-CB 4.42Å; Y34-W168 HydrophobicContact CG-CB 4.47Å; Y34-W168 HydrophobicContact CG-CD2 4.44Å; Y34-W168 AromaticContact CG-CE3 3.8Å; Y34-W168 HydrophobicContact CG-CE3 3.8Å; Y34-W168 HydrophobicContact CG-CZ3 4.38Å; Q37-W168 VanDerWaalsContact NE2-CH2 3.27Å; W168-K170 PolarHBondContact O-N 3.09Å; W168-K170 VanDerWaalsContact O-N 3.11Å; W168-A171 PolarHBondContact N-O 2.92Å; W168-A171 WeakPolarHBondContact O-CA 3.5Å; W168-A171 WeakPolarHBondContact O-CB 3.21Å; W168-A171 PolarHBondContact O-N 3.27Å
169K95.6Very high98.1Very high124 Ų12455.9 Ų55.954%0.53930%0.295SS..THydrogen-bonded Turntrans45.742.3-174.4-64.1-177-175.1173.20113.6A30 E33 A171A30-K169 HydrophobicContact CB-CB 3.6Å; A30-K169 HydrophobicContact CB-CD 4.36Å; A30-K169 WeakPolarHBondContact CB-O 3.28Å; E33-K169 IonicContact OE1-NZ 2.94Å; E33-K169 IonicContact OE2-NZ 2.95Å; E33-K169 PolarHBondContact OE2-NZ 3.09Å; K169-A171 PolarHBondContact O-N 3.21Å
170K96.4Very high98Very high173 Ų17361.9 Ų61.975%0.75232%0.323SS*.THydrogen-bonded Turntrans63.410.4-175.2-53175.5179.7174.20115.2K143 A144 W168K143-K170 CarbonylContact C-O 3.46Å; K143-K170 WeakPolarHBondContact CA-O 3.32Å; A144-K170 PolarHBondContact N-O 3.32Å; W168-K170 PolarHBondContact O-N 3.09Å; W168-K170 VanDerWaalsContact O-N 3.11Å
171A98Very high98Very high2 Ų263.1 Ų63.12%0.01733%0.331CS..EExtended strand (participates in β ladder)trans-98.1157.2167.600000110.9A30 A31 Y34 A142 A167 W168 K169A30-A171 HydrophobicContact CB-CB 3.95Å; A31-A171 HydrophobicContact CB-CB 3.89Å; Y34-A171 HydrophobicContact CD1-CB 4.29Å; A142-A171 VanDerWaalsContact O-CA 3.32Å; A142-A171 WeakPolarHBondContact O-CA 3.31Å; A167-A171 CarbonylContact C-O 3.56Å; A167-A171 VanDerWaalsContact CA-O 3.32Å; A167-A171 WeakPolarHBondContact CA-O 3.5Å; W168-A171 PolarHBondContact N-O 2.92Å; W168-A171 WeakPolarHBondContact O-CA 3.5Å; W168-A171 WeakPolarHBondContact O-CB 3.21Å; W168-A171 PolarHBondContact O-N 3.27Å; K169-A171 PolarHBondContact O-N 3.21Å
172R98.1Very high98Very high94 Ų9469.1 Ų69.136%0.35535%0.353SS..EExtended strand (participates in β ladder)trans-146.5149.4173.9-170.9171.2-168.7170.3-4.1109.1A142 A144 I147 T164 T165A142-R172 PolarHBondContact N-O 3.41Å; A142-R172 PolarHBondContact O-N 3.49Å; A144-R172 HydrophobicContact CB-CB 3.86Å; I147-R172 HydrophobicContact CD1-CB 4.04Å; I147-R172 HydrophobicContact CD1-CG 4.43Å; I147-R172 WeakPolarHBondContact CD1-O 3.43Å; T164-R172 PolarHBondContact OG1-NH2 2.9Å; T165-R172 PolarHBondContact O-NE 2.96Å
173L98.8Very high98Very high0 Ų069.2 Ų69.20%035%0.353CS..EExtended strand (participates in β ladder)trans-116.5154.3-178.6-48.2-179.5000111.8Y34 L35 Q38 I139 A140 T164 T165Y34-L173 HydrophobicContact CD1-CD1 3.89Å; Y34-L173 HydrophobicContact CD1-CD2 3.94Å; Y34-L173 HydrophobicContact CD1-CG 3.58Å; Y34-L173 HydrophobicContact CD2-CD1 3.81Å; Y34-L173 HydrophobicContact CD2-CG 4.42Å; Y34-L173 HydrophobicContact CE1-CD1 4.15Å; Y34-L173 HydrophobicContact CE1-CG 3.85Å; Y34-L173 HydrophobicContact CE2-CD1 4.06Å; Y34-L173 HydrophobicContact CG-CD1 3.7Å; Y34-L173 HydrophobicContact CG-CD2 4.12Å; Y34-L173 HydrophobicContact CG-CG 3.88Å; L35-L173 HydrophobicContact CD2-CD2 4.03Å; L35-L173 HydrophobicContact CG-CD2 3.95Å; Q38-L173 HydrophobicContact CG-CD1 3.34Å; I139-L173 HydrophobicContact CG2-CB 4.31Å; I139-L173 HydrophobicContact CG2-CD1 4.29Å; A140-L173 CarbonylContact O-C 3.59Å; A140-L173 WeakPolarHBondContact O-CA 3.41Å; T164-L173 WeakPolarHBondContact CA-O 3.13Å; T165-L173 HydrophobicContact CG2-CB 3.81Å; T165-L173 HydrophobicContact CG2-CD1 4.29Å; T165-L173 HydrophobicContact CG2-CG 4.36Å; T165-L173 PolarHBondContact N-O 2.91Å; T165-L173 PolarHBondContact OG1-N 3.18Å
