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Ribonuclease inhibitor

Ribonuclease inhibitor which inhibits RNASE1, RNASE2 and angiogenin (ANG). May play a role in redox homeostasis. Required to inhibit the cytotoxic tRNA ribonuclease activity of ANG in the cytoplasm in absence of stress. Relocates to the nucleus in response to stress, relieving inhibition of ANG in the cytoplasm, and inhibiting the angiogenic activity of ANG in the nucleus.

AlphaFold DB , UniProt , Accession A0A093HGY8, Species STRCA (Struthio camelus australis), Gene n/a, Length 456 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M84.9Confident92.7Very high121 Ų12184.6 Ų84.660%0.59643%0.43SS*.  0139.30-175.8166.16200107.8T21 S24 C25 K26M1-T21 HydrophobicContact CE-CG2 3.51Å; M1-T21 WeakPolarHBondContact CE-O 3.23Å; M1-T21 HydrophobicContact SD-CG2 3.99Å; M1-S24 WeakPolarHBondContact CE-OG 3.29Å; M1-C25 WeakPolarHBondContact O-CA 3.34Å; M1-K26 PolarHBondContact O-N 2.67Å
2E95.1Very high92.5Very high148 Ų14886.8 Ų86.869%0.69245%0.454SS*.EExtended strand (participates in β ladder)trans-120.4135.9178.5-60.4-176.9177.200107.3
3L97.1Very high92.5Very high21 Ų2186.5 Ų86.511%0.1146%0.464CS..EExtended strand (participates in β ladder)trans-112.7121.3172.9177.365.8000107.1I5 L18 M22 T27 I28 R29 L30L3-I5 HydrophobicContact CD1-CD1 4.05Å; L3-I5 HydrophobicContact CD1-CG1 4.06Å; L3-I5 HydrophobicContact CG-CG1 4.44Å; L3-L18 HydrophobicContact CD1-CD2 3.92Å; L3-L18 HydrophobicContact CD2-CD2 4.26Å; L3-M22 HydrophobicContact CD2-CE 4Å; L3-M22 HydrophobicContact CD2-CG 3.68Å; L3-T27 PolarHBondContact N-O 2.79Å; L3-I28 HydrophobicContact CD2-CG2 4.44Å; L3-I28 CarbonylContact O-C 3.59Å; L3-R29 PolarHBondContact O-N 3.46Å; L3-L30 HydrophobicContact CD2-CD2 4.26Å
4D97.3Very high92.5Very high88 Ų8886.6 Ų86.647%0.47145%0.454SS..EExtended strand (participates in β ladder)trans-133.5114.1177.8-167.1-19.1000108.7Q6 R29D4-Q6 WeakPolarHBondContact OD1-CG 3.49Å; D4-Q6 PolarHBondContact OD1-NE2 2.95Å; D4-Q6 PolarHBondContact OD2-NE2 3.49Å; D4-R29 WeakPolarHBondContact CA-O 3.18Å; D4-R29 HydrophobicContact CB-CB 4.41Å; D4-R29 WeakPolarHBondContact OD1-CD 3.29Å; D4-R29 IonicContact OD1-NH1 3.5Å; D4-R29 IonicContact OD2-NH1 3.63Å
5I96.8Very high92.7Very high11 Ų1181.9 Ų81.96%0.05643%0.428CS..EExtended strand (participates in β ladder)trans-130.2131.6175.8-52.4-178.4000107L3 E8 M10 L18 R29 L30 D31L3-I5 HydrophobicContact CD1-CD1 4.05Å; L3-I5 HydrophobicContact CD1-CG1 4.06Å; L3-I5 HydrophobicContact CG-CG1 4.44Å; I5-E8 HydrophobicContact CG2-CB 3.87Å; I5-E8 HydrophobicContact CG2-CG 4.35Å; I5-M10 HydrophobicContact CD1-CE 3.75Å; I5-M10 HydrophobicContact CG2-CE 4.2Å; I5-L18 HydrophobicContact CD1-CD1 3.45Å; I5-L18 VanDerWaalsContact CD1-CD1 3.45Å; I5-L18 HydrophobicContact CD1-CD2 4.19Å; I5-L18 HydrophobicContact CD1-CG 4.48Å; I5-R29 PolarHBondContact N-O 3.28Å; I5-L30 HydrophobicContact CB-CD2 4.05Å; I5-L30 HydrophobicContact CD1-CD2 3.95Å; I5-L30 HydrophobicContact CG1-CD2 4.15Å; I5-L30 CarbonylContact O-C 3.57Å; I5-L30 WeakPolarHBondContact O-CA 3.26Å; I5-D31 PolarHBondContact O-N 3Å
6Q96.4Very high92.7Very high86 Ų8680.6 Ų80.640%0.40243%0.433SS..EExtended strand (participates in β ladder)trans-137.6137.8-176.7-64.6169.368.900109.7D4 E8 R29 D31D4-Q6 WeakPolarHBondContact OD1-CG 3.49Å; D4-Q6 PolarHBondContact OD1-NE2 2.95Å; D4-Q6 PolarHBondContact OD2-NE2 3.49Å; Q6-E8 PolarHBondContact O-N 3.46Å; Q6-R29 VanDerWaalsContact CD-NH2 3.31Å; Q6-D31 CarbonylContact C-O 3.58Å; Q6-D31 WeakPolarHBondContact CA-O 3.29Å; Q6-D31 HydrophobicContact CB-CB 4.25Å; Q6-D31 HydrophobicContact CG-CB 3.71Å
7C94.5Very high92.7Very high99 Ų9983.8 Ų83.867%0.66945%0.445SS*.SBendtrans53.636.4173.4-58.20000114.1D31 D32C7-D31 PolarHBondContact N-O 3.19Å; C7-D32 VanDerWaalsContact CA-O 3.28Å; C7-D32 WeakPolarHBondContact CA-O 3.41Å; C7-D32 PolarHBondContact N-O 3.47Å; C7-D32 PolarHBondContact SG-OD2 3.1Å; C7-D32 VanDerWaalsContact SG-OD2 3.35Å
8E92.8Very high92.9Very high81 Ų8180.3 Ų80.338%0.37943%0.426SS..  trans-126.6127.2179.8-74.8-173.9-161.300111.2I5 Q6 M10 R14 D32 C33I5-E8 HydrophobicContact CG2-CB 3.87Å; I5-E8 HydrophobicContact CG2-CG 4.35Å; Q6-E8 PolarHBondContact O-N 3.46Å; E8-M10 PolarHBondContact O-N 3.13Å; E8-R14 IonicContact OE2-CZ 2.75Å; E8-R14 IonicContact OE2-NH1 3.1Å; E8-R14 PolarHBondContact OE2-NH1 2.71Å; E8-R14 IonicContact OE2-NH2 2.79Å; E8-R14 PolarHBondContact OE2-NH2 3.47Å; E8-D32 PolarHBondContact N-O 3.2Å; E8-C33 VanDerWaalsContact O-CA 3.29Å; E8-C33 WeakPolarHBondContact O-CA 3.41Å
9E87Confident93Very high161 Ų16177.9 Ų77.975%0.75241%0.413SS*.  trans-65.2126.2175.9-71.1-172.3178.800112.2N11E9-N11 PolarHBondContact O-N 3.32Å
10M88.2Confident92.9Very high31 Ų3178.1 Ų78.115%0.15342%0.421CS..  trans-92.4102.5-178.2-162.4605900112.2I5 E8 R14 W15 L18 C33 L35I5-M10 HydrophobicContact CD1-CE 3.75Å; I5-M10 HydrophobicContact CG2-CE 4.2Å; E8-M10 PolarHBondContact O-N 3.13Å; M10-R14 HydrophobicContact SD-CB 4.06Å; M10-R14 HydrophobicContact SD-CG 3.75Å; M10-W15 HydrophobicContact CG-CB 4.07Å; M10-W15 HydrophobicContact CG-CE3 3.75Å; M10-W15 HydrophobicContact SD-CE3 4.49Å; M10-L18 HydrophobicContact CE-CD1 3.62Å; M10-L18 HydrophobicContact SD-CD1 3.53Å; M10-L18 VanDerWaalsContact SD-CD1 3.53Å; M10-C33 WeakPolarHBondContact CB-O 3.44Å; M10-C33 PolarHBondContact N-O 3.24Å; M10-L35 HydrophobicContact CB-CD2 4.39Å
11N89.3Confident93Very high84 Ų8476.6 Ų76.645%0.44941%0.414SS..  trans-76.8157.6172.475.557.5000112.2E9 S13 R14 W15E9-N11 PolarHBondContact O-N 3.32Å; N11-S13 VanDerWaalsContact C-N 3.34Å; N11-S13 PolarHBondContact O-N 2.96Å; N11-S13 PolarHBondContact OD1-N 2.92Å; N11-S13 VanDerWaalsContact OD1-N 3.15Å; N11-R14 PolarHBondContact O-N 3.32Å; N11-R14 WeakPolarHBondContact OD1-CB 3.43Å; N11-R14 PolarHBondContact OD1-N 2.84Å; N11-W15 PolarHBondContact O-N 3.05Å
12P91.1Very high93.5Very high110 Ų11070.8 Ų70.871%0.71439%0.386SS*.Hα-helixtrans-60.8-34.6-175-26.935.7000115.4W15 A16P12-W15 PolarHBondContact O-N 3.49Å; P12-A16 WeakPolarHBondContact O-CB 3.48Å; P12-A16 PolarHBondContact O-N 3.02Å
13S91.4Very high93.5Very high84 Ų8468.9 Ų68.959%0.58738%0.375SS*.Hα-helixtrans-68.2-47.3179.3-590000110.8N11 W15 A16 E17N11-S13 VanDerWaalsContact C-N 3.34Å; N11-S13 PolarHBondContact O-N 2.96Å; N11-S13 PolarHBondContact OD1-N 2.92Å; N11-S13 VanDerWaalsContact OD1-N 3.15Å; S13-W15 VanDerWaalsContact C-N 3.32Å; S13-W15 PolarHBondContact O-N 3.43Å; S13-A16 PolarHBondContact O-N 3.45Å; S13-E17 WeakPolarHBondContact O-CG 3.37Å; S13-E17 PolarHBondContact O-N 2.84Å
14R92.6Very high93.3Very high88 Ų8871 Ų7133%0.33239%0.392SS..Hα-helixtrans-62.7-40.7175.5-171.6174.1-177.9178.9-4.8111.2E8 M10 N11 A16 E17 L18E8-R14 IonicContact OE2-CZ 2.75Å; E8-R14 IonicContact OE2-NH1 3.1Å; E8-R14 PolarHBondContact OE2-NH1 2.71Å; E8-R14 IonicContact OE2-NH2 2.79Å; E8-R14 PolarHBondContact OE2-NH2 3.47Å; M10-R14 HydrophobicContact SD-CB 4.06Å; M10-R14 HydrophobicContact SD-CG 3.75Å; N11-R14 PolarHBondContact O-N 3.32Å; N11-R14 WeakPolarHBondContact OD1-CB 3.43Å; N11-R14 PolarHBondContact OD1-N 2.84Å; R14-A16 PolarHBondContact O-N 3.43Å; R14-E17 PolarHBondContact O-N 3.38Å; R14-L18 HydrophobicContact CG-CD1 4.2Å; R14-L18 HydrophobicContact CG-CG 4.42Å; R14-L18 VanDerWaalsContact O-CG 3.29Å; R14-L18 WeakPolarHBondContact O-CG 3.24Å; R14-L18 PolarHBondContact O-N 3.21Å
15W95.6Very high93.3Very high15 Ų1566.8 Ų66.86%0.05737%0.369CS..Hα-helixtrans-56.1-50173.4-177.3-112.4000111.6M10 N11 P12 S13 E17 L18 L19 M22 L30 L35 N39 D42 L43M10-W15 HydrophobicContact CG-CB 4.07Å; M10-W15 HydrophobicContact CG-CE3 3.75Å; M10-W15 HydrophobicContact SD-CE3 4.49Å; N11-W15 PolarHBondContact O-N 3.05Å; P12-W15 PolarHBondContact O-N 3.49Å; S13-W15 VanDerWaalsContact C-N 3.32Å; S13-W15 PolarHBondContact O-N 3.43Å; W15-E17 VanDerWaalsContact C-N 3.32Å; W15-E17 PolarHBondContact O-N 3.29Å; W15-L18 PolarHBondContact O-N 2.97Å; W15-L18 VanDerWaalsContact O-N 3.15Å; W15-L19 HydrophobicContact CZ2-CD2 3.96Å; W15-L19 WeakPolarHBondContact O-CG 3.2Å; W15-L19 PolarHBondContact O-N 3.03Å; W15-M22 HydrophobicContact CE3-CE 4.09Å; W15-M22 HydrophobicContact CH2-CE 3.98Å; W15-M22 HydrophobicContact CZ3-CE 3.59Å; W15-L30 HydrophobicContact CH2-CD1 4.23Å; W15-L30 HydrophobicContact CZ3-CD1 3.9Å; W15-L35 HydrophobicContact CE3-CD2 4.2Å; W15-L35 HydrophobicContact CH2-CD2 4.11Å; W15-L35 HydrophobicContact CZ3-CD2 3.62Å; W15-N39 HydrophobicContact CH2-CB 3.96Å; W15-N39 HydrophobicContact CZ2-CB 3.65Å; W15-D42 HydrophobicContact CZ2-CB 4.15Å; W15-D42 PolarHBondContact NE1-OD2 3.37Å; W15-L43 HydrophobicContact CH2-CD1 4.16Å; W15-L43 HydrophobicContact CH2-CD2 3.84Å; W15-L43 HydrophobicContact CH2-CG 3.85Å; W15-L43 HydrophobicContact CZ2-CD2 4.35Å; W15-L43 HydrophobicContact CZ2-CG 4.11Å
16A93.9Very high93.3Very high61 Ų6171.4 Ų71.450%0.50439%0.389SS..Hα-helixtrans-60.7-39.4179.800000112.8P12 S13 R14P12-A16 WeakPolarHBondContact O-CB 3.48Å; P12-A16 PolarHBondContact O-N 3.02Å; S13-A16 PolarHBondContact O-N 3.45Å; R14-A16 PolarHBondContact O-N 3.43Å
17E92.4Very high93.4Very high136 Ų13668 Ų6864%0.63637%0.374SS*.Hα-helixtrans-62.1-48.5173.6-71.2175.1-175.500111.2S13 R14 W15 L19 S20S13-E17 WeakPolarHBondContact O-CG 3.37Å; S13-E17 PolarHBondContact O-N 2.84Å; R14-E17 PolarHBondContact O-N 3.38Å; W15-E17 VanDerWaalsContact C-N 3.32Å; W15-E17 PolarHBondContact O-N 3.29Å; E17-L19 VanDerWaalsContact C-N 3.31Å; E17-L19 PolarHBondContact O-N 3.35Å; E17-S20 PolarHBondContact O-N 3.07Å; E17-S20 PolarHBondContact O-OG 3.45Å
18L95.3Very high93.6Very high21 Ų2163.3 Ų63.311%0.1134%0.342CS..Hα-helixtrans-64.3-32.1-178.5-69.8175.1000113.1L3 I5 M10 R14 W15 S20 T21 M22L3-L18 HydrophobicContact CD1-CD2 3.92Å; L3-L18 HydrophobicContact CD2-CD2 4.26Å; I5-L18 HydrophobicContact CD1-CD1 3.45Å; I5-L18 VanDerWaalsContact CD1-CD1 3.45Å; I5-L18 HydrophobicContact CD1-CD2 4.19Å; I5-L18 HydrophobicContact CD1-CG 4.48Å; M10-L18 HydrophobicContact CE-CD1 3.62Å; M10-L18 HydrophobicContact SD-CD1 3.53Å; M10-L18 VanDerWaalsContact SD-CD1 3.53Å; R14-L18 HydrophobicContact CG-CD1 4.2Å; R14-L18 HydrophobicContact CG-CG 4.42Å; R14-L18 VanDerWaalsContact O-CG 3.29Å; R14-L18 WeakPolarHBondContact O-CG 3.24Å; R14-L18 PolarHBondContact O-N 3.21Å; W15-L18 PolarHBondContact O-N 2.97Å; W15-L18 VanDerWaalsContact O-N 3.15Å; L18-S20 PolarHBondContact O-N 3.48Å; L18-S20 VanDerWaalsContact O-N 3.14Å; L18-T21 WeakPolarHBondContact O-CB 3.45Å; L18-T21 PolarHBondContact O-N 2.86Å; L18-M22 HydrophobicContact CB-CE 3.73Å; L18-M22 HydrophobicContact CD1-CE 4.49Å; L18-M22 WeakPolarHBondContact O-CB 3.18Å; L18-M22 VanDerWaalsContact O-CG 3.25Å; L18-M22 WeakPolarHBondContact O-CG 3.33Å; L18-M22 PolarHBondContact O-N 3.1Å
19L95.7Very high93.9Very high34 Ų3462.1 Ų62.118%0.17833%0.334CS..Hα-helixtrans-56.4-32.4177.9-73.5178.6000112.9W15 E17 M22 K23 D42 V46W15-L19 HydrophobicContact CZ2-CD2 3.96Å; W15-L19 WeakPolarHBondContact O-CG 3.2Å; W15-L19 PolarHBondContact O-N 3.03Å; E17-L19 VanDerWaalsContact C-N 3.31Å; E17-L19 PolarHBondContact O-N 3.35Å; L19-M22 HydrophobicContact CD2-SD 4.25Å; L19-K23 WeakPolarHBondContact O-CG 3.39Å; L19-D42 HydrophobicContact CD1-CB 4.03Å; L19-D42 HydrophobicContact CD2-CB 3.62Å; L19-D42 HydrophobicContact CG-CB 4.48Å; L19-V46 HydrophobicContact CD2-CG2 4.02Å
20S91Very high94.4Very high81 Ų8154.4 Ų54.457%0.56630%0.298SS*.Hα-helixtrans-70.3-45175.971.30000111.6E17 L18 K23E17-S20 PolarHBondContact O-N 3.07Å; E17-S20 PolarHBondContact O-OG 3.45Å; L18-S20 PolarHBondContact O-N 3.48Å; L18-S20 VanDerWaalsContact O-N 3.14Å; S20-K23 PolarHBondContact O-N 2.88Å