174I98.9Very high98Very high1 Ų168.6 Ų68.61%0.00536%0.357CS..EExtended strand (participates in β ladder)trans-116.8125.7170.2-52.6165.6000106.5I139 A140 I147 T151 L152 F155 T162 T163I139-I174 CarbonylContact C-O 3.31Å; I139-I174 WeakPolarHBondContact CA-O 3.27Å; A140-I174 HydrophobicContact CB-CB 4.24Å; A140-I174 HydrophobicContact CB-CD1 4.45Å; A140-I174 PolarHBondContact N-O 2.82Å; A140-I174 PolarHBondContact O-N 3.23Å; I147-I174 HydrophobicContact CD1-CD1 4.21Å; I147-I174 HydrophobicContact CD1-CG1 4.04Å; I147-I174 HydrophobicContact CG2-CD1 3.99Å; I147-I174 HydrophobicContact CG2-CG1 4.22Å; T151-I174 HydrophobicContact CG2-CD1 3.91Å; L152-I174 HydrophobicContact CD2-CB 4.49Å; L152-I174 HydrophobicContact CD2-CD1 3.78Å; L152-I174 HydrophobicContact CD2-CG1 3.76Å; L152-I174 HydrophobicContact CD2-CG2 3.93Å; F155-I174 HydrophobicContact CD2-CD1 4.07Å; F155-I174 HydrophobicContact CD2-CG2 4.49Å; F155-I174 HydrophobicContact CE2-CD1 3.85Å; T162-I174 HydrophobicContact CG2-CG2 3.74Å; T163-I174 CarbonylContact O-C 3.58Å; T163-I174 WeakPolarHBondContact O-CA 3.47Å
175N98.8Very high97.9Very high29 Ų2973.9 Ų73.916%0.15538%0.383CS..EExtended strand (participates in β ladder)trans-98.5137164.4-61-89.1000107.8T162 T163T162-N175 CarbonylContact C-O 3.56Å; T162-N175 VanDerWaalsContact CA-O 3.27Å; T162-N175 WeakPolarHBondContact CA-O 3.49Å; T163-N175 PolarHBondContact N-O 3.36Å; T163-N175 PolarHBondContact O-N 3.04Å
176C98.8Very high97.9Very high5 Ų574.9 Ų74.93%0.03439%0.393CS..EExtended strand (participates in β ladder)trans-124.2132.5177.6-177.20000109.4I138 F155 L159 G160 T162I138-C176 HydrophobicContact CB-CB 4.18Å; I138-C176 HydrophobicContact CG2-CB 4.09Å; I138-C176 PolarHBondContact O-N 3.48Å; F155-C176 HydrophobicContact CD1-CB 3.98Å; L159-C176 VanDerWaalsContact CB-SG 3.58Å; G160-C176 PolarHBondContact O-SG 3.47Å; G160-C176 VanDerWaalsContact O-SG 3.4Å; T162-C176 HydrophobicContact CG2-CB 4.48Å
177T98.7Very high97.9Very high84 Ų8473.1 Ų73.152%0.51539%0.391SS..  trans-103120.3170.5-57.80000108G160 P161 N179G160-T177 WeakPolarHBondContact CA-O 3.15Å; P161-T177 WeakPolarHBondContact CD-O 3.26Å; P161-T177 PolarHBondContact O-N 2.96Å; P161-T177 VanDerWaalsContact O-N 3.16Å; T177-N179 PolarHBondContact O-N 2.99Å
178F98.8Very high97.9Very high18 Ų1873.8 Ų73.88%0.07938%0.382CS..  trans-68.1123.9179-175.8-115.3000110.5R129 V132 T133 I138 L159 E180R129-F178 HydrophobicContact CG-CE2 4.03Å; R129-F178 HydrophobicContact CG-CZ 4.23Å; V132-F178 HydrophobicContact CG2-CB 4.05Å; V132-F178 HydrophobicContact CG2-CD1 3.96Å; V132-F178 HydrophobicContact CG2-CD2 3.53Å; V132-F178 HydrophobicContact CG2-CE1 4.24Å; V132-F178 HydrophobicContact CG2-CE2 3.88Å; V132-F178 HydrophobicContact CG2-CG 3.57Å; V132-F178 HydrophobicContact CG2-CZ 4.21Å; T133-F178 WeakPolarHBondContact O-CB 3.3Å; I138-F178 HydrophobicContact CD1-CB 4.27Å; L159-F178 HydrophobicContact CB-CD2 4.19Å; L159-F178 HydrophobicContact CD2-CD2 4Å; L159-F178 HydrophobicContact CD2-CE2 4.1Å; L159-F178 WeakPolarHBondContact O-CA 3.47Å; L159-F178 WeakPolarHBondContact O-CD2 3.46Å; F178-E180 HydrophobicContact CE1-CB 3.82Å; F178-E180 HydrophobicContact CE1-CG 4.34Å; F178-E180 HydrophobicContact CE2-CB 4.21Å; F178-E180 HydrophobicContact CZ-CB 3.57Å; F178-E180 HydrophobicContact CZ-CG 3.81Å
179N97.8Very high97.9Very high97 Ų9772.2 Ų72.252%0.51938%0.38SS..  trans-129.914.4174.676.1-18.4000113L159 G160 P161 T177 P181L159-N179 PolarHBondContact O-N 3.14Å; L159-N179 PolarHBondContact O-OD1 3.37Å; G160-N179 WeakPolarHBondContact CA-OD1 3.32Å; P161-N179 VanDerWaalsContact CD-CG 3.47Å; P161-N179 WeakPolarHBondContact CD-ND2 3.34Å; T177-N179 PolarHBondContact O-N 2.99Å; N179-P181 VanDerWaalsContact OD1-CD 3.28Å; N179-P181 WeakPolarHBondContact OD1-CD 3.27Å
180E98Very high98.1Very high126 Ų12668.9 Ų68.959%0.58937%0.37SS*.  trans47.957.5177.8-161.9172.6-125.500113.6F178F178-E180 HydrophobicContact CE1-CB 3.82Å; F178-E180 HydrophobicContact CE1-CG 4.34Å; F178-E180 HydrophobicContact CE2-CB 4.21Å; F178-E180 HydrophobicContact CZ-CB 3.57Å; F178-E180 HydrophobicContact CZ-CG 3.81Å
181P98.4Very high98.2Very high27 Ų2763.5 Ų63.518%0.17536%0.355CS..  trans-61.7150-176.428.2-35.1000110.7R129 K157 L159 N179 L183R129-P181 VanDerWaalsContact NH1-CD 3.29Å; R129-P181 PolarHBondContact NH1-O 3.36Å; R129-P181 PolarHBondContact NH2-O 3.29Å; K157-P181 WeakPolarHBondContact O-CG 3.25Å; L159-P181 WeakPolarHBondContact O-CD 3.26Å; N179-P181 VanDerWaalsContact OD1-CD 3.28Å; N179-P181 WeakPolarHBondContact OD1-CD 3.27Å; P181-L183 PolarHBondContact O-N 3.32Å; P181-L183 VanDerWaalsContact O-N 3.12Å
182Q98.2Very high98.2Very high193 Ų19365.6 Ų65.690%0.90236%0.362SS*.  trans-57.2120.6177-17966.613.800110.2
183L98.4Very high98.2Very high27 Ų2769.7 Ų69.714%0.14138%0.382CS..  trans-140.1127.6-175.7-176.267.6000109.8R126 K157 V158 P181R126-L183 HydrophobicContact CG-CD2 4.35Å; K157-L183 HydrophobicContact CD-CD1 4.47Å; K157-L183 HydrophobicContact CG-CD1 3.87Å; V158-L183 HydrophobicContact CB-CD2 4.29Å; V158-L183 HydrophobicContact CG1-CD2 3.96Å; V158-L183 HydrophobicContact CG2-CD2 4.18Å; P181-L183 PolarHBondContact O-N 3.32Å; P181-L183 VanDerWaalsContact O-N 3.12Å
184A98.1Very high98.2Very high77 Ų7770.2 Ų70.264%0.63639%0.385SS*.  trans-72143.7171.600000111R126R126-A184 PolarHBondContact NH1-O 3.38Å
185D97Very high98.1Very high166 Ų16678 Ų7889%0.88842%0.421SS*.  trans-58.9147.2170.1-75.6-16.5000110.9
186A96.9Very high97.9Very high42 Ų4280.7 Ų80.735%0.34746%0.456SS..  trans-134.5146.6178.700000109.7
187P97.4Very high97.9Very high110 Ų11083 Ų8371%0.71447%0.47SS*.  trans-65.6148.2177.428.9-35.2000111.2T189P187-T189 PolarHBondContact O-N 3.48Å
188Q96.9Very high97.8Very high83 Ų8387 Ų8739%0.38849%0.488SS..SBendtrans-69.9-22.1175.5-71.6-66.7-53.800113
189T98.3Very high97.8Very high38 Ų3894.3 Ų94.323%0.23352%0.515CS..SBendtrans-124143.9-175.754.40000112P187 H202 N203P187-T189 PolarHBondContact O-N 3.48Å; T189-H202 HydrophobicContact CG2-CB 4.37Å; T189-N203 VanDerWaalsContact CA-O 3.28Å; T189-N203 WeakPolarHBondContact CA-O 3.36Å
190V98.4Very high97.9Very high55 Ų5593 Ų9333%0.33351%0.511SS..EExtended strand (participates in β ladder)trans-94.6135.2163.1165.80000108.7N203 R210V190-N203 PolarHBondContact N-O 3.35Å; V190-N203 PolarHBondContact O-N 3.04Å; V190-N203 PolarHBondContact O-ND2 3.23Å; V190-R210 VanDerWaalsContact CG2-NH1 3.33Å; V190-R210 VanDerWaalsContact CG2-NH2 3.27Å
191S98.6Very high97.9Very high60 Ų6089.3 Ų89.342%0.4250%0.495SS..EExtended strand (participates in β ladder)trans-124.2139.2-172.5-42.60000111.3I201 H202S191-I201 VanDerWaalsContact CA-O 3.22Å; S191-I201 WeakPolarHBondContact CA-O 3.5Å; S191-H202 WeakPolarHBondContact CB-ND1 3.36Å; S191-H202 PolarHBondContact OG-ND1 2.85Å