21T94.7Very high94.9Very high47 Ų4753.6 Ų53.629%0.28829%0.294SS..Hα-helixtrans-60.1-47.7176.1-54.60000111.2M1 L18 K23 S24 C25M1-T21 HydrophobicContact CE-CG2 3.51Å; M1-T21 WeakPolarHBondContact CE-O 3.23Å; M1-T21 HydrophobicContact SD-CG2 3.99Å; L18-T21 WeakPolarHBondContact O-CB 3.45Å; L18-T21 PolarHBondContact O-N 2.86Å; T21-K23 PolarHBondContact O-N 3.47Å; T21-K23 VanDerWaalsContact O-N 3.08Å; T21-S24 PolarHBondContact O-N 3.23Å; T21-S24 PolarHBondContact O-OG 3.32Å; T21-C25 PolarHBondContact O-N 3.43Å; T21-C25 PolarHBondContact O-SG 3.25Å
22M96.2Very high95.2Very high0 Ų053.2 Ų53.20%029%0.292CS..Hα-helixtrans-57.3-27.5-177.4-72.6-177.6-159.500113.5L3 W15 L18 L19 S24 C25 I28 L30 L43 V46 N50L3-M22 HydrophobicContact CD2-CE 4Å; L3-M22 HydrophobicContact CD2-CG 3.68Å; W15-M22 HydrophobicContact CE3-CE 4.09Å; W15-M22 HydrophobicContact CH2-CE 3.98Å; W15-M22 HydrophobicContact CZ3-CE 3.59Å; L18-M22 HydrophobicContact CB-CE 3.73Å; L18-M22 HydrophobicContact CD1-CE 4.49Å; L18-M22 WeakPolarHBondContact O-CB 3.18Å; L18-M22 VanDerWaalsContact O-CG 3.25Å; L18-M22 WeakPolarHBondContact O-CG 3.33Å; L18-M22 PolarHBondContact O-N 3.1Å; L19-M22 HydrophobicContact CD2-SD 4.25Å; M22-S24 PolarHBondContact O-N 2.84Å; M22-C25 PolarHBondContact O-N 2.98Å; M22-I28 HydrophobicContact CB-CD1 3.75Å; M22-I28 HydrophobicContact CG-CD1 3.89Å; M22-I28 HydrophobicContact CG-CG1 4.42Å; M22-I28 HydrophobicContact SD-CD1 4.46Å; M22-L30 HydrophobicContact CE-CD1 3.7Å; M22-L30 HydrophobicContact CE-CD2 4.33Å; M22-L43 HydrophobicContact SD-CD2 3.74Å; M22-V46 HydrophobicContact CB-CG1 3.76Å; M22-V46 HydrophobicContact CB-CG2 4.1Å; M22-N50 PolarHBondContact O-ND2 3.38Å
23K93.3Very high95.5Very high107 Ų10748 Ų4847%0.46526%0.258SS..THydrogen-bonded Turntrans-68.6-10.4178.1-71.4175.6-178.5178.70114.4L19 S20 T21 V46 N50L19-K23 WeakPolarHBondContact O-CG 3.39Å; S20-K23 PolarHBondContact O-N 2.88Å; T21-K23 PolarHBondContact O-N 3.47Å; T21-K23 VanDerWaalsContact O-N 3.08Å; K23-V46 HydrophobicContact CG-CG2 4.44Å; K23-N50 WeakPolarHBondContact O-CB 3.14Å; K23-N50 PolarHBondContact O-OD1 2.79Å
24S94.1Very high95.6Very high65 Ų6549.3 Ų49.346%0.45526%0.259SS..THydrogen-bonded Turntrans-125.66.3-179.960.20000113.5M1 T21 M22M1-S24 WeakPolarHBondContact CE-OG 3.29Å; T21-S24 PolarHBondContact O-N 3.23Å; T21-S24 PolarHBondContact O-OG 3.32Å; M22-S24 PolarHBondContact O-N 2.84Å
25C96.9Very high95.8Very high0 Ų045.2 Ų45.20%024%0.244CC..  trans-80.3140.3177-730000111.6M1 T21 M22 I28 N50 S52M1-C25 WeakPolarHBondContact O-CA 3.34Å; T21-C25 PolarHBondContact O-N 3.43Å; T21-C25 PolarHBondContact O-SG 3.25Å; M22-C25 PolarHBondContact O-N 2.98Å; C25-I28 HydrophobicContact CB-CD1 4.28Å; C25-I28 HydrophobicContact CB-CG1 3.69Å; C25-N50 PolarHBondContact N-ND2 3.47Å; C25-N50 PolarHBondContact O-ND2 2.9Å; C25-S52 PolarHBondContact O-OG 3.46Å
26K97.6Very high95.7Very high109 Ų10946.6 Ų46.647%0.47426%0.256SS..SBendtrans-81.6-36.4167.8-177.7-178.7176.6-163.40111.2M1 S52 T54 E55M1-K26 PolarHBondContact O-N 2.67Å; K26-S52 WeakPolarHBondContact CA-O 3.31Å; K26-T54 WeakPolarHBondContact CE-OG1 3.43Å; K26-T54 HydrophobicContact CG-CG2 4.4Å; K26-T54 VanDerWaalsContact CG-OG1 3.23Å; K26-T54 WeakPolarHBondContact CG-OG1 3.46Å; K26-T54 PolarHBondContact O-N 2.79Å; K26-T54 PolarHBondContact O-OG1 3.06Å; K26-E55 PolarHBondContact O-N 3.34Å
27T98.2Very high95.8Very high14 Ų1445.9 Ų45.99%0.08625%0.247CC..EExtended strand (participates in β ladder)trans-127132178.9-60.30000109L3 E55L3-T27 PolarHBondContact N-O 2.79Å; T27-E55 WeakPolarHBondContact CA-O 3.43Å; T27-E55 HydrophobicContact CG2-CB 3.8Å
28I98.4Very high95.9Very high0 Ų042.5 Ų42.50%024%0.238CC..EExtended strand (participates in β ladder)trans-123.3116.3171.8-62.9170.9000107.4L3 M22 C25 L30 V46 L53 E55 L56 K57L3-I28 HydrophobicContact CD2-CG2 4.44Å; L3-I28 CarbonylContact O-C 3.59Å; M22-I28 HydrophobicContact CB-CD1 3.75Å; M22-I28 HydrophobicContact CG-CD1 3.89Å; M22-I28 HydrophobicContact CG-CG1 4.42Å; M22-I28 HydrophobicContact SD-CD1 4.46Å; C25-I28 HydrophobicContact CB-CD1 4.28Å; C25-I28 HydrophobicContact CB-CG1 3.69Å; I28-L30 HydrophobicContact CG2-CD1 3.91Å; I28-L30 HydrophobicContact CG2-CG 3.89Å; I28-V46 HydrophobicContact CD1-CG1 4.04Å; I28-L53 HydrophobicContact CB-CD1 4.29Å; I28-L53 HydrophobicContact CD1-CD1 3.66Å; I28-L53 HydrophobicContact CD1-CD2 4.43Å; I28-L53 HydrophobicContact CG1-CD1 3.77Å; I28-E55 PolarHBondContact N-O 3.28Å; I28-L56 HydrophobicContact CB-CD1 3.93Å; I28-L56 HydrophobicContact CG2-CD1 3.94Å; I28-L56 CarbonylContact O-C 3.59Å; I28-L56 WeakPolarHBondContact O-CA 3.37Å; I28-K57 PolarHBondContact O-N 3.1Å
29R98.5Very high96Very high56 Ų5642.8 Ų42.821%0.21124%0.24CC..EExtended strand (participates in β ladder)trans-117.9121.5168.7179.5170.2-176.9-146.9-3.4109.2L3 D4 I5 Q6 D31 K57L3-R29 PolarHBondContact O-N 3.46Å; D4-R29 WeakPolarHBondContact CA-O 3.18Å; D4-R29 HydrophobicContact CB-CB 4.41Å; D4-R29 WeakPolarHBondContact OD1-CD 3.29Å; D4-R29 IonicContact OD1-NH1 3.5Å; D4-R29 IonicContact OD2-NH1 3.63Å; I5-R29 PolarHBondContact N-O 3.28Å; Q6-R29 VanDerWaalsContact CD-NH2 3.31Å; R29-D31 HydrophobicContact CG-CB 4.32Å; R29-D31 IonicContact CZ-OD2 2.94Å; R29-D31 IonicContact NE-OD2 2.7Å; R29-D31 PolarHBondContact NE-OD2 3.4Å; R29-D31 IonicContact NH2-OD2 3.08Å; R29-D31 PolarHBondContact NH2-OD2 3.32Å; R29-K57 WeakPolarHBondContact CA-O 3.49Å; R29-K57 HydrophobicContact CB-CB 4.05Å; R29-K57 HydrophobicContact CB-CD 4.29Å; R29-K57 HydrophobicContact CG-CB 3.96Å; R29-K57 HydrophobicContact CG-CD 4.37Å
30L97.9Very high96.1Very high0 Ų041.1 Ų41.10%023%0.231CC..EExtended strand (participates in β ladder)trans-132.376176.7-58.9169.2000106.6L3 I5 W15 M22 I28 C33 L35 L43 K57 L58 N61L3-L30 HydrophobicContact CD2-CD2 4.26Å; I5-L30 HydrophobicContact CB-CD2 4.05Å; I5-L30 HydrophobicContact CD1-CD2 3.95Å; I5-L30 HydrophobicContact CG1-CD2 4.15Å; I5-L30 CarbonylContact O-C 3.57Å; I5-L30 WeakPolarHBondContact O-CA 3.26Å; W15-L30 HydrophobicContact CH2-CD1 4.23Å; W15-L30 HydrophobicContact CZ3-CD1 3.9Å; M22-L30 HydrophobicContact CE-CD1 3.7Å; M22-L30 HydrophobicContact CE-CD2 4.33Å; I28-L30 HydrophobicContact CG2-CD1 3.91Å; I28-L30 HydrophobicContact CG2-CG 3.89Å; L30-C33 HydrophobicContact CB-CB 4.4Å; L30-L35 HydrophobicContact CB-CD1 3.83Å; L30-L35 HydrophobicContact CD1-CD1 3.91Å; L30-L43 HydrophobicContact CD1-CD2 4.41Å; L30-K57 PolarHBondContact N-O 3.39Å; L30-L58 HydrophobicContact CB-CD2 4.07Å; L30-L58 HydrophobicContact CD1-CD2 4.11Å; L30-L58 HydrophobicContact CG-CD2 4.49Å; L30-N61 PolarHBondContact O-ND2 3.27Å
31D97.9Very high96.3Very high13 Ų1342.4 Ų42.47%0.0723%0.227CC..EExtended strand (participates in β ladder)trans-88132.3-176.5-145.9-39.4000109.2I5 Q6 C7 R29 C33 N59 N60I5-D31 PolarHBondContact O-N 3Å; Q6-D31 CarbonylContact C-O 3.58Å; Q6-D31 WeakPolarHBondContact CA-O 3.29Å; Q6-D31 HydrophobicContact CB-CB 4.25Å; Q6-D31 HydrophobicContact CG-CB 3.71Å; C7-D31 PolarHBondContact N-O 3.19Å; R29-D31 HydrophobicContact CG-CB 4.32Å; R29-D31 IonicContact CZ-OD2 2.94Å; R29-D31 IonicContact NE-OD2 2.7Å; R29-D31 PolarHBondContact NE-OD2 3.4Å; R29-D31 IonicContact NH2-OD2 3.08Å; R29-D31 PolarHBondContact NH2-OD2 3.32Å; D31-C33 PolarHBondContact O-N 3.36Å; D31-C33 VanDerWaalsContact O-N 3.1Å; D31-C33 PolarHBondContact O-SG 3.04Å; D31-N59 WeakPolarHBondContact CA-O 3.24Å; D31-N59 WeakPolarHBondContact OD1-CB 3.37Å; D31-N60 PolarHBondContact OD1-ND2 2.81Å
32D97.1Very high96.4Very high76 Ų7643.2 Ų43.241%0.40623%0.229SC..SBendtrans47.347.2176-168.224.4000113.1C7 E8 N59 N60C7-D32 VanDerWaalsContact CA-O 3.28Å; C7-D32 WeakPolarHBondContact CA-O 3.41Å; C7-D32 PolarHBondContact N-O 3.47Å; C7-D32 PolarHBondContact SG-OD2 3.1Å; C7-D32 VanDerWaalsContact SG-OD2 3.35Å; E8-D32 PolarHBondContact N-O 3.2Å; D32-N59 PolarHBondContact N-O 3.17Å; D32-N60 WeakPolarHBondContact CA-O 3.39Å; D32-N60 HydrophobicContact CB-CB 3.88Å
33C96.6Very high96.5Very high0 Ų043.3 Ų43.30%023%0.23CC..SBendtrans-101.511.6-176.7-72.60000112.3E8 M10 L30 D31 L35 N61E8-C33 VanDerWaalsContact O-CA 3.29Å; E8-C33 WeakPolarHBondContact O-CA 3.41Å; M10-C33 WeakPolarHBondContact CB-O 3.44Å; M10-C33 PolarHBondContact N-O 3.24Å; L30-C33 HydrophobicContact CB-CB 4.4Å; D31-C33 PolarHBondContact O-N 3.36Å; D31-C33 VanDerWaalsContact O-N 3.1Å; D31-C33 PolarHBondContact O-SG 3.04Å; C33-L35 HydrophobicContact CB-CD2 4.23Å; C33-L35 HydrophobicContact CB-CG 4.01Å; C33-L35 PolarHBondContact O-N 3.49Å; C33-N61 PolarHBondContact N-OD1 2.92Å
34N94.3Very high96.7Very high113 Ų11339.2 Ų39.260%0.60421%0.214SC*.  trans53.338.4-174.6-153.411.7000113.1N61N34-N61 PolarHBondContact N-OD1 2.95Å; N34-N61 VanDerWaalsContact N-OD1 3.17Å
35L96Very high96.7Very high2 Ų239 Ų391%0.0121%0.213CC..  trans-71.3142.9177-56.6179.3000110.7M10 W15 L30 C33 N39 L58 N61 E62 L63M10-L35 HydrophobicContact CB-CD2 4.39Å; W15-L35 HydrophobicContact CE3-CD2 4.2Å; W15-L35 HydrophobicContact CH2-CD2 4.11Å; W15-L35 HydrophobicContact CZ3-CD2 3.62Å; L30-L35 HydrophobicContact CB-CD1 3.83Å; L30-L35 HydrophobicContact CD1-CD1 3.91Å; C33-L35 HydrophobicContact CB-CD2 4.23Å; C33-L35 HydrophobicContact CB-CG 4.01Å; C33-L35 PolarHBondContact O-N 3.49Å; L35-N39 HydrophobicContact CB-CB 4.44Å; L35-N39 HydrophobicContact CD2-CB 4.35Å; L35-L58 HydrophobicContact CD1-CD2 4.08Å; L35-N61 HydrophobicContact CB-CB 3.91Å; L35-N61 WeakPolarHBondContact CB-OD1 3.39Å; L35-N61 WeakPolarHBondContact CG-OD1 3.27Å; L35-N61 PolarHBondContact N-OD1 3.42Å; L35-E62 PolarHBondContact O-N 3.17Å; L35-L63 HydrophobicContact CB-CD2 3.89Å
36S94.3Very high96.7Very high44 Ų4439.1 Ų39.131%0.30821%0.214SC..  trans-111.8172.417870.80000111.8S38 N39S36-S38 PolarHBondContact O-N 3.14Å; S36-S38 PolarHBondContact OG-N 3.45Å; S36-S38 PolarHBondContact OG-OG 3.34Å; S36-N39 PolarHBondContact N-OD1 3.26Å; S36-N39 WeakPolarHBondContact O-CB 3.48Å; S36-N39 PolarHBondContact O-N 3.42Å; S36-N39 VanDerWaalsContact O-N 3.08Å; S36-N39 PolarHBondContact O-OD1 3Å; S36-N39 PolarHBondContact OG-OD1 3.07Å
37S95.3Very high96.6Very high45 Ų4534.2 Ų34.232%0.31519%0.192SC..THydrogen-bonded Turntrans-54.2-24.4172.870.30000114.2L63S37-L63 VanDerWaalsContact CB-O 3.3Å; S37-L63 WeakPolarHBondContact CB-O 3.29Å
38S94.8Very high96.3Very high66 Ų6636.9 Ų36.946%0.46221%0.206SC..THydrogen-bonded Turntrans-71.3-38.9179.769.60000112.2S36 C40 K41S36-S38 PolarHBondContact O-N 3.14Å; S36-S38 PolarHBondContact OG-N 3.45Å; S36-S38 PolarHBondContact OG-OG 3.34Å; S38-C40 PolarHBondContact O-N 3.4Å; S38-K41 WeakPolarHBondContact O-CB 3.42Å; S38-K41 PolarHBondContact O-N 2.93Å
39N96.9Very high96Very high26 Ų2640.3 Ų40.314%0.13923%0.227CC..Hα-helixtrans-63.2-30.6177.5-57.698.5000111.5W15 L35 S36 K41 D42 L43W15-N39 HydrophobicContact CH2-CB 3.96Å; W15-N39 HydrophobicContact CZ2-CB 3.65Å; L35-N39 HydrophobicContact CB-CB 4.44Å; L35-N39 HydrophobicContact CD2-CB 4.35Å; S36-N39 PolarHBondContact N-OD1 3.26Å; S36-N39 WeakPolarHBondContact O-CB 3.48Å; S36-N39 PolarHBondContact O-N 3.42Å; S36-N39 VanDerWaalsContact O-N 3.08Å; S36-N39 PolarHBondContact O-OD1 3Å; S36-N39 PolarHBondContact OG-OD1 3.07Å; N39-K41 PolarHBondContact O-N 3.22Å; N39-D42 PolarHBondContact O-N 2.65Å; N39-D42 VanDerWaalsContact O-N 3.09Å; N39-L43 PolarHBondContact O-N 3.34Å
40C97.9Very high95.9Very high0 Ų037.9 Ų37.90%022%0.219CC..Hα-helixtrans-61.5-24177.7-62.50000114S38 S44 G67 L71S38-C40 PolarHBondContact O-N 3.4Å; C40-S44 VanDerWaalsContact O-CB 3.32Å; C40-S44 WeakPolarHBondContact O-CB 3.08Å; C40-S44 PolarHBondContact O-N 3.23Å; C40-G67 WeakPolarHBondContact CB-O 3.48Å; C40-G67 PolarHBondContact SG-O 3.29Å; C40-L71 HydrophobicContact CB-CB 4.31Å