192W98.6Very high97.9Very high45 Ų4593.6 Ų93.617%0.1751%0.512CS..EExtended strand (participates in β ladder)trans-145153.3175.945.1-94.5000110.9L194 I201 N203 R210 G212 L213W192-L194 HydrophobicContact CZ3-CB 4.28Å; W192-L194 HydrophobicContact CZ3-CD1 4.09Å; W192-I201 HydrophobicContact CD2-CB 4.16Å; W192-I201 HydrophobicContact CE3-CB 4.1Å; W192-I201 HydrophobicContact CE3-CG1 4.11Å; W192-I201 HydrophobicContact CH2-CB 3.82Å; W192-I201 HydrophobicContact CH2-CG1 3.75Å; W192-I201 HydrophobicContact CH2-CG2 3.92Å; W192-I201 HydrophobicContact CZ2-CB 3.89Å; W192-I201 HydrophobicContact CZ2-CG1 4.34Å; W192-I201 HydrophobicContact CZ2-CG2 3.74Å; W192-I201 HydrophobicContact CZ3-CB 3.93Å; W192-I201 HydrophobicContact CZ3-CG1 3.61Å; W192-I201 PolarHBondContact N-O 3.12Å; W192-I201 VanDerWaalsContact N-O 3.09Å; W192-I201 PolarHBondContact O-N 2.88Å; W192-N203 PolarHBondContact NE1-ND2 2.99Å; W192-R210 PolarHBondContact NE1-O 3.07Å; W192-R210 VanDerWaalsContact NE1-O 3.12Å; W192-G212 VanDerWaalsContact CE2-CA 3.45Å; W192-G212 VanDerWaalsContact CZ2-C 3.4Å; W192-L213 HydrophobicContact CH2-CB 3.88Å; W192-L213 HydrophobicContact CH2-CD1 4.32Å; W192-L213 HydrophobicContact CZ3-CB 3.87Å
193K98.5Very high97.9Very high181 Ų18185 Ų8579%0.78747%0.472SS*.EExtended strand (participates in β ladder)trans-79135.2177.5-66.2-171.5177.1-173.30110
194L98.2Very high98Very high11 Ų1187.9 Ų87.96%0.05849%0.485CS..PPolyproline II helixtrans-83.6116.3172.9176.366.8000109.5W192 G196 T197 W199 I201 L213 M221W192-L194 HydrophobicContact CZ3-CB 4.28Å; W192-L194 HydrophobicContact CZ3-CD1 4.09Å; L194-G196 PolarHBondContact O-N 2.85Å; L194-T197 WeakPolarHBondContact CB-OG1 3.22Å; L194-T197 HydrophobicContact CD2-CG2 3.76Å; L194-T197 HydrophobicContact CG-CG2 3.99Å; L194-T197 PolarHBondContact O-N 3.31Å; L194-T197 PolarHBondContact O-OG1 3.38Å; L194-W199 HydrophobicContact CB-CB 4.38Å; L194-W199 HydrophobicContact CD2-CD2 4.46Å; L194-W199 HydrophobicContact CD2-CE3 3.54Å; L194-W199 HydrophobicContact CD2-CZ3 4.13Å; L194-W199 PolarHBondContact N-O 3.09Å; L194-I201 HydrophobicContact CB-CD1 4.43Å; L194-I201 HydrophobicContact CB-CG1 4.06Å; L194-L213 HydrophobicContact CD1-CB 4.5Å; L194-L213 HydrophobicContact CD1-CD1 4.07Å; L194-L213 HydrophobicContact CD1-CD2 3.71Å; L194-L213 HydrophobicContact CD1-CG 4.31Å; L194-M221 HydrophobicContact CD2-CE 4.26Å
195E96.3Very high98Very high164 Ų16484.7 Ų84.777%0.76646%0.459SS*.THydrogen-bonded Turntrans-54.2137.2179.7-173.6-178-171.500111.8T197E195-T197 VanDerWaalsContact C-N 3.28Å; E195-T197 PolarHBondContact O-N 3.4Å
196G96.3Very high98Very high85 Ų8579.5 Ų79.588%0.87643%0.431SS*.THydrogen-bonded Turntrans77.58.3-179.400000114.9L194L194-G196 PolarHBondContact O-N 2.85Å
197T97.5Very high98.1Very high53 Ų5380.7 Ų80.733%0.32543%0.434SS..SBendtrans-138.6166.8-179.374.90000112L194 E195 W199L194-T197 WeakPolarHBondContact CB-OG1 3.22Å; L194-T197 HydrophobicContact CD2-CG2 3.76Å; L194-T197 HydrophobicContact CG-CG2 3.99Å; L194-T197 PolarHBondContact O-N 3.31Å; L194-T197 PolarHBondContact O-OG1 3.38Å; E195-T197 VanDerWaalsContact C-N 3.28Å; E195-T197 PolarHBondContact O-N 3.4Å; T197-W199 HydrophobicContact CG2-CE3 4.42Å; T197-W199 WeakPolarHBondContact OG1-CB 3.42Å; T197-W199 PolarHBondContact OG1-N 2.76Å; T197-W199 VanDerWaalsContact OG1-N 3.1Å
198D98.2Very high98.1Very high170 Ų17083 Ų8391%0.90943%0.433SS*.SBendtrans-858167.6-64.1-44.1000112.8
199W98.5Very high98.2Very high170 Ų17081 Ų8164%0.64443%0.428SS*.  trans-85.7140.9-173-58.4-15.5000112.7L194 T197 I201L194-W199 HydrophobicContact CB-CB 4.38Å; L194-W199 HydrophobicContact CD2-CD2 4.46Å; L194-W199 HydrophobicContact CD2-CE3 3.54Å; L194-W199 HydrophobicContact CD2-CZ3 4.13Å; L194-W199 PolarHBondContact N-O 3.09Å; T197-W199 HydrophobicContact CG2-CE3 4.42Å; T197-W199 WeakPolarHBondContact OG1-CB 3.42Å; T197-W199 PolarHBondContact OG1-N 2.76Å; T197-W199 VanDerWaalsContact OG1-N 3.1Å; W199-I201 HydrophobicContact CB-CD1 4.25Å
200T98.7Very high98.2Very high69 Ų6981.4 Ų81.442%0.42343%0.425SS..EExtended strand (participates in β ladder)trans-112.2124.7167.3-60.60000108.4
201I98.6Very high98.1Very high50 Ų5084.1 Ų84.126%0.25644%0.442SS..EExtended strand (participates in β ladder)trans-100127.6-176.3-50.6-55.5000109S191 W192 L194 W199 N203S191-I201 VanDerWaalsContact CA-O 3.22Å; S191-I201 WeakPolarHBondContact CA-O 3.5Å; W192-I201 HydrophobicContact CD2-CB 4.16Å; W192-I201 HydrophobicContact CE3-CB 4.1Å; W192-I201 HydrophobicContact CE3-CG1 4.11Å; W192-I201 HydrophobicContact CH2-CB 3.82Å; W192-I201 HydrophobicContact CH2-CG1 3.75Å; W192-I201 HydrophobicContact CH2-CG2 3.92Å; W192-I201 HydrophobicContact CZ2-CB 3.89Å; W192-I201 HydrophobicContact CZ2-CG1 4.34Å; W192-I201 HydrophobicContact CZ2-CG2 3.74Å; W192-I201 HydrophobicContact CZ3-CB 3.93Å; W192-I201 HydrophobicContact CZ3-CG1 3.61Å; W192-I201 PolarHBondContact N-O 3.12Å; W192-I201 VanDerWaalsContact N-O 3.09Å; W192-I201 PolarHBondContact O-N 2.88Å; L194-I201 HydrophobicContact CB-CD1 4.43Å; L194-I201 HydrophobicContact CB-CG1 4.06Å; W199-I201 HydrophobicContact CB-CD1 4.25Å; I201-N203 PolarHBondContact O-ND2 3.18Å
202H98.7Very high98.1Very high116 Ų11682.3 Ų82.354%0.53743%0.433SS..EExtended strand (participates in β ladder)trans-109.6133.8-179.9-55.8-77.6000110.4T189 S191T189-H202 HydrophobicContact CG2-CB 4.37Å; S191-H202 WeakPolarHBondContact CB-ND1 3.36Å; S191-H202 PolarHBondContact OG-ND1 2.85Å
203N98.8Very high98.1Very high12 Ų1282.7 Ų82.76%0.06444%0.438CS..EExtended strand (participates in β ladder)trans-131.3120.8-171.3-58.8-95.1000111.7T189 V190 W192 I201 V207 R210T189-N203 VanDerWaalsContact CA-O 3.28Å; T189-N203 WeakPolarHBondContact CA-O 3.36Å; V190-N203 PolarHBondContact N-O 3.35Å; V190-N203 PolarHBondContact O-N 3.04Å; V190-N203 PolarHBondContact O-ND2 3.23Å; W192-N203 PolarHBondContact NE1-ND2 2.99Å; I201-N203 PolarHBondContact O-ND2 3.18Å; N203-V207 HydrophobicContact CB-CB 4.26Å; N203-V207 HydrophobicContact CB-CG1 4.33Å; N203-R210 HydrophobicContact CB-CB 3.55Å; N203-R210 WeakPolarHBondContact CB-O 3.22Å; N203-R210 PolarHBondContact ND2-O 3.33Å; N203-R210 PolarHBondContact O-NH2 3.13Å; N203-R210 VanDerWaalsContact O-NH2 3.11Å
204H98.7Very high98.1Very high88 Ų8876.2 Ų76.241%0.40741%0.412SS..  trans-67.2173.8170.7-78.1-80.4000112.2N206 V207 R210H204-N206 VanDerWaalsContact C-N 3.32Å; H204-N206 PolarHBondContact O-N 3.36Å; H204-V207 HydrophobicContact CB-CG2 3.99Å; H204-V207 PolarHBondContact O-N 3.1Å; H204-R210 PolarHBondContact O-NE 2.81Å
205A98.2Very high98.1Very high10 Ų1081.3 Ų81.38%0.08344%0.438CS..THydrogen-bonded Turntrans-61.1-33.8-164.600000114.9A119 Q123 R210A119-A205 VanDerWaalsContact CB-O 3.27Å; A119-A205 WeakPolarHBondContact CB-O 3.49Å; Q123-A205 HydrophobicContact CB-CB 3.55Å; Q123-A205 HydrophobicContact CG-CB 3.99Å; A205-R210 WeakPolarHBondContact O-CD 3.44Å; A205-R210 PolarHBondContact O-NE 3.25Å
206N98.5Very high98.1Very high58 Ų5875.4 Ų75.431%0.3142%0.421SS..THydrogen-bonded Turntrans-111.19.8-174.6-161.944.3000113.8D72 T117 L120 H204D72-N206 VanDerWaalsContact OD2-CB 3.25Å; D72-N206 WeakPolarHBondContact OD2-CB 3.38Å; D72-N206 PolarHBondContact OD2-ND2 2.77Å; T117-N206 PolarHBondContact OG1-OD1 3.15Å; L120-N206 HydrophobicContact CB-CB 4.09Å; L120-N206 HydrophobicContact CD1-CB 4.15Å; L120-N206 HydrophobicContact CD2-CB 4.02Å; L120-N206 HydrophobicContact CG-CB 4.3Å; H204-N206 VanDerWaalsContact C-N 3.32Å; H204-N206 PolarHBondContact O-N 3.36Å