41K95.9Very high95.5Very high108 Ų10843 Ų4347%0.4725%0.252SS..Hα-helixtrans-68.2-43.5173.7-67.4178.4178.8177.40111.4S38 N39 S44 S45 Y70S38-K41 WeakPolarHBondContact O-CB 3.42Å; S38-K41 PolarHBondContact O-N 2.93Å; N39-K41 PolarHBondContact O-N 3.22Å; K41-S44 WeakPolarHBondContact O-CB 3.29Å; K41-S44 PolarHBondContact O-N 3.4Å; K41-S45 PolarHBondContact O-N 2.66Å; K41-Y70 HydrophobicContact CD-CD1 4.44Å; K41-Y70 HydrophobicContact CD-CE1 4.4Å; K41-Y70 VanDerWaalsContact CE-CE2 3.43Å; K41-Y70 WeakPolarHBondContact CE-OH 3.47Å; K41-Y70 HydrophobicContact CG-CD1 3.84Å; K41-Y70 HydrophobicContact CG-CD2 3.98Å; K41-Y70 HydrophobicContact CG-CE1 4.28Å; K41-Y70 HydrophobicContact CG-CE2 4.42Å; K41-Y70 HydrophobicContact CG-CG 3.7Å
42D96.9Very high95.3Very high64 Ų6444.8 Ų44.834%0.34227%0.265SS..Hα-helixtrans-68.2-42.5176.7-61.2-35.3000110.5W15 L19 N39 S44 S45 V46W15-D42 HydrophobicContact CZ2-CB 4.15Å; W15-D42 PolarHBondContact NE1-OD2 3.37Å; L19-D42 HydrophobicContact CD1-CB 4.03Å; L19-D42 HydrophobicContact CD2-CB 3.62Å; L19-D42 HydrophobicContact CG-CB 4.48Å; N39-D42 PolarHBondContact O-N 2.65Å; N39-D42 VanDerWaalsContact O-N 3.09Å; D42-S44 VanDerWaalsContact C-N 3.31Å; D42-S44 PolarHBondContact O-N 3.36Å; D42-S45 WeakPolarHBondContact O-CA 3.3Å; D42-S45 VanDerWaalsContact O-CB 3.31Å; D42-S45 WeakPolarHBondContact O-CB 3.47Å; D42-S45 PolarHBondContact O-N 2.99Å; D42-V46 WeakPolarHBondContact O-CG2 3.35Å; D42-V46 PolarHBondContact O-N 3.26Å
43L97.4Very high95.4Very high2 Ų241.4 Ų41.41%0.0125%0.247CC..Hα-helixtrans-61-38.9175.2-69.1174000112.2W15 M22 L30 N39 S45 V46 I47 L58 L71W15-L43 HydrophobicContact CH2-CD1 4.16Å; W15-L43 HydrophobicContact CH2-CD2 3.84Å; W15-L43 HydrophobicContact CH2-CG 3.85Å; W15-L43 HydrophobicContact CZ2-CD2 4.35Å; W15-L43 HydrophobicContact CZ2-CG 4.11Å; M22-L43 HydrophobicContact SD-CD2 3.74Å; L30-L43 HydrophobicContact CD1-CD2 4.41Å; N39-L43 PolarHBondContact O-N 3.34Å; L43-S45 VanDerWaalsContact C-N 3.29Å; L43-S45 PolarHBondContact O-N 3.22Å; L43-V46 WeakPolarHBondContact O-CB 3.49Å; L43-V46 PolarHBondContact O-N 2.52Å; L43-I47 WeakPolarHBondContact O-CD1 3.33Å; L43-I47 VanDerWaalsContact O-CG1 3.25Å; L43-I47 WeakPolarHBondContact O-CG1 3.41Å; L43-I47 PolarHBondContact O-N 3.09Å; L43-L58 HydrophobicContact CD1-CD1 3.87Å; L43-L58 HydrophobicContact CD1-CD2 3.96Å; L43-L71 HydrophobicContact CB-CD1 3.75Å; L43-L71 HydrophobicContact CD1-CD1 4.47Å
44S97.1Very high95.4Very high20 Ų2041.9 Ų41.914%0.1425%0.25CS..Hα-helixtrans-58.4-41.1172.4170.10000112.1C40 K41 D42 I47 N48 Y70 G74C40-S44 VanDerWaalsContact O-CB 3.32Å; C40-S44 WeakPolarHBondContact O-CB 3.08Å; C40-S44 PolarHBondContact O-N 3.23Å; K41-S44 WeakPolarHBondContact O-CB 3.29Å; K41-S44 PolarHBondContact O-N 3.4Å; D42-S44 VanDerWaalsContact C-N 3.31Å; D42-S44 PolarHBondContact O-N 3.36Å; S44-I47 PolarHBondContact O-N 2.97Å; S44-N48 WeakPolarHBondContact O-CB 3.24Å; S44-N48 PolarHBondContact O-N 2.92Å; S44-N48 VanDerWaalsContact O-N 3.1Å; S44-Y70 VanDerWaalsContact CB-O 3.28Å; S44-Y70 WeakPolarHBondContact CB-O 3.21Å; S44-Y70 PolarHBondContact OG-O 3.13Å; S44-G74 WeakPolarHBondContact OG-CA 3.39Å; S44-G74 PolarHBondContact OG-N 3.17Å
45S95.1Very high95.6Very high60 Ų6038.1 Ų38.142%0.4223%0.229SC..Hα-helixtrans-67-40.5175-174.20000112.2K41 D42 L43 N48 T49K41-S45 PolarHBondContact O-N 2.66Å; D42-S45 WeakPolarHBondContact O-CA 3.3Å; D42-S45 VanDerWaalsContact O-CB 3.31Å; D42-S45 WeakPolarHBondContact O-CB 3.47Å; D42-S45 PolarHBondContact O-N 2.99Å; L43-S45 VanDerWaalsContact C-N 3.29Å; L43-S45 PolarHBondContact O-N 3.22Å; S45-N48 PolarHBondContact O-N 3.42Å; S45-T49 WeakPolarHBondContact O-CB 3.48Å; S45-T49 WeakPolarHBondContact O-CG2 3.32Å; S45-T49 PolarHBondContact O-N 3.14Å; S45-T49 PolarHBondContact O-OG1 3.11Å
46V96.1Very high95.8Very high3 Ų338 Ų382%0.01823%0.229CC..Hα-helixtrans-59.2-51.3173.5168.50000110.5L19 M22 K23 I28 D42 L43 N48 T49 N50L19-V46 HydrophobicContact CD2-CG2 4.02Å; M22-V46 HydrophobicContact CB-CG1 3.76Å; M22-V46 HydrophobicContact CB-CG2 4.1Å; K23-V46 HydrophobicContact CG-CG2 4.44Å; I28-V46 HydrophobicContact CD1-CG1 4.04Å; D42-V46 WeakPolarHBondContact O-CG2 3.35Å; D42-V46 PolarHBondContact O-N 3.26Å; L43-V46 WeakPolarHBondContact O-CB 3.49Å; L43-V46 PolarHBondContact O-N 2.52Å; V46-N48 VanDerWaalsContact C-N 3.25Å; V46-N48 PolarHBondContact O-N 3.32Å; V46-T49 PolarHBondContact O-N 2.73Å; V46-T49 VanDerWaalsContact O-N 3.09Å; V46-T49 PolarHBondContact O-OG1 2.9Å; V46-N50 HydrophobicContact CG1-CB 4.49Å; V46-N50 WeakPolarHBondContact O-CB 3.38Å; V46-N50 PolarHBondContact O-N 2.97Å
47I95.6Very high96Very high6 Ų637.3 Ų37.33%0.03122%0.22CC..Hα-helixtrans-55.6-43.8178.8-68160.5000110.7L43 S44 T49 L53 L56 L71 L75L43-I47 WeakPolarHBondContact O-CD1 3.33Å; L43-I47 VanDerWaalsContact O-CG1 3.25Å; L43-I47 WeakPolarHBondContact O-CG1 3.41Å; L43-I47 PolarHBondContact O-N 3.09Å; S44-I47 PolarHBondContact O-N 2.97Å; I47-T49 VanDerWaalsContact C-N 3.33Å; I47-T49 PolarHBondContact O-N 3.36Å; I47-L53 HydrophobicContact CG1-CD2 3.83Å; I47-L56 HydrophobicContact CD1-CD2 3.81Å; I47-L56 HydrophobicContact CG1-CD2 4.3Å; I47-L71 HydrophobicContact CD1-CD1 3.53Å; I47-L71 HydrophobicContact CD1-CG 4.16Å; I47-L75 HydrophobicContact CD1-CD2 3.92Å; I47-L75 HydrophobicContact CD1-CG 4.19Å; I47-L75 HydrophobicContact CG2-CD2 4.08Å
48N91.8Very high96.1Very high71 Ų7135.1 Ų35.138%0.3821%0.205SC..Hα-helixtrans-67.1-33.7-179.4-174.729.2000112.9S44 S45 V46 M77S44-N48 WeakPolarHBondContact O-CB 3.24Å; S44-N48 PolarHBondContact O-N 2.92Å; S44-N48 VanDerWaalsContact O-N 3.1Å; S45-N48 PolarHBondContact O-N 3.42Å; V46-N48 VanDerWaalsContact C-N 3.25Å; V46-N48 PolarHBondContact O-N 3.32Å; N48-M77 HydrophobicContact CB-CG 4.44Å
49T92.8Very high96.3Very high71 Ų7132.4 Ų32.444%0.43619%0.185SC..Hα-helixtrans-98.6-10.1-174.355.50000114.3S45 V46 I47 P51S45-T49 WeakPolarHBondContact O-CB 3.48Å; S45-T49 WeakPolarHBondContact O-CG2 3.32Å; S45-T49 PolarHBondContact O-N 3.14Å; S45-T49 PolarHBondContact O-OG1 3.11Å; V46-T49 PolarHBondContact O-N 2.73Å; V46-T49 VanDerWaalsContact O-N 3.09Å; V46-T49 PolarHBondContact O-OG1 2.9Å; I47-T49 VanDerWaalsContact C-N 3.33Å; I47-T49 PolarHBondContact O-N 3.36Å; T49-P51 VanDerWaalsContact O-CD 3.26Å; T49-P51 WeakPolarHBondContact O-CD 3.48Å
50N95.1Very high96.4Very high6 Ų634 Ų343%0.03219%0.194CC..  trans-104.198.9179.9-175.4-10.2000111.1M22 K23 C25 V46 S52 L53M22-N50 PolarHBondContact O-ND2 3.38Å; K23-N50 WeakPolarHBondContact O-CB 3.14Å; K23-N50 PolarHBondContact O-OD1 2.79Å; C25-N50 PolarHBondContact N-ND2 3.47Å; C25-N50 PolarHBondContact O-ND2 2.9Å; V46-N50 HydrophobicContact CG1-CB 4.49Å; V46-N50 WeakPolarHBondContact O-CB 3.38Å; V46-N50 PolarHBondContact O-N 2.97Å; N50-S52 PolarHBondContact O-N 3Å; N50-S52 WeakPolarHBondContact OD1-CA 3.45Å; N50-S52 PolarHBondContact OD1-N 2.83Å; N50-S52 PolarHBondContact OD1-OG 3.12Å; N50-L53 HydrophobicContact CB-CB 4.27Å; N50-L53 PolarHBondContact OD1-N 3.39Å
51P90.8Very high96.4Very high107 Ų10734.1 Ų34.170%0.69519%0.194SC*.THydrogen-bonded Turntrans-73.7-10.617932.3-37.2000113.6T49T49-P51 VanDerWaalsContact O-CD 3.26Å; T49-P51 WeakPolarHBondContact O-CD 3.48Å
52S94.3Very high96.4Very high51 Ų5136 Ų3636%0.35721%0.205SC..THydrogen-bonded Turntrans-95.7-10.3-176.869.80000114C25 K26 N50 T54C25-S52 PolarHBondContact O-OG 3.46Å; K26-S52 WeakPolarHBondContact CA-O 3.31Å; N50-S52 PolarHBondContact O-N 3Å; N50-S52 WeakPolarHBondContact OD1-CA 3.45Å; N50-S52 PolarHBondContact OD1-N 2.83Å; N50-S52 PolarHBondContact OD1-OG 3.12Å; S52-T54 PolarHBondContact O-N 3.33Å
53L97.7Very high96.5Very high5 Ų533.1 Ų33.13%0.02619%0.189CC..  trans-68.4117.8-176.3-17367.1000111I28 I47 N50 E55 L82I28-L53 HydrophobicContact CB-CD1 4.29Å; I28-L53 HydrophobicContact CD1-CD1 3.66Å; I28-L53 HydrophobicContact CD1-CD2 4.43Å; I28-L53 HydrophobicContact CG1-CD1 3.77Å; I47-L53 HydrophobicContact CG1-CD2 3.83Å; N50-L53 HydrophobicContact CB-CB 4.27Å; N50-L53 PolarHBondContact OD1-N 3.39Å; L53-E55 WeakPolarHBondContact CD1-O 3.48Å; L53-L82 HydrophobicContact CD2-CD1 4.04Å; L53-L82 HydrophobicContact CG-CD1 3.79Å
54T98.1Very high96.5Very high10 Ų1033.7 Ų33.76%0.06120%0.196CC..  trans-116.7-22.9176.956.60000112.8K26 S52 Q83 K84K26-T54 WeakPolarHBondContact CE-OG1 3.43Å; K26-T54 HydrophobicContact CG-CG2 4.4Å; K26-T54 VanDerWaalsContact CG-OG1 3.23Å; K26-T54 WeakPolarHBondContact CG-OG1 3.46Å; K26-T54 PolarHBondContact O-N 2.79Å; K26-T54 PolarHBondContact O-OG1 3.06Å; S52-T54 PolarHBondContact O-N 3.33Å; T54-Q83 HydrophobicContact CG2-CG 4.4Å; T54-Q83 WeakPolarHBondContact O-CA 3.21Å; T54-Q83 WeakPolarHBondContact O-CB 3.24Å; T54-Q83 PolarHBondContact O-N 2.99Å; T54-K84 PolarHBondContact O-N 2.92Å
55E98.7Very high96.6Very high33 Ų3334.9 Ų34.915%0.15420%0.2CC..EExtended strand (participates in β ladder)trans-132.3129.8-179.8-56-167.8-176.400111.2K26 T27 I28 L53 K57 K84K26-E55 PolarHBondContact O-N 3.34Å; T27-E55 WeakPolarHBondContact CA-O 3.43Å; T27-E55 HydrophobicContact CG2-CB 3.8Å; I28-E55 PolarHBondContact N-O 3.28Å; L53-E55 WeakPolarHBondContact CD1-O 3.48Å; E55-K57 VanDerWaalsContact OE2-CE 3.24Å; E55-K57 WeakPolarHBondContact OE2-CE 3.32Å; E55-K57 IonicContact OE2-NZ 3.94Å; E55-K57 PolarHBondContact OE2-NZ 3.36Å; E55-K84 HydrophobicContact CB-CB 4.35Å; E55-K84 HydrophobicContact CG-CB 4.12Å; E55-K84 HydrophobicContact CG-CD 3.87Å; E55-K84 HydrophobicContact CG-CG 4.02Å; E55-K84 WeakPolarHBondContact OE1-CE 3.5Å; E55-K84 IonicContact OE1-NZ 3.63Å; E55-K84 PolarHBondContact OE1-NZ 3.39Å; E55-K84 IonicContact OE2-NZ 3.21Å
56L98.6Very high96.7Very high1 Ų134.3 Ų34.31%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-132.8114.6176.2-17864.4000109.6I28 I47 L58 L71 L82 K84 L85 W86I28-L56 HydrophobicContact CB-CD1 3.93Å; I28-L56 HydrophobicContact CG2-CD1 3.94Å; I28-L56 CarbonylContact O-C 3.59Å; I28-L56 WeakPolarHBondContact O-CA 3.37Å; I47-L56 HydrophobicContact CD1-CD2 3.81Å; I47-L56 HydrophobicContact CG1-CD2 4.3Å; L56-L58 HydrophobicContact CD1-CD1 4.35Å; L56-L58 HydrophobicContact CD1-CD2 3.91Å; L56-L58 HydrophobicContact CD1-CG 4.09Å; L56-L58 HydrophobicContact CD2-CD1 4.14Å; L56-L58 HydrophobicContact CG-CD1 4.14Å; L56-L58 HydrophobicContact CG-CD2 4.42Å; L56-L58 HydrophobicContact CG-CG 4.04Å; L56-L71 HydrophobicContact CD2-CD1 4.03Å; L56-L71 HydrophobicContact CD2-CD2 4.31Å; L56-L82 HydrophobicContact CB-CD1 3.77Å; L56-L82 HydrophobicContact CB-CD2 4Å; L56-K84 PolarHBondContact N-O 2.82Å; L56-L85 HydrophobicContact CB-CD1 4.42Å; L56-L85 HydrophobicContact CD2-CD1 4.19Å; L56-L85 HydrophobicContact CG-CD1 4.44Å; L56-L85 WeakPolarHBondContact O-CA 3.16Å; L56-W86 PolarHBondContact O-N 3.05Å
57K98.8Very high96.8Very high28 Ų2834.1 Ų34.112%0.12220%0.198CC..EExtended strand (participates in β ladder)trans-123.6112.3-174.7-54.7173.8176176.70108.8I28 R29 L30 E55 W86I28-K57 PolarHBondContact O-N 3.1Å; R29-K57 WeakPolarHBondContact CA-O 3.49Å; R29-K57 HydrophobicContact CB-CB 4.05Å; R29-K57 HydrophobicContact CB-CD 4.29Å; R29-K57 HydrophobicContact CG-CB 3.96Å; R29-K57 HydrophobicContact CG-CD 4.37Å; L30-K57 PolarHBondContact N-O 3.39Å; E55-K57 VanDerWaalsContact OE2-CE 3.24Å; E55-K57 WeakPolarHBondContact OE2-CE 3.32Å; E55-K57 IonicContact OE2-NZ 3.94Å; E55-K57 PolarHBondContact OE2-NZ 3.36Å; K57-W86 HydrophobicContact CB-CB 4.2Å; K57-W86 HydrophobicContact CB-CD2 4.21Å; K57-W86 HydrophobicContact CB-CE3 3.91Å; K57-W86 HydrophobicContact CB-CG 4.37Å; K57-W86 HydrophobicContact CD-CD2 3.77Å; K57-W86 HydrophobicContact CD-CE3 3.39Å; K57-W86 HydrophobicContact CD-CH2 3.97Å; K57-W86 HydrophobicContact CD-CZ2 4.27Å; K57-W86 HydrophobicContact CD-CZ3 3.51Å; K57-W86 HydrophobicContact CG-CB 4.21Å; K57-W86 HydrophobicContact CG-CD2 3.56Å; K57-W86 HydrophobicContact CG-CE3 3.53Å; K57-W86 HydrophobicContact CG-CG 3.87Å; K57-W86 HydrophobicContact CG-CZ3 4.2Å