207V98.4Very high98.2Very high66 Ų6673.3 Ų73.340%0.440%0.395SS..  trans-66.3135.9178.1176.50000110.4N203 H204 R210N203-V207 HydrophobicContact CB-CB 4.26Å; N203-V207 HydrophobicContact CB-CG1 4.33Å; H204-V207 HydrophobicContact CB-CG2 3.99Å; H204-V207 PolarHBondContact O-N 3.1Å; V207-R210 HydrophobicContact CB-CB 4.27Å; V207-R210 WeakPolarHBondContact O-CB 3.34Å; V207-R210 PolarHBondContact O-N 3.49Å
208F98.1Very high98.2Very high159 Ų15976.5 Ų76.570%0.69740%0.401SS*.THydrogen-bonded Turntrans-59.1136.9175.5173.7-101.1000111.1R210 D214F208-R210 PolarHBondContact O-N 3.42Å; F208-R210 VanDerWaalsContact O-N 3.15Å; F208-D214 HydrophobicContact CE1-CB 3.76Å; F208-D214 HydrophobicContact CZ-CB 4.46Å
209S97.5Very high98.2Very high42 Ų4274.4 Ų74.429%0.29438%0.384SS..THydrogen-bonded Turntrans5134.4-177.4-161.50000114.3T211 G212 D214S209-T211 PolarHBondContact O-N 2.9Å; S209-G212 PolarHBondContact O-N 3.11Å; S209-G212 VanDerWaalsContact O-N 3.11Å; S209-G212 PolarHBondContact OG-O 3.45Å; S209-D214 PolarHBondContact OG-N 3Å
210R98.3Very high98.2Very high46 Ų4672.5 Ų72.517%0.17438%0.381CS..THydrogen-bonded Turntrans-55.1-20.5-172.863.5-177-54.3-80.6-3.9117.2V190 W192 N203 H204 A205 V207 F208V190-R210 VanDerWaalsContact CG2-NH1 3.33Å; V190-R210 VanDerWaalsContact CG2-NH2 3.27Å; W192-R210 PolarHBondContact NE1-O 3.07Å; W192-R210 VanDerWaalsContact NE1-O 3.12Å; N203-R210 HydrophobicContact CB-CB 3.55Å; N203-R210 WeakPolarHBondContact CB-O 3.22Å; N203-R210 PolarHBondContact ND2-O 3.33Å; N203-R210 PolarHBondContact O-NH2 3.13Å; N203-R210 VanDerWaalsContact O-NH2 3.11Å; H204-R210 PolarHBondContact O-NE 2.81Å; A205-R210 WeakPolarHBondContact O-CD 3.44Å; A205-R210 PolarHBondContact O-NE 3.25Å; V207-R210 HydrophobicContact CB-CB 4.27Å; V207-R210 WeakPolarHBondContact O-CB 3.34Å; V207-R210 PolarHBondContact O-N 3.49Å; F208-R210 PolarHBondContact O-N 3.42Å; F208-R210 VanDerWaalsContact O-N 3.15Å
211T97.9Very high98.1Very high111 Ų11173.4 Ų73.468%0.68138%0.381SS*.THydrogen-bonded Turntrans-90.3-7.3-177.450.80000114.4S209S209-T211 PolarHBondContact O-N 2.9Å
212G97.9Very high98Very high22 Ų2277.3 Ų77.323%0.22740%0.399CS..SBendtrans178.5170.8179.600000113.1W192 S209 D214W192-G212 VanDerWaalsContact CE2-CA 3.45Å; W192-G212 VanDerWaalsContact CZ2-C 3.4Å; S209-G212 PolarHBondContact O-N 3.11Å; S209-G212 VanDerWaalsContact O-N 3.11Å; S209-G212 PolarHBondContact OG-O 3.45Å; G212-D214 PolarHBondContact O-N 3.39Å
213L98.2Very high97.9Very high53 Ų5377.3 Ų77.328%0.27740%0.399SS..  trans-60.4123.9176.7-179.563.4000111.2W192 L194 A217 R218 M221W192-L213 HydrophobicContact CH2-CB 3.88Å; W192-L213 HydrophobicContact CH2-CD1 4.32Å; W192-L213 HydrophobicContact CZ3-CB 3.87Å; L194-L213 HydrophobicContact CD1-CB 4.5Å; L194-L213 HydrophobicContact CD1-CD1 4.07Å; L194-L213 HydrophobicContact CD1-CD2 3.71Å; L194-L213 HydrophobicContact CD1-CG 4.31Å; L213-A217 HydrophobicContact CD1-CB 4.29Å; L213-R218 HydrophobicContact CD2-CB 3.62Å; L213-R218 HydrophobicContact CD2-CG 3.71Å; L213-R218 HydrophobicContact CG-CB 4Å; L213-M221 HydrophobicContact CD1-SD 4.22Å