58L98.6Very high96.9Very high0 Ų033.9 Ų33.90%020%0.197CC..  trans-125.226.5-173.3-56.4175.8000111.8L30 L35 L43 L56 N61 L63 L71 W86 L87 C90L30-L58 HydrophobicContact CB-CD2 4.07Å; L30-L58 HydrophobicContact CD1-CD2 4.11Å; L30-L58 HydrophobicContact CG-CD2 4.49Å; L35-L58 HydrophobicContact CD1-CD2 4.08Å; L43-L58 HydrophobicContact CD1-CD1 3.87Å; L43-L58 HydrophobicContact CD1-CD2 3.96Å; L56-L58 HydrophobicContact CD1-CD1 4.35Å; L56-L58 HydrophobicContact CD1-CD2 3.91Å; L56-L58 HydrophobicContact CD1-CG 4.09Å; L56-L58 HydrophobicContact CD2-CD1 4.14Å; L56-L58 HydrophobicContact CG-CD1 4.14Å; L56-L58 HydrophobicContact CG-CD2 4.42Å; L56-L58 HydrophobicContact CG-CG 4.04Å; L58-N61 PolarHBondContact O-ND2 2.65Å; L58-L63 HydrophobicContact CB-CD1 4.08Å; L58-L63 HydrophobicContact CD1-CD1 4.06Å; L58-L71 HydrophobicContact CD1-CD1 4.31Å; L58-L71 HydrophobicContact CD1-CD2 3.82Å; L58-W86 PolarHBondContact N-O 3.33Å; L58-L87 HydrophobicContact CB-CD2 4.23Å; L58-L87 HydrophobicContact CD1-CD2 4.2Å; L58-C90 PolarHBondContact O-SG 3.21Å
59N98.5Very high97.2Very high8 Ų834.9 Ų34.94%0.04320%0.199CC..  trans-54.8154-175.7-64.6-11.2000112.2D31 D32 N61 W86 L87 Q88D31-N59 WeakPolarHBondContact CA-O 3.24Å; D31-N59 WeakPolarHBondContact OD1-CB 3.37Å; D32-N59 PolarHBondContact N-O 3.17Å; N59-N61 VanDerWaalsContact C-N 3.3Å; N59-N61 PolarHBondContact O-N 2.83Å; N59-N61 PolarHBondContact O-ND2 3.34Å; N59-W86 VanDerWaalsContact OD1-C 3.27Å; N59-W86 WeakPolarHBondContact OD1-CB 3.37Å; N59-L87 PolarHBondContact OD1-N 3.15Å; N59-Q88 CarbonylContact C-O 3.39Å; N59-Q88 WeakPolarHBondContact CA-O 3.44Å; N59-Q88 HydrophobicContact CB-CB 4.32Å; N59-Q88 WeakPolarHBondContact OD1-CB 3.46Å; N59-Q88 PolarHBondContact OD1-N 2.97Å
60N98.2Very high97.4Very high61 Ų6134.9 Ų34.933%0.32619%0.191SC..SBendtrans58.437.4173.6-54.8-58.7000113.6D31 D32 Q88 N89D31-N60 PolarHBondContact OD1-ND2 2.81Å; D32-N60 WeakPolarHBondContact CA-O 3.39Å; D32-N60 HydrophobicContact CB-CB 3.88Å; N60-Q88 PolarHBondContact N-O 3.13Å; N60-N89 WeakPolarHBondContact CA-O 3.37Å; N60-N89 PolarHBondContact N-O 3.48Å; N60-N89 WeakPolarHBondContact OD1-CB 3.33Å; N60-N89 PolarHBondContact OD1-ND2 3.33Å
61N97.8Very high97.6Very high2 Ų234.6 Ų34.61%0.01119%0.19CC..  trans-126137.7174.7-68-79.4000110.5L30 C33 N34 L35 L58 N59 L63 N89 C90L30-N61 PolarHBondContact O-ND2 3.27Å; C33-N61 PolarHBondContact N-OD1 2.92Å; N34-N61 PolarHBondContact N-OD1 2.95Å; N34-N61 VanDerWaalsContact N-OD1 3.17Å; L35-N61 HydrophobicContact CB-CB 3.91Å; L35-N61 WeakPolarHBondContact CB-OD1 3.39Å; L35-N61 WeakPolarHBondContact CG-OD1 3.27Å; L35-N61 PolarHBondContact N-OD1 3.42Å; L58-N61 PolarHBondContact O-ND2 2.65Å; N59-N61 VanDerWaalsContact C-N 3.3Å; N59-N61 PolarHBondContact O-N 2.83Å; N59-N61 PolarHBondContact O-ND2 3.34Å; N61-L63 HydrophobicContact CB-CD2 3.68Å; N61-L63 HydrophobicContact CB-CG 4.05Å; N61-L63 PolarHBondContact O-N 3.07Å; N61-N89 PolarHBondContact N-O 3.4Å; N61-C90 CarbonylContact O-C 3.48Å; N61-C90 WeakPolarHBondContact O-CA 3.32Å
62E96.7Very high97.8Very high148 Ų14829.5 Ų29.569%0.69216%0.157SC*.  trans-75.261.1179.3-61.6-170.4178.300112.9L35L35-E62 PolarHBondContact O-N 3.17Å
63L97.9Very high98Very high3 Ų331.7 Ų31.72%0.01616%0.16CC..  trans-67.9-40.6-179.6-51.7-173.3000111.1L35 S37 L58 N61 G67 L87 C90L35-L63 HydrophobicContact CB-CD2 3.89Å; S37-L63 VanDerWaalsContact CB-O 3.3Å; S37-L63 WeakPolarHBondContact CB-O 3.29Å; L58-L63 HydrophobicContact CB-CD1 4.08Å; L58-L63 HydrophobicContact CD1-CD1 4.06Å; N61-L63 HydrophobicContact CB-CD2 3.68Å; N61-L63 HydrophobicContact CB-CG 4.05Å; N61-L63 PolarHBondContact O-N 3.07Å; L63-G67 VanDerWaalsContact O-CA 3.29Å; L63-G67 WeakPolarHBondContact O-CA 2.88Å; L63-G67 PolarHBondContact O-N 3.4Å; L63-G67 VanDerWaalsContact O-N 3.14Å; L63-L87 HydrophobicContact CD1-CD2 3.95Å; L63-C90 HydrophobicContact CB-CB 4.46Å; L63-C90 HydrophobicContact CD1-CB 4.28Å; L63-C90 HydrophobicContact CG-CB 4.28Å; L63-C90 PolarHBondContact N-O 3.01Å
64G98.3Very high97.9Very high14 Ų1431.5 Ų31.514%0.14416%0.159CC..Hα-helixtrans64.3175.5-174.600000113.6A66 G67 V68 C90 N91G64-A66 VanDerWaalsContact C-N 3.25Å; G64-A66 PolarHBondContact O-N 2.62Å; G64-G67 PolarHBondContact O-N 3.26Å; G64-G67 VanDerWaalsContact O-N 3.1Å; G64-V68 PolarHBondContact O-N 3.49Å; G64-V68 VanDerWaalsContact O-N 3.13Å; G64-C90 PolarHBondContact N-O 3.48Å; G64-N91 WeakPolarHBondContact CA-O 3.45Å
65D98.6Very high97.8Very high45 Ų4531.2 Ų31.224%0.24116%0.157CC..Hα-helixtrans-59.3-37-179.5-62.1-43.3000112.7V68 E69 T93 A95 S96D65-V68 PolarHBondContact O-N 2.6Å; D65-E69 WeakPolarHBondContact O-CB 3.42Å; D65-E69 PolarHBondContact O-N 2.8Å; D65-T93 PolarHBondContact OD1-N 3.43Å; D65-T93 PolarHBondContact OD1-OG1 2.86Å; D65-T93 WeakPolarHBondContact OD2-CG2 3.27Å; D65-T93 PolarHBondContact OD2-OG1 3.45Å; D65-A95 HydrophobicContact CB-CB 4.36Å; D65-S96 WeakPolarHBondContact CA-OG 3.39Å; D65-S96 WeakPolarHBondContact OD1-CB 3.36Å; D65-S96 PolarHBondContact OD1-N 3.22Å; D65-S96 PolarHBondContact OD1-OG 3.47Å
66A98Very high97.7Very high47 Ų4733.1 Ų33.139%0.38817%0.168SC..Hα-helixtrans-65.5-39.9177.100000112.3G64 E69 Y70G64-A66 VanDerWaalsContact C-N 3.25Å; G64-A66 PolarHBondContact O-N 2.62Å; A66-E69 PolarHBondContact O-N 3.03Å; A66-Y70 WeakPolarHBondContact O-CD2 3.34Å; A66-Y70 PolarHBondContact O-N 3.13Å; A66-Y70 VanDerWaalsContact O-N 3.08Å
67G98.1Very high97.4Very high0 Ų036.4 Ų36.40%019%0.185CC..Hα-helixtrans-62.5-47.7176.100000111.5C40 L63 G64 E69 Y70 L71C40-G67 WeakPolarHBondContact CB-O 3.48Å; C40-G67 PolarHBondContact SG-O 3.29Å; L63-G67 VanDerWaalsContact O-CA 3.29Å; L63-G67 WeakPolarHBondContact O-CA 2.88Å; L63-G67 PolarHBondContact O-N 3.4Å; L63-G67 VanDerWaalsContact O-N 3.14Å; G64-G67 PolarHBondContact O-N 3.26Å; G64-G67 VanDerWaalsContact O-N 3.1Å; G67-E69 VanDerWaalsContact C-N 3.33Å; G67-E69 PolarHBondContact O-N 3.1Å; G67-Y70 PolarHBondContact O-N 3.1Å; G67-Y70 VanDerWaalsContact O-N 3.17Å; G67-L71 WeakPolarHBondContact O-CB 3.48Å; G67-L71 PolarHBondContact O-N 3.17Å
68V97.6Very high97Very high0 Ų041.1 Ų41.10%022%0.218CC..Hα-helixtrans-64.6-36.9177.1171.80000112G64 D65 Y70 L71 C72 L87 L92 L100G64-V68 PolarHBondContact O-N 3.49Å; G64-V68 VanDerWaalsContact O-N 3.13Å; D65-V68 PolarHBondContact O-N 2.6Å; V68-Y70 VanDerWaalsContact C-N 3.34Å; V68-Y70 PolarHBondContact O-N 3.13Å; V68-L71 PolarHBondContact O-N 2.95Å; V68-C72 VanDerWaalsContact O-CB 3.31Å; V68-C72 WeakPolarHBondContact O-CB 3.25Å; V68-C72 PolarHBondContact O-N 3.46Å; V68-C72 PolarHBondContact O-SG 2.76Å; V68-L87 HydrophobicContact CG1-CD1 4.5Å; V68-L87 HydrophobicContact CG2-CD1 4.1Å; V68-L92 HydrophobicContact CB-CD2 4.21Å; V68-L92 HydrophobicContact CG2-CD1 3.97Å; V68-L92 HydrophobicContact CG2-CD2 3.26Å; V68-L92 HydrophobicContact CG2-CG 4.25Å; V68-L100 HydrophobicContact CG1-CD2 4.2Å; V68-L100 HydrophobicContact CG1-CG 4.27Å
69E98.2Very high96.4Very high92 Ų9244.5 Ų44.543%0.4324%0.241SC..Hα-helixtrans-58.8-44.5172.5-163.9-150.9126.900111.8D65 A66 G67 K73D65-E69 WeakPolarHBondContact O-CB 3.42Å; D65-E69 PolarHBondContact O-N 2.8Å; A66-E69 PolarHBondContact O-N 3.03Å; G67-E69 VanDerWaalsContact C-N 3.33Å; G67-E69 PolarHBondContact O-N 3.1Å; E69-K73 PolarHBondContact O-N 2.99Å; E69-K73 WeakPolarHBondContact OE1-CE 3.39Å; E69-K73 IonicContact OE1-NZ 2.8Å; E69-K73 PolarHBondContact OE1-NZ 3.22Å
70Y98.1Very high96.1Very high71 Ų7144.6 Ų44.628%0.27824%0.243SC..Hα-helixtrans-64.8-48.1174.8-69.4-55.9000111.9K41 S44 A66 G67 V68 C72 K73K41-Y70 HydrophobicContact CD-CD1 4.44Å; K41-Y70 HydrophobicContact CD-CE1 4.4Å; K41-Y70 VanDerWaalsContact CE-CE2 3.43Å; K41-Y70 WeakPolarHBondContact CE-OH 3.47Å; K41-Y70 HydrophobicContact CG-CD1 3.84Å; K41-Y70 HydrophobicContact CG-CD2 3.98Å; K41-Y70 HydrophobicContact CG-CE1 4.28Å; K41-Y70 HydrophobicContact CG-CE2 4.42Å; K41-Y70 HydrophobicContact CG-CG 3.7Å; S44-Y70 VanDerWaalsContact CB-O 3.28Å; S44-Y70 WeakPolarHBondContact CB-O 3.21Å; S44-Y70 PolarHBondContact OG-O 3.13Å; A66-Y70 WeakPolarHBondContact O-CD2 3.34Å; A66-Y70 PolarHBondContact O-N 3.13Å; A66-Y70 VanDerWaalsContact O-N 3.08Å; G67-Y70 PolarHBondContact O-N 3.1Å; G67-Y70 VanDerWaalsContact O-N 3.17Å; V68-Y70 VanDerWaalsContact C-N 3.34Å; V68-Y70 PolarHBondContact O-N 3.13Å; Y70-C72 VanDerWaalsContact C-N 3.27Å; Y70-C72 PolarHBondContact O-N 2.98Å; Y70-K73 HydrophobicContact CD1-CD 4.49Å; Y70-K73 WeakPolarHBondContact O-CB 3.45Å; Y70-K73 PolarHBondContact O-N 3.04Å; Y70-K73 VanDerWaalsContact O-N 3.12Å
71L97.6Very high95.9Very high0 Ų045.5 Ų45.50%025%0.248CC..Hα-helixtrans-56-45.7-179-17268.2000111.3C40 L43 I47 L56 L58 G67 V68 K73 G74 L75 L85 L87C40-L71 HydrophobicContact CB-CB 4.31Å; L43-L71 HydrophobicContact CB-CD1 3.75Å; L43-L71 HydrophobicContact CD1-CD1 4.47Å; I47-L71 HydrophobicContact CD1-CD1 3.53Å; I47-L71 HydrophobicContact CD1-CG 4.16Å; L56-L71 HydrophobicContact CD2-CD1 4.03Å; L56-L71 HydrophobicContact CD2-CD2 4.31Å; L58-L71 HydrophobicContact CD1-CD1 4.31Å; L58-L71 HydrophobicContact CD1-CD2 3.82Å; G67-L71 WeakPolarHBondContact O-CB 3.48Å; G67-L71 PolarHBondContact O-N 3.17Å; V68-L71 PolarHBondContact O-N 2.95Å; L71-K73 PolarHBondContact O-N 3.47Å; L71-G74 PolarHBondContact O-N 2.89Å; L71-L75 HydrophobicContact CG-CD1 4.43Å; L71-L75 PolarHBondContact O-N 3.06Å; L71-L85 HydrophobicContact CD2-CD1 4.39Å; L71-L87 HydrophobicContact CD2-CD2 3.99Å
72C96.6Very high96Very high0 Ų045.6 Ų45.60%025%0.248CC..Hα-helixtrans-67.4-20-177.4-67.80000113.5V68 Y70 G74 L75 L76 T99 V103V68-C72 VanDerWaalsContact O-CB 3.31Å; V68-C72 WeakPolarHBondContact O-CB 3.25Å; V68-C72 PolarHBondContact O-N 3.46Å; V68-C72 PolarHBondContact O-SG 2.76Å; Y70-C72 VanDerWaalsContact C-N 3.27Å; Y70-C72 PolarHBondContact O-N 2.98Å; C72-G74 PolarHBondContact O-N 3.3Å; C72-L75 PolarHBondContact O-N 3.44Å; C72-L75 VanDerWaalsContact O-N 3.17Å; C72-L76 WeakPolarHBondContact O-CB 3.4Å; C72-L76 WeakPolarHBondContact O-CG 3.37Å; C72-L76 PolarHBondContact O-N 3.2Å; C72-T99 HydrophobicContact CB-CG2 3.19Å; C72-T99 WeakPolarHBondContact SG-CG2 3.2Å; C72-V103 HydrophobicContact CB-CG2 3.83Å
73K96.8Very high96Very high98 Ų9842.2 Ų42.243%0.42623%0.232SC..Hα-helixtrans-60.5-34.9170.5-70.4167.9-175.9158.50111.5E69 Y70 L71E69-K73 PolarHBondContact O-N 2.99Å; E69-K73 WeakPolarHBondContact OE1-CE 3.39Å; E69-K73 IonicContact OE1-NZ 2.8Å; E69-K73 PolarHBondContact OE1-NZ 3.22Å; Y70-K73 HydrophobicContact CD1-CD 4.49Å; Y70-K73 WeakPolarHBondContact O-CB 3.45Å; Y70-K73 PolarHBondContact O-N 3.04Å; Y70-K73 VanDerWaalsContact O-N 3.12Å; L71-K73 PolarHBondContact O-N 3.47Å
74G95.9Very high96.1Very high1 Ų144.6 Ų44.61%0.0124%0.243CC..Hα-helixtrans-73-43.4171.900000112S44 L71 C72 L76 M77S44-G74 WeakPolarHBondContact OG-CA 3.39Å; S44-G74 PolarHBondContact OG-N 3.17Å; L71-G74 PolarHBondContact O-N 2.89Å; C72-G74 PolarHBondContact O-N 3.3Å; G74-L76 VanDerWaalsContact C-N 3.27Å; G74-L76 PolarHBondContact O-N 3.49Å; G74-M77 VanDerWaalsContact O-CB 3.31Å; G74-M77 WeakPolarHBondContact O-CB 3.47Å; G74-M77 WeakPolarHBondContact O-CG 3.4Å; G74-M77 PolarHBondContact O-N 2.79Å; G74-M77 VanDerWaalsContact O-N 3.17Å
75L96.3Very high96.1Very high3 Ų344 Ų442%0.01624%0.236CC..Hα-helixtrans-65.9-26.9-179.8-60.5173.3000113.4I47 L71 C72 M77 L82 L85 V103 Q107I47-L75 HydrophobicContact CD1-CD2 3.92Å; I47-L75 HydrophobicContact CD1-CG 4.19Å; I47-L75 HydrophobicContact CG2-CD2 4.08Å; L71-L75 HydrophobicContact CG-CD1 4.43Å; L71-L75 PolarHBondContact O-N 3.06Å; C72-L75 PolarHBondContact O-N 3.44Å; C72-L75 VanDerWaalsContact O-N 3.17Å; L75-M77 PolarHBondContact O-N 3.31Å; L75-L82 HydrophobicContact CD2-CB 4.32Å; L75-L82 HydrophobicContact CD2-CD2 3.5Å; L75-L85 HydrophobicContact CD1-CD1 4.5Å; L75-L85 HydrophobicContact CD1-CD2 3.73Å; L75-V103 HydrophobicContact CB-CG1 4.18Å; L75-V103 HydrophobicContact CB-CG2 4Å; L75-V103 HydrophobicContact CD1-CG1 4.35Å; L75-V103 HydrophobicContact CD1-CG2 4.32Å; L75-Q107 WeakPolarHBondContact O-CG 3.34Å; L75-Q107 PolarHBondContact O-NE2 3.48Å
76L96.8Very high96.1Very high73 Ų7344 Ų4438%0.38223%0.233SC..THydrogen-bonded Turntrans-80.7-1.4177.9-70.3167.8000113.1C72 G74 V103 A106C72-L76 WeakPolarHBondContact O-CB 3.4Å; C72-L76 WeakPolarHBondContact O-CG 3.37Å; C72-L76 PolarHBondContact O-N 3.2Å; G74-L76 VanDerWaalsContact C-N 3.27Å; G74-L76 PolarHBondContact O-N 3.49Å; L76-V103 HydrophobicContact CD2-CG2 4.13Å; L76-V103 HydrophobicContact CG-CG2 4.18Å; L76-A106 HydrophobicContact CD2-CB 3.83Å
77M93.4Very high96.2Very high71 Ų7141.8 Ų41.835%0.3521%0.214SC..SBendtrans-71.8139.3175.3-65.6-59.5-63.900110.9N48 G74 L75 S79 C80 Q107N48-M77 HydrophobicContact CB-CG 4.44Å; G74-M77 VanDerWaalsContact O-CB 3.31Å; G74-M77 WeakPolarHBondContact O-CB 3.47Å; G74-M77 WeakPolarHBondContact O-CG 3.4Å; G74-M77 PolarHBondContact O-N 2.79Å; G74-M77 VanDerWaalsContact O-N 3.17Å; L75-M77 PolarHBondContact O-N 3.31Å; M77-S79 PolarHBondContact O-N 2.65Å; M77-S79 VanDerWaalsContact O-N 3.14Å; M77-C80 VanDerWaalsContact O-CB 3.25Å; M77-C80 WeakPolarHBondContact O-CB 3.37Å; M77-C80 PolarHBondContact O-N 2.98Å; M77-Q107 PolarHBondContact O-NE2 3.18Å; M77-Q107 VanDerWaalsContact O-NE2 3.15Å
78P88.5Confident96.2Very high127 Ų12744 Ų4483%0.82522%0.224SC*.THydrogen-bonded Turntrans-62.6-20.6179.4-24.734.3000114.9C80P78-C80 VanDerWaalsContact C-N 3.3Å
79S86.3Confident96.2Very high70 Ų7047.6 Ų47.649%0.4924%0.244SC..THydrogen-bonded Turntrans-80.1-9176.649.30000113.5M77 N81M77-S79 PolarHBondContact O-N 2.65Å; M77-S79 VanDerWaalsContact O-N 3.14Å; S79-N81 PolarHBondContact O-N 2.91Å
80C93Very high96.2Very high11 Ų1143.2 Ų43.27%0.07422%0.223CC..  trans-68.5126.2-178.4-170.10000110.6M77 P78 Q107M77-C80 VanDerWaalsContact O-CB 3.25Å; M77-C80 WeakPolarHBondContact O-CB 3.37Å; M77-C80 PolarHBondContact O-N 2.98Å; P78-C80 VanDerWaalsContact C-N 3.3Å; C80-Q107 PolarHBondContact O-OE1 3.26Å
81N94.8Very high96.3Very high80 Ų8044.4 Ų44.443%0.42824%0.235SC..  trans-120.229177.6-165.841.4000111.8S79 Q83S79-N81 PolarHBondContact O-N 2.91Å; N81-Q83 PolarHBondContact O-N 2.81Å
82L97.9Very high96.3Very high4 Ų444.5 Ų44.52%0.02124%0.235CC..  trans-66.9129.7-178.3-164.376.3000110.1L53 L56 L75 L85 S109 L110L53-L82 HydrophobicContact CD2-CD1 4.04Å; L53-L82 HydrophobicContact CG-CD1 3.79Å; L56-L82 HydrophobicContact CB-CD1 3.77Å; L56-L82 HydrophobicContact CB-CD2 4Å; L75-L82 HydrophobicContact CD2-CB 4.32Å; L75-L82 HydrophobicContact CD2-CD2 3.5Å; L82-L85 HydrophobicContact CD2-CB 3.97Å; L82-L85 HydrophobicContact CD2-CD1 4.11Å; L82-S109 CarbonylContact O-C 3.21Å; L82-S109 PolarHBondContact O-OG 3.16Å; L82-L110 HydrophobicContact CD2-CD1 4.38Å; L82-L110 VanDerWaalsContact O-CA 3.32Å; L82-L110 WeakPolarHBondContact O-CA 3.27Å; L82-L110 PolarHBondContact O-N 3.27Å
83Q98.6Very high96.4Very high77 Ų7746.7 Ų46.736%0.3625%0.249SC..  trans-101.6-37.6-179.4-61.51774.200111.8T54 N81 S109 T111 E112T54-Q83 HydrophobicContact CG2-CG 4.4Å; T54-Q83 WeakPolarHBondContact O-CA 3.21Å; T54-Q83 WeakPolarHBondContact O-CB 3.24Å; T54-Q83 PolarHBondContact O-N 2.99Å; N81-Q83 PolarHBondContact O-N 2.81Å; Q83-S109 WeakPolarHBondContact CA-O 3.09Å; Q83-T111 PolarHBondContact O-N 2.82Å; Q83-T111 PolarHBondContact O-OG1 3.14Å; Q83-E112 PolarHBondContact O-N 3.04Å
84K98.8Very high96.5Very high53 Ų5345 Ų4523%0.2325%0.249CC..EExtended strand (participates in β ladder)trans-125.9129.2-179-48.7-172.9179.4160.50111.3T54 E55 L56 E112T54-K84 PolarHBondContact O-N 2.92Å; E55-K84 HydrophobicContact CB-CB 4.35Å; E55-K84 HydrophobicContact CG-CB 4.12Å; E55-K84 HydrophobicContact CG-CD 3.87Å; E55-K84 HydrophobicContact CG-CG 4.02Å; E55-K84 WeakPolarHBondContact OE1-CE 3.5Å; E55-K84 IonicContact OE1-NZ 3.63Å; E55-K84 PolarHBondContact OE1-NZ 3.39Å; E55-K84 IonicContact OE2-NZ 3.21Å; L56-K84 PolarHBondContact N-O 2.82Å; K84-E112 HydrophobicContact CB-CB 4.15Å; K84-E112 HydrophobicContact CB-CG 4.47Å; K84-E112 WeakPolarHBondContact CD-OE2 3.28Å; K84-E112 WeakPolarHBondContact CE-OE2 3.32Å; K84-E112 HydrophobicContact CG-CB 3.9Å; K84-E112 HydrophobicContact CG-CG 4.39Å
85L98.8Very high96.6Very high0 Ų047.6 Ų47.60%027%0.271CS..EExtended strand (participates in β ladder)trans-127.4114.3175.8178.961.4000109.6L56 L71 L75 L82 L87 L100 L110 E112 L113 H114L56-L85 HydrophobicContact CB-CD1 4.42Å; L56-L85 HydrophobicContact CD2-CD1 4.19Å; L56-L85 HydrophobicContact CG-CD1 4.44Å; L56-L85 WeakPolarHBondContact O-CA 3.16Å; L71-L85 HydrophobicContact CD2-CD1 4.39Å; L75-L85 HydrophobicContact CD1-CD1 4.5Å; L75-L85 HydrophobicContact CD1-CD2 3.73Å; L82-L85 HydrophobicContact CD2-CB 3.97Å; L82-L85 HydrophobicContact CD2-CD1 4.11Å; L85-L87 HydrophobicContact CD1-CD1 4.25Å; L85-L87 HydrophobicContact CD1-CD2 4.19Å; L85-L87 HydrophobicContact CD1-CG 4.02Å; L85-L87 HydrophobicContact CD2-CD1 3.97Å; L85-L87 HydrophobicContact CG-CD1 4.04Å; L85-L87 HydrophobicContact CG-CG 4.04Å; L85-L100 HydrophobicContact CD2-CD2 4.38Å; L85-L110 HydrophobicContact CB-CD1 3.82Å; L85-E112 PolarHBondContact N-O 2.76Å; L85-L113 HydrophobicContact CB-CD1 4.21Å; L85-L113 HydrophobicContact CD2-CD1 4.03Å; L85-L113 HydrophobicContact CG-CD1 4.18Å; L85-L113 WeakPolarHBondContact O-CA 3.14Å; L85-H114 PolarHBondContact O-N 3.05Å
86W98.8Very high96.7Very high46 Ų4647.5 Ų47.517%0.17427%0.27CS..EExtended strand (participates in β ladder)trans-112.8122.3175.2-51.8-11.9000110.5L56 K57 L58 N59 E112 H114L56-W86 PolarHBondContact O-N 3.05Å; K57-W86 HydrophobicContact CB-CB 4.2Å; K57-W86 HydrophobicContact CB-CD2 4.21Å; K57-W86 HydrophobicContact CB-CE3 3.91Å; K57-W86 HydrophobicContact CB-CG 4.37Å; K57-W86 HydrophobicContact CD-CD2 3.77Å; K57-W86 HydrophobicContact CD-CE3 3.39Å; K57-W86 HydrophobicContact CD-CH2 3.97Å; K57-W86 HydrophobicContact CD-CZ2 4.27Å; K57-W86 HydrophobicContact CD-CZ3 3.51Å; K57-W86 HydrophobicContact CG-CB 4.21Å; K57-W86 HydrophobicContact CG-CD2 3.56Å; K57-W86 HydrophobicContact CG-CE3 3.53Å; K57-W86 HydrophobicContact CG-CG 3.87Å; K57-W86 HydrophobicContact CG-CZ3 4.2Å; L58-W86 PolarHBondContact N-O 3.33Å; N59-W86 VanDerWaalsContact OD1-C 3.27Å; N59-W86 WeakPolarHBondContact OD1-CB 3.37Å; W86-E112 VanDerWaalsContact CE2-OE1 3.27Å; W86-E112 VanDerWaalsContact CZ2-OE1 3.27Å; W86-E112 WeakPolarHBondContact CZ2-OE1 3.22Å; W86-E112 PolarHBondContact NE1-OE1 3.44Å; W86-H114 HydrophobicContact CB-CB 4.07Å; W86-H114 AromaticContact CD1-CD2 3.72Å; W86-H114 AromaticContact CD1-CG 3.49Å; W86-H114 VanDerWaalsContact CD1-CG 3.49Å; W86-H114 AromaticContact CD1-ND1 3.79Å; W86-H114 AromaticContact CD2-ND1 3.97Å; W86-H114 AromaticContact CE2-CE1 3.72Å; W86-H114 AromaticContact CE2-ND1 3.78Å; W86-H114 HydrophobicContact CG-CB 4.01Å; W86-H114 AromaticContact CG-CG 3.97Å; W86-H114 AromaticContact CZ2-CE1 3.93Å; W86-H114 AromaticContact NE1-CD2 3.68Å; W86-H114 AromaticContact NE1-CE1 3.58Å; W86-H114 AromaticContact NE1-CG 3.71Å; W86-H114 AromaticContact NE1-ND1 3.66Å; W86-H114 AromaticContact NE1-NE2 3.61Å
87L98.8Very high96.8Very high0 Ų044 Ų440%025%0.252CS..  trans-133.735.7-179.3-60.1172.4000109.7L58 N59 L63 V68 L71 L85 C90 L92 L100 H114 V115 N118L58-L87 HydrophobicContact CB-CD2 4.23Å; L58-L87 HydrophobicContact CD1-CD2 4.2Å; N59-L87 PolarHBondContact OD1-N 3.15Å; L63-L87 HydrophobicContact CD1-CD2 3.95Å; V68-L87 HydrophobicContact CG1-CD1 4.5Å; V68-L87 HydrophobicContact CG2-CD1 4.1Å; L71-L87 HydrophobicContact CD2-CD2 3.99Å; L85-L87 HydrophobicContact CD1-CD1 4.25Å; L85-L87 HydrophobicContact CD1-CD2 4.19Å; L85-L87 HydrophobicContact CD1-CG 4.02Å; L85-L87 HydrophobicContact CD2-CD1 3.97Å; L85-L87 HydrophobicContact CG-CD1 4.04Å; L85-L87 HydrophobicContact CG-CG 4.04Å; L87-C90 VanDerWaalsContact CA-SG 3.55Å; L87-C90 HydrophobicContact CB-CB 4.36Å; L87-C90 WeakPolarHBondContact O-CB 3.47Å; L87-L92 HydrophobicContact CB-CD1 4.01Å; L87-L92 HydrophobicContact CD1-CD1 4.29Å; L87-L100 HydrophobicContact CD1-CD2 4.09Å; L87-H114 CarbonylContact C-O 3.17Å; L87-H114 PolarHBondContact N-O 2.98Å; L87-V115 HydrophobicContact CB-CG1 4.39Å; L87-N118 PolarHBondContact O-ND2 2.91Å
88Q98.6Very high97Very high46 Ų4644.9 Ų44.922%0.21526%0.255CS..THydrogen-bonded Turntrans-68.9137.7178.9-174.4179.7-1300109.8N59 N60 C90 G116 D117N59-Q88 CarbonylContact C-O 3.39Å; N59-Q88 WeakPolarHBondContact CA-O 3.44Å; N59-Q88 HydrophobicContact CB-CB 4.32Å; N59-Q88 WeakPolarHBondContact OD1-CB 3.46Å; N59-Q88 PolarHBondContact OD1-N 2.97Å; N60-Q88 PolarHBondContact N-O 3.13Å; Q88-C90 VanDerWaalsContact C-N 3.33Å; Q88-C90 PolarHBondContact O-N 3.35Å; Q88-G116 CarbonylContact C-O 3.58Å; Q88-G116 VanDerWaalsContact CA-O 3.25Å; Q88-G116 WeakPolarHBondContact CA-O 3.48Å; Q88-G116 WeakPolarHBondContact CG-O 3.44Å; Q88-D117 HydrophobicContact CG-CB 4.16Å; Q88-D117 WeakPolarHBondContact CG-OD2 3.23Å; Q88-D117 PolarHBondContact NE2-OD2 3.48Å
89N98.5Very high97.4Very high76 Ų7640.3 Ų40.341%0.40623%0.225SC..THydrogen-bonded Turntrans51.250.7-178.5-170.226.4000112.5N60 N61 G116 D117N60-N89 WeakPolarHBondContact CA-O 3.37Å; N60-N89 PolarHBondContact N-O 3.48Å; N60-N89 WeakPolarHBondContact OD1-CB 3.33Å; N60-N89 PolarHBondContact OD1-ND2 3.33Å; N61-N89 PolarHBondContact N-O 3.4Å; N89-G116 PolarHBondContact N-O 3.39Å; N89-D117 WeakPolarHBondContact CA-O 3.5Å; N89-D117 HydrophobicContact CB-CB 3.74Å
90C98.6Very high98Very high0 Ų037.1 Ų37.10%020%0.202CC..SBendtrans-106.314.3-177.7-75.90000114.2L58 N61 L63 G64 L87 Q88 L92 N118L58-C90 PolarHBondContact O-SG 3.21Å; N61-C90 CarbonylContact O-C 3.48Å; N61-C90 WeakPolarHBondContact O-CA 3.32Å; L63-C90 HydrophobicContact CB-CB 4.46Å; L63-C90 HydrophobicContact CD1-CB 4.28Å; L63-C90 HydrophobicContact CG-CB 4.28Å; L63-C90 PolarHBondContact N-O 3.01Å; G64-C90 PolarHBondContact N-O 3.48Å; L87-C90 VanDerWaalsContact CA-SG 3.55Å; L87-C90 HydrophobicContact CB-CB 4.36Å; L87-C90 WeakPolarHBondContact O-CB 3.47Å; Q88-C90 VanDerWaalsContact C-N 3.33Å; Q88-C90 PolarHBondContact O-N 3.35Å; C90-L92 VanDerWaalsContact C-N 3.28Å; C90-L92 HydrophobicContact CB-CD1 4.38Å; C90-L92 HydrophobicContact CB-CD2 3.89Å; C90-L92 HydrophobicContact CB-CG 3.87Å; C90-L92 WeakPolarHBondContact O-CD2 3.37Å; C90-L92 PolarHBondContact O-N 3.4Å; C90-N118 PolarHBondContact N-OD1 3.2Å
91N98.3Very high98.3Very high97 Ų9739.8 Ų39.852%0.51921%0.21SC..  trans56.440.3-173.8-166.522.9000112.8G64 N118G64-N91 WeakPolarHBondContact CA-O 3.45Å; N91-N118 PolarHBondContact N-OD1 2.84Å
92L98.6Very high98.5Very high1 Ų137.8 Ų37.81%0.00520%0.203CC..  trans-85.3145178.2-47.6-173.2000110.8V68 L87 C90 N118 R119 L120V68-L92 HydrophobicContact CB-CD2 4.21Å; V68-L92 HydrophobicContact CG2-CD1 3.97Å; V68-L92 HydrophobicContact CG2-CD2 3.26Å; V68-L92 HydrophobicContact CG2-CG 4.25Å; L87-L92 HydrophobicContact CB-CD1 4.01Å; L87-L92 HydrophobicContact CD1-CD1 4.29Å; C90-L92 VanDerWaalsContact C-N 3.28Å; C90-L92 HydrophobicContact CB-CD1 4.38Å; C90-L92 HydrophobicContact CB-CD2 3.89Å; C90-L92 HydrophobicContact CB-CG 3.87Å; C90-L92 WeakPolarHBondContact O-CD2 3.37Å; C90-L92 PolarHBondContact O-N 3.4Å; L92-N118 HydrophobicContact CB-CB 3.92Å; L92-N118 WeakPolarHBondContact CB-OD1 3.48Å; L92-N118 WeakPolarHBondContact CG-OD1 3.46Å; L92-N118 PolarHBondContact N-OD1 2.82Å; L92-R119 PolarHBondContact O-N 3.08Å; L92-L120 HydrophobicContact CB-CD2 3.89Å