214D98.3Very high97.8Very high45 Ų4581 Ų8124%0.24142%0.418CS..  trans-61.7137172.2172.8-108.2000110.8F208 S209 G212 G216 A217 R218F208-D214 HydrophobicContact CE1-CB 3.76Å; F208-D214 HydrophobicContact CZ-CB 4.46Å; S209-D214 PolarHBondContact OG-N 3Å; G212-D214 PolarHBondContact O-N 3.39Å; D214-G216 VanDerWaalsContact C-N 3.28Å; D214-G216 PolarHBondContact O-N 2.87Å; D214-G216 WeakPolarHBondContact OD1-CA 3.23Å; D214-G216 PolarHBondContact OD1-N 2.86Å; D214-A217 HydrophobicContact CB-CB 4.04Å; D214-A217 PolarHBondContact O-N 2.82Å; D214-A217 PolarHBondContact OD1-N 3.37Å; D214-R218 WeakPolarHBondContact O-CB 3.43Å; D214-R218 PolarHBondContact O-N 3.45Å
215I97.6Very high97.7Very high119 Ų11980.7 Ų80.761%0.6142%0.424SS*.Hα-helixtrans-68.6-28.9-176.761173.4000112.5F219I215-F219 PolarHBondContact O-N 3.2Å; I215-F219 VanDerWaalsContact O-N 3.11Å
216G98.2Very high97.6Very high40 Ų4088 Ų8841%0.41246%0.456SS..Hα-helixtrans-70-47.9174.200000111.1D214 R218 F219 F220D214-G216 VanDerWaalsContact C-N 3.28Å; D214-G216 PolarHBondContact O-N 2.87Å; D214-G216 WeakPolarHBondContact OD1-CA 3.23Å; D214-G216 PolarHBondContact OD1-N 2.86Å; G216-R218 VanDerWaalsContact C-N 3.31Å; G216-R218 PolarHBondContact O-N 3.35Å; G216-F219 PolarHBondContact O-N 3.34Å; G216-F220 WeakPolarHBondContact O-CB 3.43Å; G216-F220 PolarHBondContact O-N 3.13Å
217A98Very high97.3Very high40 Ų4092.7 Ų92.733%0.33148%0.481SS..Hα-helixtrans-58.3-43.1172.600000111.6L213 D214 F219 F220 M221L213-A217 HydrophobicContact CD1-CB 4.29Å; D214-A217 HydrophobicContact CB-CB 4.04Å; D214-A217 PolarHBondContact O-N 2.82Å; D214-A217 PolarHBondContact OD1-N 3.37Å; A217-F219 VanDerWaalsContact C-N 3.3Å; A217-F219 PolarHBondContact O-N 2.9Å; A217-F220 PolarHBondContact O-N 3.39Å; A217-F220 VanDerWaalsContact O-N 3.16Å; A217-M221 VanDerWaalsContact O-CG 3.23Å; A217-M221 WeakPolarHBondContact O-CG 3.2Å; A217-M221 PolarHBondContact O-N 2.89Å
218R97.5Very high96.6Very high120 Ų12096.3 Ų96.345%0.45350%0.498SS..Hα-helixtrans-58.9-39.8176.1-172.1175.262.8-170.5-1.7112.7L213 D214 G216 Q222L213-R218 HydrophobicContact CD2-CB 3.62Å; L213-R218 HydrophobicContact CD2-CG 3.71Å; L213-R218 HydrophobicContact CG-CB 4Å; D214-R218 WeakPolarHBondContact O-CB 3.43Å; D214-R218 PolarHBondContact O-N 3.45Å; G216-R218 VanDerWaalsContact C-N 3.31Å; G216-R218 PolarHBondContact O-N 3.35Å; R218-Q222 PolarHBondContact O-NE2 3.16Å
219F97.9Very high95.4Very high126 Ų126101.5 Ų101.555%0.55352%0.524SS*.Hα-helixtrans-72-42.2175.4-178.5-114.4000111.1I215 G216 A217 M221 Q222 H223I215-F219 PolarHBondContact O-N 3.2Å; I215-F219 VanDerWaalsContact O-N 3.11Å; G216-F219 PolarHBondContact O-N 3.34Å; A217-F219 VanDerWaalsContact C-N 3.3Å; A217-F219 PolarHBondContact O-N 2.9Å; F219-M221 VanDerWaalsContact C-N 3.33Å; F219-M221 PolarHBondContact O-N 3.09Å; F219-Q222 WeakPolarHBondContact O-CB 3.49Å; F219-Q222 PolarHBondContact O-N 3.48Å; F219-Q222 VanDerWaalsContact O-N 3.14Å; F219-H223 AromaticContact CE2-CD2 3.87Å; F219-H223 AromaticContact CE2-NE2 3.42Å; F219-H223 WeakPolarHBondContact CE2-NE2 3.46Å; F219-H223 AromaticContact CZ-CD2 3.71Å; F219-H223 AromaticContact CZ-NE2 3.46Å; F219-H223 WeakPolarHBondContact CZ-NE2 3.42Å; F219-H223 PolarHBondContact O-CD2 3.5Å
220F97.8Very high95.3Very high131 Ų131104.5 Ų104.558%0.57554%0.535SS*.Hα-helixtrans-63.3-38.6-179.1-171.1-162.1000112.5G216 A217 Q222 H223 L224G216-F220 WeakPolarHBondContact O-CB 3.43Å; G216-F220 PolarHBondContact O-N 3.13Å; A217-F220 PolarHBondContact O-N 3.39Å; A217-F220 VanDerWaalsContact O-N 3.16Å; F220-Q222 PolarHBondContact O-N 2.85Å; F220-Q222 VanDerWaalsContact O-N 3.09Å; F220-H223 CarbonylContact O-C 3.41Å; F220-H223 WeakPolarHBondContact O-CA 3.41Å; F220-H223 PolarHBondContact O-N 3.18Å; F220-L224 HydrophobicContact CD2-CD2 4.31Å; F220-L224 HydrophobicContact CE1-CD2 4.26Å; F220-L224 HydrophobicContact CE2-CD2 3.97Å; F220-L224 HydrophobicContact CZ-CD2 3.95Å; F220-L224 PolarHBondContact O-N 3.42Å; F220-L224 VanDerWaalsContact O-N 3.13Å