93T98.6Very high98.5Very high47 Ų4737.8 Ų37.829%0.28820%0.203SC..BIsolated β-bridgetrans-118.3-178.8173.482.60000111.1D65 A95 S96 R119D65-T93 PolarHBondContact OD1-N 3.43Å; D65-T93 PolarHBondContact OD1-OG1 2.86Å; D65-T93 WeakPolarHBondContact OD2-CG2 3.27Å; D65-T93 PolarHBondContact OD2-OG1 3.45Å; T93-A95 PolarHBondContact O-N 3.25Å; T93-A95 PolarHBondContact OG1-N 3.42Å; T93-S96 WeakPolarHBondContact O-CB 3.35Å; T93-S96 PolarHBondContact O-N 2.79Å; T93-R119 WeakPolarHBondContact CA-O 3.23Å
94S98.1Very high98.5Very high61 Ų6134.2 Ų34.243%0.42719%0.186SC..THydrogen-bonded Turntrans-49.7-26.2171.565.60000114.5C97 L120S94-C97 VanDerWaalsContact O-CB 3.31Å; S94-C97 WeakPolarHBondContact O-CB 3.18Å; S94-C97 PolarHBondContact O-N 3.24Å; S94-L120 WeakPolarHBondContact CA-O 3.11Å; S94-L120 VanDerWaalsContact CB-O 3.25Å; S94-L120 WeakPolarHBondContact CB-O 3.21Å
95A97.9Very high98.4Very high57 Ų5732.6 Ų32.647%0.47118%0.182SC..THydrogen-bonded Turntrans-66.9-36.2178.700000112.5D65 T93 C97 E98D65-A95 HydrophobicContact CB-CB 4.36Å; T93-A95 PolarHBondContact O-N 3.25Å; T93-A95 PolarHBondContact OG1-N 3.42Å; A95-C97 PolarHBondContact O-N 2.71Å; A95-E98 PolarHBondContact O-N 3.41Å
96S98.4Very high98.3Very high1 Ų134.8 Ų34.81%0.00720%0.2CC..Hα-helixtrans-61.7-27.2174.2-76.80000113.1D65 T93 E98 T99 L100D65-S96 WeakPolarHBondContact CA-OG 3.39Å; D65-S96 WeakPolarHBondContact OD1-CB 3.36Å; D65-S96 PolarHBondContact OD1-N 3.22Å; D65-S96 PolarHBondContact OD1-OG 3.47Å; T93-S96 WeakPolarHBondContact O-CB 3.35Å; T93-S96 PolarHBondContact O-N 2.79Å; S96-E98 VanDerWaalsContact C-N 3.27Å; S96-E98 PolarHBondContact O-N 3.01Å; S96-T99 PolarHBondContact O-N 3.28Å; S96-T99 VanDerWaalsContact O-N 3.14Å; S96-L100 WeakPolarHBondContact O-CG 3.39Å; S96-L100 PolarHBondContact O-N 3.5Å
97C98.6Very high98.2Very high0 Ų033.2 Ų33.20%019%0.194CC..Hα-helixtrans-64-29.4-175.5-61.70000113.2S94 A95 R101 G124 V127S94-C97 VanDerWaalsContact O-CB 3.31Å; S94-C97 WeakPolarHBondContact O-CB 3.18Å; S94-C97 PolarHBondContact O-N 3.24Å; A95-C97 PolarHBondContact O-N 2.71Å; C97-R101 WeakPolarHBondContact O-CB 3.43Å; C97-R101 PolarHBondContact O-N 3.24Å; C97-G124 WeakPolarHBondContact CB-O 3.37Å; C97-G124 VanDerWaalsContact SG-CA 3.5Å; C97-G124 PolarHBondContact SG-O 3.14Å; C97-G124 VanDerWaalsContact SG-O 3.39Å; C97-V127 HydrophobicContact CB-CB 4.2Å; C97-V127 HydrophobicContact CB-CG1 4.27Å
98E98.3Very high98.1Very high89 Ų8936.5 Ų36.542%0.41622%0.216SC..Hα-helixtrans-67.1-40.6174.3-80.2-63.1169.400112.5A95 S96 R101 S102 V127A95-E98 PolarHBondContact O-N 3.41Å; S96-E98 VanDerWaalsContact C-N 3.27Å; S96-E98 PolarHBondContact O-N 3.01Å; E98-R101 IonicContact OE2-CZ 3.6Å; E98-R101 IonicContact OE2-NE 2.85Å; E98-R101 PolarHBondContact OE2-NE 3.2Å; E98-R101 IonicContact OE2-NH2 3.43Å; E98-S102 PolarHBondContact O-N 2.98Å; E98-S102 VanDerWaalsContact O-N 3.16Å; E98-S102 PolarHBondContact O-OG 3.31Å; E98-V127 HydrophobicContact CB-CG1 4.49Å; E98-V127 HydrophobicContact CG-CG1 3.9Å; E98-V127 VanDerWaalsContact OE1-CG1 3.28Å; E98-V127 WeakPolarHBondContact OE1-CG1 3.34Å
99T97.7Very high98Very high30 Ų3035.2 Ų35.218%0.18421%0.212CC..Hα-helixtrans-67.3-46.3177.1-510000110.1C72 S96 R101 S102 V103C72-T99 HydrophobicContact CB-CG2 3.19Å; C72-T99 WeakPolarHBondContact SG-CG2 3.2Å; S96-T99 PolarHBondContact O-N 3.28Å; S96-T99 VanDerWaalsContact O-N 3.14Å; T99-R101 PolarHBondContact O-N 3.14Å; T99-S102 WeakPolarHBondContact O-CB 3.45Å; T99-S102 PolarHBondContact O-N 2.87Å; T99-S102 VanDerWaalsContact O-N 3.14Å; T99-V103 PolarHBondContact O-N 2.98Å; T99-V103 VanDerWaalsContact O-N 3.09Å
100L98.6Very high98Very high3 Ų331.9 Ų31.92%0.01619%0.194CC..Hα-helixtrans-65.6-37.7177.6-68.1170.1000112.5V68 L85 L87 S96 S102 V103 L104 V115 L128V68-L100 HydrophobicContact CG1-CD2 4.2Å; V68-L100 HydrophobicContact CG1-CG 4.27Å; L85-L100 HydrophobicContact CD2-CD2 4.38Å; L87-L100 HydrophobicContact CD1-CD2 4.09Å; S96-L100 WeakPolarHBondContact O-CG 3.39Å; S96-L100 PolarHBondContact O-N 3.5Å; L100-S102 PolarHBondContact O-N 2.8Å; L100-V103 PolarHBondContact O-N 3.47Å; L100-V103 VanDerWaalsContact O-N 3.16Å; L100-L104 WeakPolarHBondContact O-CG 3.46Å; L100-L104 PolarHBondContact O-N 3.27Å; L100-V115 HydrophobicContact CD1-CG1 4.14Å; L100-L128 HydrophobicContact CB-CD1 3.66Å
101R98.7Very high98Very high67 Ų6733.4 Ų33.425%0.25320%0.203SC..Hα-helixtrans-54.9-42.7171.1-178.2-162.967.173.14.9111.2C97 E98 T99 S105 V127 Q130C97-R101 WeakPolarHBondContact O-CB 3.43Å; C97-R101 PolarHBondContact O-N 3.24Å; E98-R101 IonicContact OE2-CZ 3.6Å; E98-R101 IonicContact OE2-NE 2.85Å; E98-R101 PolarHBondContact OE2-NE 3.2Å; E98-R101 IonicContact OE2-NH2 3.43Å; T99-R101 PolarHBondContact O-N 3.14Å; R101-S105 WeakPolarHBondContact O-CB 3.37Å; R101-S105 PolarHBondContact O-N 2.85Å; R101-S105 VanDerWaalsContact O-N 3.1Å; R101-S105 PolarHBondContact O-OG 2.82Å; R101-V127 HydrophobicContact CB-CG1 4.09Å; R101-V127 WeakPolarHBondContact CD-O 3.41Å; R101-V127 HydrophobicContact CG-CG1 4.39Å; R101-V127 WeakPolarHBondContact CG-O 3.45Å; R101-Q130 HydrophobicContact CG-CB 4.3Å
102S98.3Very high98.1Very high38 Ų3830.1 Ų30.127%0.26619%0.185SC..Hα-helixtrans-66.4-42178.7-57.80000111.5E98 T99 L100 S105 A106E98-S102 PolarHBondContact O-N 2.98Å; E98-S102 VanDerWaalsContact O-N 3.16Å; E98-S102 PolarHBondContact O-OG 3.31Å; T99-S102 WeakPolarHBondContact O-CB 3.45Å; T99-S102 PolarHBondContact O-N 2.87Å; T99-S102 VanDerWaalsContact O-N 3.14Å; L100-S102 PolarHBondContact O-N 2.8Å; S102-S105 PolarHBondContact O-N 3.28Å; S102-A106 WeakPolarHBondContact O-CB 3.31Å; S102-A106 PolarHBondContact O-N 3.29Å
103V98.3Very high98.1Very high4 Ų430.1 Ų30.12%0.02419%0.185CC..Hα-helixtrans-61.3-50.3175.1173.90000111.3C72 L75 L76 T99 L100 S105 A106 Q107 L110C72-V103 HydrophobicContact CB-CG2 3.83Å; L75-V103 HydrophobicContact CB-CG1 4.18Å; L75-V103 HydrophobicContact CB-CG2 4Å; L75-V103 HydrophobicContact CD1-CG1 4.35Å; L75-V103 HydrophobicContact CD1-CG2 4.32Å; L76-V103 HydrophobicContact CD2-CG2 4.13Å; L76-V103 HydrophobicContact CG-CG2 4.18Å; T99-V103 PolarHBondContact O-N 2.98Å; T99-V103 VanDerWaalsContact O-N 3.09Å; L100-V103 PolarHBondContact O-N 3.47Å; L100-V103 VanDerWaalsContact O-N 3.16Å; V103-S105 PolarHBondContact O-N 2.82Å; V103-A106 PolarHBondContact O-N 3.27Å; V103-Q107 HydrophobicContact CG1-CG 4.24Å; V103-Q107 PolarHBondContact O-N 3.07Å; V103-L110 HydrophobicContact CG1-CD2 4.24Å
104L98.2Very high98.1Very high2 Ų228.4 Ų28.41%0.0117%0.174CC..Hα-helixtrans-57.6-34178-72.4172.4000112.6L100 L110 L113 L128 L132 C137 L139L100-L104 WeakPolarHBondContact O-CG 3.46Å; L100-L104 PolarHBondContact O-N 3.27Å; L104-L110 HydrophobicContact CD2-CD2 4.06Å; L104-L113 HydrophobicContact CD1-CD2 4.28Å; L104-L113 HydrophobicContact CD2-CD2 4.22Å; L104-L113 HydrophobicContact CG-CD2 4.49Å; L104-L128 HydrophobicContact CD1-CD1 3.47Å; L104-L128 VanDerWaalsContact CD1-CD1 3.47Å; L104-L128 HydrophobicContact CD1-CG 3.9Å; L104-L132 HydrophobicContact CD1-CD2 3.82Å; L104-L132 HydrophobicContact CD1-CG 4.05Å; L104-L132 HydrophobicContact CD2-CD2 4.26Å; L104-C137 WeakPolarHBondContact O-CA 3.4Å; L104-C137 VanDerWaalsContact O-CB 3.25Å; L104-C137 WeakPolarHBondContact O-CB 3.49Å; L104-L139 HydrophobicContact CD2-CD1 4.04Å; L104-L139 HydrophobicContact CD2-CD2 4.26Å
105S97.6Very high98.1Very high20 Ų2025.5 Ų25.514%0.1415%0.153CC..Hα-helixtrans-75.7-27.8178-60.80000113.5R101 S102 V103 N134 N136R101-S105 WeakPolarHBondContact O-CB 3.37Å; R101-S105 PolarHBondContact O-N 2.85Å; R101-S105 VanDerWaalsContact O-N 3.1Å; R101-S105 PolarHBondContact O-OG 2.82Å; S102-S105 PolarHBondContact O-N 3.28Å; V103-S105 PolarHBondContact O-N 2.82Å; S105-N134 WeakPolarHBondContact CB-ND2 3.23Å; S105-N136 WeakPolarHBondContact O-CB 3.3Å
106A96.4Very high98.1Very high45 Ų4522.8 Ų22.837%0.37213%0.131SC..Hα-helixtrans-96.1-33.1-173.300000113.3L76 S102 V103 P108L76-A106 HydrophobicContact CD2-CB 3.83Å; S102-A106 WeakPolarHBondContact O-CB 3.31Å; S102-A106 PolarHBondContact O-N 3.29Å; V103-A106 PolarHBondContact O-N 3.27Å; A106-P108 WeakPolarHBondContact O-CD 3.46Å
107Q96.4Very high98.2Very high14 Ų1425.5 Ų25.57%0.06515%0.145CC..  trans-108.997.3-168.6-60.5-54.2-27.900112.2L75 M77 C80 V103 S109 L110L75-Q107 WeakPolarHBondContact O-CG 3.34Å; L75-Q107 PolarHBondContact O-NE2 3.48Å; M77-Q107 PolarHBondContact O-NE2 3.18Å; M77-Q107 VanDerWaalsContact O-NE2 3.15Å; C80-Q107 PolarHBondContact O-OE1 3.26Å; V103-Q107 HydrophobicContact CG1-CG 4.24Å; V103-Q107 PolarHBondContact O-N 3.07Å; Q107-S109 PolarHBondContact O-N 2.92Å; Q107-L110 HydrophobicContact CB-CB 4.4Å; Q107-L110 PolarHBondContact O-N 3.38Å
108P96.7Very high98.2Very high69 Ų6925.6 Ų25.645%0.44815%0.146SC..THydrogen-bonded Turntrans-73-13.9174.931.8-36.7000113A106 L110 N136 K138A106-P108 WeakPolarHBondContact O-CD 3.46Å; P108-L110 VanDerWaalsContact C-N 3.31Å; P108-N136 WeakPolarHBondContact CA-O 3.37Å; P108-N136 WeakPolarHBondContact CB-O 3.46Å; P108-K138 HydrophobicContact CB-CG 4.13Å; P108-K138 WeakPolarHBondContact O-CB 3.46Å
109S97.5Very high98.2Very high19 Ų1929.8 Ų29.813%0.13316%0.158CC..THydrogen-bonded Turntrans-69.7-2817543.80000112.3L82 Q83 Q107 T111L82-S109 CarbonylContact O-C 3.21Å; L82-S109 PolarHBondContact O-OG 3.16Å; Q83-S109 WeakPolarHBondContact CA-O 3.09Å; Q107-S109 PolarHBondContact O-N 2.92Å; S109-T111 PolarHBondContact O-N 2.9Å
110L98.6Very high98.2Very high6 Ų628.4 Ų28.43%0.03115%0.149CC..  trans-74.6113.5-176.6-166.773.3000110.8L82 L85 V103 L104 Q107 P108 L139L82-L110 HydrophobicContact CD2-CD1 4.38Å; L82-L110 VanDerWaalsContact O-CA 3.32Å; L82-L110 WeakPolarHBondContact O-CA 3.27Å; L82-L110 PolarHBondContact O-N 3.27Å; L85-L110 HydrophobicContact CB-CD1 3.82Å; V103-L110 HydrophobicContact CG1-CD2 4.24Å; L104-L110 HydrophobicContact CD2-CD2 4.06Å; Q107-L110 HydrophobicContact CB-CB 4.4Å; Q107-L110 PolarHBondContact O-N 3.38Å; P108-L110 VanDerWaalsContact C-N 3.31Å; L110-L139 HydrophobicContact CD2-CD1 4.45Å; L110-L139 HydrophobicContact CG-CD1 4.25Å
111T98.8Very high98.2Very high32 Ų3229 Ų2920%0.19616%0.156CC..  trans-109.5-16.5-178.753.30000113Q83 S109 Q140 T141Q83-T111 PolarHBondContact O-N 2.82Å; Q83-T111 PolarHBondContact O-OG1 3.14Å; S109-T111 PolarHBondContact O-N 2.9Å; T111-Q140 HydrophobicContact CG2-CG 4.22Å; T111-Q140 WeakPolarHBondContact O-CA 3.41Å; T111-Q140 WeakPolarHBondContact O-CB 3.43Å; T111-Q140 PolarHBondContact O-N 2.85Å; T111-T141 PolarHBondContact O-N 3.19Å
112E98.9Very high98.2Very high27 Ų2726.8 Ų26.813%0.12615%0.15CC..EExtended strand (participates in β ladder)trans-141.4127.3-175.4-178.5174.4140.400111.1Q83 K84 L85 W86 H114 T141Q83-E112 PolarHBondContact O-N 3.04Å; K84-E112 HydrophobicContact CB-CB 4.15Å; K84-E112 HydrophobicContact CB-CG 4.47Å; K84-E112 WeakPolarHBondContact CD-OE2 3.28Å; K84-E112 WeakPolarHBondContact CE-OE2 3.32Å; K84-E112 HydrophobicContact CG-CB 3.9Å; K84-E112 HydrophobicContact CG-CG 4.39Å; L85-E112 PolarHBondContact N-O 2.76Å; W86-E112 VanDerWaalsContact CE2-OE1 3.27Å; W86-E112 VanDerWaalsContact CZ2-OE1 3.27Å; W86-E112 WeakPolarHBondContact CZ2-OE1 3.22Å; W86-E112 PolarHBondContact NE1-OE1 3.44Å; E112-H114 WeakPolarHBondContact CG-NE2 3.31Å; E112-H114 IonicContact OE1-CE1 2.75Å; E112-H114 IonicContact OE1-NE2 2.73Å; E112-H114 PolarHBondContact OE1-NE2 2.91Å; E112-T141 HydrophobicContact CG-CG2 3.88Å
113L98.9Very high98.2Very high1 Ų128.4 Ų28.41%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-133.1117.1179.717964.4000110.1L85 L104 V115 L128 L139 T141 L142 Q143L85-L113 HydrophobicContact CB-CD1 4.21Å; L85-L113 HydrophobicContact CD2-CD1 4.03Å; L85-L113 HydrophobicContact CG-CD1 4.18Å; L85-L113 WeakPolarHBondContact O-CA 3.14Å; L104-L113 HydrophobicContact CD1-CD2 4.28Å; L104-L113 HydrophobicContact CD2-CD2 4.22Å; L104-L113 HydrophobicContact CG-CD2 4.49Å; L113-V115 HydrophobicContact CD1-CG1 3.72Å; L113-V115 HydrophobicContact CD2-CG1 4.35Å; L113-V115 HydrophobicContact CG-CG1 3.91Å; L113-L128 HydrophobicContact CD2-CD1 4.34Å; L113-L128 HydrophobicContact CD2-CD2 4.38Å; L113-L139 HydrophobicContact CB-CD1 3.92Å; L113-L139 HydrophobicContact CB-CD2 4.12Å; L113-T141 PolarHBondContact N-O 3.02Å; L113-L142 HydrophobicContact CB-CD1 4.46Å; L113-L142 HydrophobicContact CD2-CD1 4.31Å; L113-Q143 PolarHBondContact O-N 3.5Å; L113-Q143 VanDerWaalsContact O-N 3.08Å
114H98.9Very high98.2Very high12 Ų1228.3 Ų28.36%0.05617%0.165CC..EExtended strand (participates in β ladder)trans-111.6118.4174-62.9-159.5000108.6L85 W86 L87 E112 Q143L85-H114 PolarHBondContact O-N 3.05Å; W86-H114 HydrophobicContact CB-CB 4.07Å; W86-H114 AromaticContact CD1-CD2 3.72Å; W86-H114 AromaticContact CD1-CG 3.49Å; W86-H114 VanDerWaalsContact CD1-CG 3.49Å; W86-H114 AromaticContact CD1-ND1 3.79Å; W86-H114 AromaticContact CD2-ND1 3.97Å; W86-H114 AromaticContact CE2-CE1 3.72Å; W86-H114 AromaticContact CE2-ND1 3.78Å; W86-H114 HydrophobicContact CG-CB 4.01Å; W86-H114 AromaticContact CG-CG 3.97Å; W86-H114 AromaticContact CZ2-CE1 3.93Å; W86-H114 AromaticContact NE1-CD2 3.68Å; W86-H114 AromaticContact NE1-CE1 3.58Å; W86-H114 AromaticContact NE1-CG 3.71Å; W86-H114 AromaticContact NE1-ND1 3.66Å; W86-H114 AromaticContact NE1-NE2 3.61Å; L87-H114 CarbonylContact C-O 3.17Å; L87-H114 PolarHBondContact N-O 2.98Å; E112-H114 WeakPolarHBondContact CG-NE2 3.31Å; E112-H114 IonicContact OE1-CE1 2.75Å; E112-H114 IonicContact OE1-NE2 2.73Å; E112-H114 PolarHBondContact OE1-NE2 2.91Å; H114-Q143 HydrophobicContact CB-CB 4.21Å; H114-Q143 PolarHBondContact CE1-NE2 2.92Å; H114-Q143 PolarHBondContact CE1-OE1 2.87Å; H114-Q143 PolarHBondContact ND1-OE1 2.57Å
115V98.8Very high98.3Very high0 Ų028.2 Ų28.20%017%0.165CC..  trans-135.720.7-179.8-67.90000111.1L87 L100 L113 N118 L120 Q143 L144 C147L87-V115 HydrophobicContact CB-CG1 4.39Å; L100-V115 HydrophobicContact CD1-CG1 4.14Å; L113-V115 HydrophobicContact CD1-CG1 3.72Å; L113-V115 HydrophobicContact CD2-CG1 4.35Å; L113-V115 HydrophobicContact CG-CG1 3.91Å; V115-N118 PolarHBondContact O-ND2 3.26Å; V115-L120 HydrophobicContact CB-CD1 4.16Å; V115-L120 HydrophobicContact CG2-CD1 3.8Å; V115-Q143 PolarHBondContact N-O 2.98Å; V115-Q143 VanDerWaalsContact N-O 3.14Å; V115-L144 HydrophobicContact CG2-CD2 3.59Å; V115-C147 PolarHBondContact O-SG 3.31Å
116G98.6Very high98.3Very high0 Ų031 Ų310%018%0.175CC..  trans-60168.7175.800000113.4Q88 N89 N118 E145Q88-G116 CarbonylContact C-O 3.58Å; Q88-G116 VanDerWaalsContact CA-O 3.25Å; Q88-G116 WeakPolarHBondContact CA-O 3.48Å; Q88-G116 WeakPolarHBondContact CG-O 3.44Å; N89-G116 PolarHBondContact N-O 3.39Å; G116-N118 PolarHBondContact O-N 3.19Å; G116-N118 VanDerWaalsContact O-N 3.17Å; G116-N118 PolarHBondContact O-ND2 3.02Å; G116-E145 CarbonylContact C-O 3.51Å; G116-E145 WeakPolarHBondContact CA-O 3.49Å; G116-E145 WeakPolarHBondContact CA-OE1 3.36Å
117D98.6Very high98.4Very high57 Ų5730 Ų3031%0.30516%0.164SC..SBendtrans54.732.7-178.5-59.8-57000113.5Q88 N89 E145 Y146Q88-D117 HydrophobicContact CG-CB 4.16Å; Q88-D117 WeakPolarHBondContact CG-OD2 3.23Å; Q88-D117 PolarHBondContact NE2-OD2 3.48Å; N89-D117 WeakPolarHBondContact CA-O 3.5Å; N89-D117 HydrophobicContact CB-CB 3.74Å; D117-E145 PolarHBondContact N-O 3.34Å; D117-Y146 VanDerWaalsContact OD1-CB 3.25Å; D117-Y146 WeakPolarHBondContact OD1-CB 3.47Å; D117-Y146 VanDerWaalsContact OD1-CD2 3.24Å; D117-Y146 WeakPolarHBondContact OD1-CD2 3.29Å
118N98.8Very high98.5Very high3 Ų329.4 Ų29.42%0.01616%0.161CC..SBendtrans-125.3145.4176.3-71.7-69000110.3L87 C90 N91 L92 V115 G116 L120 C147L87-N118 PolarHBondContact O-ND2 2.91Å; C90-N118 PolarHBondContact N-OD1 3.2Å; N91-N118 PolarHBondContact N-OD1 2.84Å; L92-N118 HydrophobicContact CB-CB 3.92Å; L92-N118 WeakPolarHBondContact CB-OD1 3.48Å; L92-N118 WeakPolarHBondContact CG-OD1 3.46Å; L92-N118 PolarHBondContact N-OD1 2.82Å; V115-N118 PolarHBondContact O-ND2 3.26Å; G116-N118 PolarHBondContact O-N 3.19Å; G116-N118 VanDerWaalsContact O-N 3.17Å; G116-N118 PolarHBondContact O-ND2 3.02Å; N118-L120 HydrophobicContact CB-CD2 3.75Å; N118-L120 HydrophobicContact CB-CG 3.9Å; N118-L120 PolarHBondContact O-N 3.41Å; N118-C147 VanDerWaalsContact O-CA 3.28Å; N118-C147 WeakPolarHBondContact O-CA 3.33Å
119R98.6Very high98.6Very high177 Ų17726.2 Ų26.267%0.66814%0.141SC*.BIsolated β-bridgetrans-81.854.9-178.8-54.6-170.2-177.4168.71.8111.6L92 T93 G121 E148L92-R119 PolarHBondContact O-N 3.08Å; T93-R119 WeakPolarHBondContact CA-O 3.23Å; R119-G121 VanDerWaalsContact C-N 3.3Å; R119-E148 WeakPolarHBondContact CD-OE1 3.47Å; R119-E148 WeakPolarHBondContact CG-OE1 3.31Å; R119-E148 IonicContact NE-OE1 2.91Å
120L98.7Very high98.7Very high1 Ų130.7 Ų30.71%0.00516%0.159CC..  trans-66-38.4-178.2-55.1-173.5000110.9L92 S94 V115 N118 G124 V125 L144L92-L120 HydrophobicContact CB-CD2 3.89Å; S94-L120 WeakPolarHBondContact CA-O 3.11Å; S94-L120 VanDerWaalsContact CB-O 3.25Å; S94-L120 WeakPolarHBondContact CB-O 3.21Å; V115-L120 HydrophobicContact CB-CD1 4.16Å; V115-L120 HydrophobicContact CG2-CD1 3.8Å; N118-L120 HydrophobicContact CB-CD2 3.75Å; N118-L120 HydrophobicContact CB-CG 3.9Å; N118-L120 PolarHBondContact O-N 3.41Å; L120-G124 WeakPolarHBondContact O-CA 3.37Å; L120-G124 PolarHBondContact O-N 2.9Å; L120-V125 HydrophobicContact CB-CG2 3.8Å; L120-V125 HydrophobicContact CD1-CG2 3.96Å; L120-L144 HydrophobicContact CD1-CD2 4.16Å
121G98.6Very high98.7Very high16 Ų1630.4 Ų30.417%0.16516%0.158CC..Hα-helixtrans64.9164.5-175.800000112.9R119 A123 G124 V125 C147R119-G121 VanDerWaalsContact C-N 3.3Å; G121-A123 VanDerWaalsContact C-N 3.25Å; G121-A123 PolarHBondContact O-N 2.97Å; G121-G124 PolarHBondContact O-N 3.19Å; G121-G124 VanDerWaalsContact O-N 3.16Å; G121-V125 PolarHBondContact O-N 2.95Å; G121-C147 WeakPolarHBondContact CA-O 3.48Å; G121-C147 PolarHBondContact N-O 3.26Å
122T98.7Very high98.6Very high19 Ų1929.3 Ų29.312%0.11715%0.151CC..Hα-helixtrans-57-37.5-179.7-63.70000113.1K126 T150 D152 I153T122-K126 HydrophobicContact CG2-CD 4.38Å; T122-K126 WeakPolarHBondContact O-CB 3.03Å; T122-K126 VanDerWaalsContact O-CG 3.3Å; T122-K126 WeakPolarHBondContact O-CG 3.22Å; T122-K126 PolarHBondContact O-N 2.81Å; T122-T150 PolarHBondContact OG1-N 2.74Å; T122-T150 PolarHBondContact OG1-OG1 3.07Å; T122-D152 HydrophobicContact CG2-CB 3.95Å; T122-I153 HydrophobicContact CG2-CB 3.97Å; T122-I153 HydrophobicContact CG2-CD1 4.21Å
123A98.4Very high98.6Very high73 Ų7331.9 Ų31.960%0.60316%0.164SC*.Hα-helixtrans-65.3-43.5178.600000112.3G121 K126 V127G121-A123 VanDerWaalsContact C-N 3.25Å; G121-A123 PolarHBondContact O-N 2.97Å; A123-K126 PolarHBondContact O-N 3.46Å; A123-V127 PolarHBondContact O-N 3.25Å
124G98.7Very high98.6Very high1 Ų134 Ų341%0.0118%0.175CC..Hα-helixtrans-63.8-46.3176.800000111.9C97 L120 G121 K126 V127 L128C97-G124 WeakPolarHBondContact CB-O 3.37Å; C97-G124 VanDerWaalsContact SG-CA 3.5Å; C97-G124 PolarHBondContact SG-O 3.14Å; C97-G124 VanDerWaalsContact SG-O 3.39Å; L120-G124 WeakPolarHBondContact O-CA 3.37Å; L120-G124 PolarHBondContact O-N 2.9Å; G121-G124 PolarHBondContact O-N 3.19Å; G121-G124 VanDerWaalsContact O-N 3.16Å; G124-K126 VanDerWaalsContact C-N 3.3Å; G124-K126 PolarHBondContact O-N 3.16Å; G124-V127 WeakPolarHBondContact O-CA 3.26Å; G124-V127 VanDerWaalsContact O-CB 3.28Å; G124-V127 WeakPolarHBondContact O-CB 3.31Å; G124-V127 PolarHBondContact O-N 2.85Å; G124-L128 PolarHBondContact O-N 2.89Å
125V98.8Very high98.5Very high1 Ų138 Ų381%0.00620%0.202CC..Hα-helixtrans-69.7-27.6-179.6-176.30000112.3L120 G121 V127 L128 C129 L144 L149 I153L120-V125 HydrophobicContact CB-CG2 3.8Å; L120-V125 HydrophobicContact CD1-CG2 3.96Å; G121-V125 PolarHBondContact O-N 2.95Å; V125-V127 VanDerWaalsContact C-N 3.3Å; V125-V127 PolarHBondContact O-N 2.84Å; V125-L128 WeakPolarHBondContact O-CB 3.45Å; V125-L128 PolarHBondContact O-N 3.42Å; V125-C129 PolarHBondContact O-N 3.17Å; V125-C129 PolarHBondContact O-SG 3.49Å; V125-L144 HydrophobicContact CG1-CD1 3.84Å; V125-L144 HydrophobicContact CG1-CD2 4.22Å; V125-L144 HydrophobicContact CG2-CD2 4.07Å; V125-L149 HydrophobicContact CB-CD2 3.8Å; V125-L149 HydrophobicContact CG1-CD2 4.39Å; V125-L149 HydrophobicContact CG2-CD2 3.45Å; V125-L149 VanDerWaalsContact CG2-CD2 3.45Å; V125-I153 HydrophobicContact CB-CD1 3.77Å; V125-I153 HydrophobicContact CB-CG1 4.43Å; V125-I153 HydrophobicContact CG1-CD1 3.78Å; V125-I153 HydrophobicContact CG1-CG1 4.17Å
126K98.8Very high98.4Very high78 Ų7842.3 Ų42.334%0.33923%0.225SC..Hα-helixtrans-59.6-40.2167.1-78.6-177.4177.6-178.40112.2T122 A123 G124 C129 Q130 D152 I153 A156T122-K126 HydrophobicContact CG2-CD 4.38Å; T122-K126 WeakPolarHBondContact O-CB 3.03Å; T122-K126 VanDerWaalsContact O-CG 3.3Å; T122-K126 WeakPolarHBondContact O-CG 3.22Å; T122-K126 PolarHBondContact O-N 2.81Å; A123-K126 PolarHBondContact O-N 3.46Å; G124-K126 VanDerWaalsContact C-N 3.3Å; G124-K126 PolarHBondContact O-N 3.16Å; K126-C129 WeakPolarHBondContact O-CB 3.48Å; K126-C129 PolarHBondContact O-N 3.5Å; K126-Q130 PolarHBondContact O-N 2.91Å; K126-D152 WeakPolarHBondContact CE-O 3.5Å; K126-D152 PolarHBondContact NZ-O 3.13Å; K126-I153 HydrophobicContact CG-CD1 3.82Å; K126-A156 HydrophobicContact CB-CB 4.46Å; K126-A156 HydrophobicContact CG-CB 3.79Å
127V98.8Very high98.3Very high25 Ų2542.4 Ų42.415%0.15223%0.226CC..Hα-helixtrans-64.7-44.6173.51730000110.5C97 E98 R101 A123 G124 V125 C129 Q130C97-V127 HydrophobicContact CB-CB 4.2Å; C97-V127 HydrophobicContact CB-CG1 4.27Å; E98-V127 HydrophobicContact CB-CG1 4.49Å; E98-V127 HydrophobicContact CG-CG1 3.9Å; E98-V127 VanDerWaalsContact OE1-CG1 3.28Å; E98-V127 WeakPolarHBondContact OE1-CG1 3.34Å; R101-V127 HydrophobicContact CB-CG1 4.09Å; R101-V127 WeakPolarHBondContact CD-O 3.41Å; R101-V127 HydrophobicContact CG-CG1 4.39Å; R101-V127 WeakPolarHBondContact CG-O 3.45Å; A123-V127 PolarHBondContact O-N 3.25Å; G124-V127 WeakPolarHBondContact O-CA 3.26Å; G124-V127 VanDerWaalsContact O-CB 3.28Å; G124-V127 WeakPolarHBondContact O-CB 3.31Å; G124-V127 PolarHBondContact O-N 2.85Å; V125-V127 VanDerWaalsContact C-N 3.3Å; V125-V127 PolarHBondContact O-N 2.84Å; V127-C129 VanDerWaalsContact C-N 3.28Å; V127-C129 PolarHBondContact O-N 3.43Å; V127-Q130 WeakPolarHBondContact O-CB 3.42Å; V127-Q130 PolarHBondContact O-N 3.46Å
128L98.4Very high98.3Very high1 Ų144 Ų441%0.00523%0.23CC..Hα-helixtrans-58.5-41176.4-165.869.8000111.8L100 L104 L113 G124 V125 Q130 G131 L132 L142 L144L100-L128 HydrophobicContact CB-CD1 3.66Å; L104-L128 HydrophobicContact CD1-CD1 3.47Å; L104-L128 VanDerWaalsContact CD1-CD1 3.47Å; L104-L128 HydrophobicContact CD1-CG 3.9Å; L113-L128 HydrophobicContact CD2-CD1 4.34Å; L113-L128 HydrophobicContact CD2-CD2 4.38Å; G124-L128 PolarHBondContact O-N 2.89Å; V125-L128 WeakPolarHBondContact O-CB 3.45Å; V125-L128 PolarHBondContact O-N 3.42Å; L128-Q130 PolarHBondContact O-N 3.24Å; L128-G131 WeakPolarHBondContact O-CA 3.32Å; L128-G131 PolarHBondContact O-N 3.11Å; L128-L132 PolarHBondContact O-N 2.87Å; L128-L142 HydrophobicContact CD2-CD1 4.48Å; L128-L144 HydrophobicContact CD2-CD2 4.23Å