221M96.6Very high95.2Very high87 Ų87107.5 Ų107.543%0.42956%0.555SS.*G310 helixtrans-55.8-27.3175.9-74.5167.56600113.5L194 L213 A217 F219 H223 L224L194-M221 HydrophobicContact CD2-CE 4.26Å; L213-M221 HydrophobicContact CD1-SD 4.22Å; A217-M221 VanDerWaalsContact O-CG 3.23Å; A217-M221 WeakPolarHBondContact O-CG 3.2Å; A217-M221 PolarHBondContact O-N 2.89Å; F219-M221 VanDerWaalsContact C-N 3.33Å; F219-M221 PolarHBondContact O-N 3.09Å; M221-H223 PolarHBondContact O-N 3.14Å; M221-L224 HydrophobicContact CG-CD1 4.38Å
222Q96.4Very high95Very high133 Ų133107.3 Ų107.362%0.62155%0.548SS*.G310 helixtrans-76.2-10.8177.6-60.1172.544.300113.2R218 F219 F220R218-Q222 PolarHBondContact O-NE2 3.16Å; F219-Q222 WeakPolarHBondContact O-CB 3.49Å; F219-Q222 PolarHBondContact O-N 3.48Å; F219-Q222 VanDerWaalsContact O-N 3.14Å; F220-Q222 PolarHBondContact O-N 2.85Å; F220-Q222 VanDerWaalsContact O-N 3.09Å
223H97.1Very high94.8Very high116 Ų116112.4 Ų112.454%0.53757%0.566SS.*G310 helixtrans-131.417.6-174.9-59.2-62000112.2F219 F220 M221F219-H223 AromaticContact CE2-CD2 3.87Å; F219-H223 AromaticContact CE2-NE2 3.42Å; F219-H223 WeakPolarHBondContact CE2-NE2 3.46Å; F219-H223 AromaticContact CZ-CD2 3.71Å; F219-H223 AromaticContact CZ-NE2 3.46Å; F219-H223 WeakPolarHBondContact CZ-NE2 3.42Å; F219-H223 PolarHBondContact O-CD2 3.5Å; F220-H223 CarbonylContact O-C 3.41Å; F220-H223 WeakPolarHBondContact O-CA 3.41Å; F220-H223 PolarHBondContact O-N 3.18Å; M221-H223 PolarHBondContact O-N 3.14Å
224L97.1Very high94.6Very high89 Ų89116.1 Ų116.147%0.46658%0.584SS.*  trans-63.2139.4172.8-78.3173.2000109.2F220 M221 E226F220-L224 HydrophobicContact CD2-CD2 4.31Å; F220-L224 HydrophobicContact CE1-CD2 4.26Å; F220-L224 HydrophobicContact CE2-CD2 3.97Å; F220-L224 HydrophobicContact CZ-CD2 3.95Å; F220-L224 PolarHBondContact O-N 3.42Å; F220-L224 VanDerWaalsContact O-N 3.13Å; M221-L224 HydrophobicContact CG-CD1 4.38Å; L224-E226 PolarHBondContact O-N 3.22Å
225P96.9Very high94.4Very high82 Ų82120.8 Ų120.853%0.53261%0.607SS.*  trans-63137.5175.128-34.8000109.8L228P225-L228 HydrophobicContact CB-CD1 4.38Å; P225-L228 HydrophobicContact CB-CD2 3.81Å; P225-L228 HydrophobicContact CB-CG 4.09Å; P225-L228 HydrophobicContact CG-CD1 3.93Å; P225-L228 HydrophobicContact CG-CD2 4.09Å; P225-L228 HydrophobicContact CG-CG 4.19Å
226E94.9Very high94.1Very high164 Ų164120.9 Ų120.977%0.76661%0.607SS**  trans-109.1152.3171.4-63.2176.8-175.500108.7L224L224-E226 PolarHBondContact O-N 3.22Å
227N92.1Very high93.8Very high155 Ų155127.2 Ų127.283%0.82962%0.622SS**SBendtrans58.446.9176.9-47.8-56.5000114E229N227-E229 PolarHBondContact O-N 3.11Å
228L85.5Confident93.5Very high143 Ų143134.4 Ų134.475%0.74965%0.646SS**  trans-66.8119.7169.7-67.3172.1000109.7P225P225-L228 HydrophobicContact CB-CD1 4.38Å; P225-L228 HydrophobicContact CB-CD2 3.81Å; P225-L228 HydrophobicContact CB-CG 4.09Å; P225-L228 HydrophobicContact CG-CD1 3.93Å; P225-L228 HydrophobicContact CG-CD2 4.09Å; P225-L228 HydrophobicContact CG-CG 4.19Å
229E72.2Confident93.1Very high267 Ų267135.7 Ų135.7100%1.24866%0.664SS**  trans-79.50170.6-70.3-173.6166.500112.6N227N227-E229 PolarHBondContact O-N 3.11Å

Retrieved 229 of 229 residues in 122.4 ms (Link to these results)

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