129C98.7Very high98.3Very high2 Ų243.9 Ų43.91%0.01423%0.23CC..Hα-helixtrans-57.9-33.4175.9-70.10000112.7V125 K126 V127 G131 L132 M133 A156 A160V125-C129 PolarHBondContact O-N 3.17Å; V125-C129 PolarHBondContact O-SG 3.49Å; K126-C129 WeakPolarHBondContact O-CB 3.48Å; K126-C129 PolarHBondContact O-N 3.5Å; V127-C129 VanDerWaalsContact C-N 3.28Å; V127-C129 PolarHBondContact O-N 3.43Å; C129-G131 VanDerWaalsContact C-N 3.26Å; C129-G131 PolarHBondContact O-N 3.45Å; C129-L132 CarbonylContact O-C 3.45Å; C129-L132 WeakPolarHBondContact O-CB 3.44Å; C129-L132 PolarHBondContact O-N 3.09Å; C129-M133 VanDerWaalsContact O-CG 3.26Å; C129-M133 WeakPolarHBondContact O-CG 3.15Å; C129-M133 PolarHBondContact O-N 2.82Å; C129-A156 HydrophobicContact CB-CB 4.06Å; C129-A160 HydrophobicContact CB-CB 4.3Å
130Q98.6Very high98.3Very high112 Ų11238.8 Ų38.852%0.52321%0.213SC..Hα-helixtrans-63.8-35174.7-60.61745.600111.9R101 K126 V127 L128 M133R101-Q130 HydrophobicContact CG-CB 4.3Å; K126-Q130 PolarHBondContact O-N 2.91Å; V127-Q130 WeakPolarHBondContact O-CB 3.42Å; V127-Q130 PolarHBondContact O-N 3.46Å; L128-Q130 PolarHBondContact O-N 3.24Å; Q130-M133 PolarHBondContact O-N 3.38Å
131G98.3Very high98.3Very high0 Ų039.2 Ų39.20%022%0.216CC..Hα-helixtrans-71-42.6174.500000111L128 C129 M133 N134L128-G131 WeakPolarHBondContact O-CA 3.32Å; L128-G131 PolarHBondContact O-N 3.11Å; C129-G131 VanDerWaalsContact C-N 3.26Å; C129-G131 PolarHBondContact O-N 3.45Å; G131-M133 PolarHBondContact O-N 3.09Å; G131-N134 WeakPolarHBondContact O-CB 3.32Å; G131-N134 PolarHBondContact O-N 3.03Å
132L98Very high98.3Very high9 Ų938.6 Ų38.65%0.04721%0.209CC..Hα-helixtrans-61.7-23.4170.2-62.6174.3000112.6L104 L128 C129 N134 L139 L142 A160 K164L104-L132 HydrophobicContact CD1-CD2 3.82Å; L104-L132 HydrophobicContact CD1-CG 4.05Å; L104-L132 HydrophobicContact CD2-CD2 4.26Å; L128-L132 PolarHBondContact O-N 2.87Å; C129-L132 CarbonylContact O-C 3.45Å; C129-L132 WeakPolarHBondContact O-CB 3.44Å; C129-L132 PolarHBondContact O-N 3.09Å; L132-N134 VanDerWaalsContact C-N 3.29Å; L132-L139 HydrophobicContact CD2-CB 4.26Å; L132-L139 HydrophobicContact CD2-CD2 3.52Å; L132-L142 HydrophobicContact CD1-CD2 3.58Å; L132-A160 HydrophobicContact CB-CB 3.91Å; L132-A160 HydrophobicContact CD1-CB 4.31Å; L132-K164 VanDerWaalsContact O-CD 3.25Å; L132-K164 WeakPolarHBondContact O-CD 3.42Å; L132-K164 WeakPolarHBondContact O-CE 3.3Å; L132-K164 WeakPolarHBondContact O-CG 3.32Å; L132-K164 PolarHBondContact O-NZ 2.94Å
133M98.3Very high98.3Very high81 Ų8139.9 Ų39.940%0.39921%0.214SC..THydrogen-bonded Turntrans-81-12.5175.9-73.6173.27400112.9C129 Q130 G131 A159 A160 T163C129-M133 VanDerWaalsContact O-CG 3.26Å; C129-M133 WeakPolarHBondContact O-CG 3.15Å; C129-M133 PolarHBondContact O-N 2.82Å; Q130-M133 PolarHBondContact O-N 3.38Å; G131-M133 PolarHBondContact O-N 3.09Å; M133-A159 HydrophobicContact CE-CB 4.03Å; M133-A159 HydrophobicContact SD-CB 3.93Å; M133-A160 HydrophobicContact CG-CB 4.19Å; M133-T163 WeakPolarHBondContact CA-OG1 3.37Å; M133-T163 HydrophobicContact CG-CG2 4.49Å
134N98.1Very high98.4Very high45 Ų4536.4 Ų36.424%0.24119%0.185CC..SBendtrans-63.2134.6178.6-165.1-61.8000111S105 G131 L132 N136 C137 K164S105-N134 WeakPolarHBondContact CB-ND2 3.23Å; G131-N134 WeakPolarHBondContact O-CB 3.32Å; G131-N134 PolarHBondContact O-N 3.03Å; L132-N134 VanDerWaalsContact C-N 3.29Å; N134-N136 PolarHBondContact O-N 2.83Å; N134-N136 WeakPolarHBondContact OD1-CB 2.94Å; N134-N136 PolarHBondContact OD1-N 3.13Å; N134-C137 HydrophobicContact CB-CB 4.46Å; N134-C137 WeakPolarHBondContact O-CB 3.3Å; N134-C137 PolarHBondContact O-N 3.36Å; N134-C137 VanDerWaalsContact O-N 3.17Å; N134-K164 WeakPolarHBondContact O-CE 3.43Å; N134-K164 PolarHBondContact O-NZ 2.85Å
135P97.1Very high98.4Very high98 Ų9837.2 Ų37.264%0.63619%0.188SC*.THydrogen-bonded Turntrans-61.6-25.5177.4-25.234.8000114.9K138P135-K138 PolarHBondContact O-NZ 3.4Å
136N95.9Very high98.3Very high89 Ų8942.8 Ų42.848%0.47621%0.21SC..THydrogen-bonded Turntrans-74.3-26.9177.6-69.1-18.2000112.4S105 P108 N134 K138S105-N136 WeakPolarHBondContact O-CB 3.3Å; P108-N136 WeakPolarHBondContact CA-O 3.37Å; P108-N136 WeakPolarHBondContact CB-O 3.46Å; N134-N136 PolarHBondContact O-N 2.83Å; N134-N136 WeakPolarHBondContact OD1-CB 2.94Å; N134-N136 PolarHBondContact OD1-N 3.13Å; N136-K138 WeakPolarHBondContact O-CG 3.46Å; N136-K138 PolarHBondContact O-N 3.31Å
137C98.1Very high98.3Very high3 Ų339.1 Ų39.12%0.0219%0.194CC..  trans-65.2122178.6-179.40000109.7L104 N134 K164L104-C137 WeakPolarHBondContact O-CA 3.4Å; L104-C137 VanDerWaalsContact O-CB 3.25Å; L104-C137 WeakPolarHBondContact O-CB 3.49Å; N134-C137 HydrophobicContact CB-CB 4.46Å; N134-C137 WeakPolarHBondContact O-CB 3.3Å; N134-C137 PolarHBondContact O-N 3.36Å; N134-C137 VanDerWaalsContact O-N 3.17Å; C137-K164 WeakPolarHBondContact O-CE 3.31Å
138K98.2Very high98.3Very high90 Ų9043.2 Ų43.239%0.39121%0.211SC..  trans-113.626.3179.1-55.5-53.7178.9-163.70112.5P108 P135 N136 Q140 T166P108-K138 HydrophobicContact CB-CG 4.13Å; P108-K138 WeakPolarHBondContact O-CB 3.46Å; P135-K138 PolarHBondContact O-NZ 3.4Å; N136-K138 WeakPolarHBondContact O-CG 3.46Å; N136-K138 PolarHBondContact O-N 3.31Å; K138-Q140 WeakPolarHBondContact O-CG 3.44Å; K138-Q140 PolarHBondContact O-N 3.32Å; K138-T166 HydrophobicContact CD-CG2 4.35Å
139L98.6Very high98.3Very high1 Ų143.2 Ų43.21%0.00521%0.212CC..  trans-56.9136-177.2-153.376.4000110.7L104 L110 L113 L132 T141 L142 T166L104-L139 HydrophobicContact CD2-CD1 4.04Å; L104-L139 HydrophobicContact CD2-CD2 4.26Å; L110-L139 HydrophobicContact CD2-CD1 4.45Å; L110-L139 HydrophobicContact CG-CD1 4.25Å; L113-L139 HydrophobicContact CB-CD1 3.92Å; L113-L139 HydrophobicContact CB-CD2 4.12Å; L132-L139 HydrophobicContact CD2-CB 4.26Å; L132-L139 HydrophobicContact CD2-CD2 3.52Å; L139-T141 WeakPolarHBondContact CG-O 3.33Å; L139-L142 HydrophobicContact CD2-CB 3.99Å; L139-L142 HydrophobicContact CD2-CD1 4.05Å; L139-L142 HydrophobicContact CD2-CG 4.48Å; L139-T166 CarbonylContact O-C 3.55Å; L139-T166 WeakPolarHBondContact O-CB 3.22Å; L139-T166 PolarHBondContact O-OG1 3.49Å
140Q98.8Very high98.3Very high70 Ų7046.2 Ų46.233%0.32723%0.23SC..  trans-113-39.1-179.8-56.1-17313.100110.5T111 K138 T166 L167 K168 E169T111-Q140 HydrophobicContact CG2-CG 4.22Å; T111-Q140 WeakPolarHBondContact O-CA 3.41Å; T111-Q140 WeakPolarHBondContact O-CB 3.43Å; T111-Q140 PolarHBondContact O-N 2.85Å; K138-Q140 WeakPolarHBondContact O-CG 3.44Å; K138-Q140 PolarHBondContact O-N 3.32Å; Q140-T166 WeakPolarHBondContact CA-O 3.23Å; Q140-T166 WeakPolarHBondContact CG-O 3.37Å; Q140-L167 WeakPolarHBondContact O-CD1 3.46Å; Q140-K168 HydrophobicContact CB-CD 4.28Å; Q140-K168 PolarHBondContact O-N 2.81Å; Q140-E169 PolarHBondContact O-N 2.94Å
141T98.9Very high98.3Very high9 Ų942.8 Ų42.86%0.05522%0.221CC..EExtended strand (participates in β ladder)trans-121.5129.8-179.9-630000110.8T111 E112 L113 L139 Q143 E169T111-T141 PolarHBondContact O-N 3.19Å; E112-T141 HydrophobicContact CG-CG2 3.88Å; L113-T141 PolarHBondContact N-O 3.02Å; L139-T141 WeakPolarHBondContact CG-O 3.33Å; T141-Q143 HydrophobicContact CG2-CG 4.3Å; T141-E169 HydrophobicContact CG2-CB 3.95Å; T141-E169 WeakPolarHBondContact CG2-OE2 3.12Å; T141-E169 VanDerWaalsContact OG1-CD 3.26Å; T141-E169 PolarHBondContact OG1-OE2 3.04Å
142L98.8Very high98.3Very high3 Ų348.1 Ų48.12%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-132.3118.2175.1-179.562.3000110.4L113 L128 L132 L139 L144 L167 E169 L170 S171L113-L142 HydrophobicContact CB-CD1 4.46Å; L113-L142 HydrophobicContact CD2-CD1 4.31Å; L128-L142 HydrophobicContact CD2-CD1 4.48Å; L132-L142 HydrophobicContact CD1-CD2 3.58Å; L139-L142 HydrophobicContact CD2-CB 3.99Å; L139-L142 HydrophobicContact CD2-CD1 4.05Å; L139-L142 HydrophobicContact CD2-CG 4.48Å; L142-L144 HydrophobicContact CD1-CD1 4.28Å; L142-L144 HydrophobicContact CD1-CD2 4.46Å; L142-L144 HydrophobicContact CD1-CG 4.09Å; L142-L144 HydrophobicContact CD2-CD1 3.71Å; L142-L144 HydrophobicContact CD2-CG 4.37Å; L142-L144 HydrophobicContact CG-CD1 3.87Å; L142-L144 HydrophobicContact CG-CG 3.98Å; L142-L167 HydrophobicContact CB-CD1 4.34Å; L142-E169 PolarHBondContact N-O 3Å; L142-L170 HydrophobicContact CB-CD1 4.41Å; L142-L170 HydrophobicContact CD2-CD1 4.26Å; L142-L170 HydrophobicContact CG-CD1 4.47Å; L142-S171 PolarHBondContact O-N 3.05Å
143Q98.8Very high98.3Very high47 Ų4747.7 Ų47.722%0.2225%0.247CC..EExtended strand (participates in β ladder)trans-112.2118.7176.7-67.3-164-1.700110.5L113 H114 V115 T141 E145L113-Q143 PolarHBondContact O-N 3.5Å; L113-Q143 VanDerWaalsContact O-N 3.08Å; H114-Q143 HydrophobicContact CB-CB 4.21Å; H114-Q143 PolarHBondContact CE1-NE2 2.92Å; H114-Q143 PolarHBondContact CE1-OE1 2.87Å; H114-Q143 PolarHBondContact ND1-OE1 2.57Å; V115-Q143 PolarHBondContact N-O 2.98Å; V115-Q143 VanDerWaalsContact N-O 3.14Å; T141-Q143 HydrophobicContact CG2-CG 4.3Å; Q143-E145 WeakPolarHBondContact CB-OE2 3.46Å
144L98.8Very high98.2Very high0 Ų043.8 Ų43.80%023%0.228CC..  trans-131.528.4-174.6-70.4167.7000111.6V115 L120 V125 L128 L142 C147 L149 L157 S171 L172 N175V115-L144 HydrophobicContact CG2-CD2 3.59Å; L120-L144 HydrophobicContact CD1-CD2 4.16Å; V125-L144 HydrophobicContact CG1-CD1 3.84Å; V125-L144 HydrophobicContact CG1-CD2 4.22Å; V125-L144 HydrophobicContact CG2-CD2 4.07Å; L128-L144 HydrophobicContact CD2-CD2 4.23Å; L142-L144 HydrophobicContact CD1-CD1 4.28Å; L142-L144 HydrophobicContact CD1-CD2 4.46Å; L142-L144 HydrophobicContact CD1-CG 4.09Å; L142-L144 HydrophobicContact CD2-CD1 3.71Å; L142-L144 HydrophobicContact CD2-CG 4.37Å; L142-L144 HydrophobicContact CG-CD1 3.87Å; L142-L144 HydrophobicContact CG-CG 3.98Å; L144-C147 VanDerWaalsContact O-CB 3.31Å; L144-C147 WeakPolarHBondContact O-CB 3.37Å; L144-C147 PolarHBondContact O-SG 3Å; L144-C147 VanDerWaalsContact O-SG 3.34Å; L144-L149 HydrophobicContact CB-CD1 4.26Å; L144-L157 HydrophobicContact CD1-CD2 4.4Å; L144-S171 PolarHBondContact N-O 3.09Å; L144-L172 HydrophobicContact CB-CD2 4.01Å; L144-L172 HydrophobicContact CD1-CD2 3.93Å; L144-N175 PolarHBondContact O-ND2 2.99Å
145E98.6Very high98.1Very high17 Ų1749 Ų498%0.07925%0.251CS..THydrogen-bonded Turntrans-61.3147174.559.9-72.1160.400112.3G116 D117 Q143 C147 S171 S173G116-E145 CarbonylContact C-O 3.51Å; G116-E145 WeakPolarHBondContact CA-O 3.49Å; G116-E145 WeakPolarHBondContact CA-OE1 3.36Å; D117-E145 PolarHBondContact N-O 3.34Å; Q143-E145 WeakPolarHBondContact CB-OE2 3.46Å; E145-C147 PolarHBondContact O-N 3.43Å; E145-C147 VanDerWaalsContact O-N 3.1Å; E145-C147 PolarHBondContact O-SG 3.03Å; E145-C147 VanDerWaalsContact O-SG 3.35Å; E145-S171 PolarHBondContact OE2-OG 2.75Å; E145-S171 VanDerWaalsContact OE2-OG 3.12Å; E145-S173 WeakPolarHBondContact CA-O 3.28Å; E145-S173 VanDerWaalsContact CB-O 3.32Å; E145-S173 WeakPolarHBondContact CB-O 3.23Å
146Y98.6Very high98.2Very high119 Ų11945.3 Ų45.347%0.46723%0.228SC..THydrogen-bonded Turntrans48.941.7179.1-72.9-77.1000113.8D117 S173 N174D117-Y146 VanDerWaalsContact OD1-CB 3.25Å; D117-Y146 WeakPolarHBondContact OD1-CB 3.47Å; D117-Y146 VanDerWaalsContact OD1-CD2 3.24Å; D117-Y146 WeakPolarHBondContact OD1-CD2 3.29Å; Y146-S173 PolarHBondContact N-O 2.96Å; Y146-N174 HydrophobicContact CD1-CB 3.6Å; Y146-N174 HydrophobicContact CD2-CB 3.49Å; Y146-N174 VanDerWaalsContact CD2-CB 3.49Å; Y146-N174 HydrophobicContact CE1-CB 3.48Å; Y146-N174 VanDerWaalsContact CE1-CB 3.48Å; Y146-N174 HydrophobicContact CE2-CB 3.36Å; Y146-N174 WeakPolarHBondContact CE2-ND2 3.43Å; Y146-N174 HydrophobicContact CG-CB 3.6Å; Y146-N174 PolarHBondContact OH-OD1 3.27Å; Y146-N174 VanDerWaalsContact OH-OD1 3.12Å
147C98.8Very high98.3Very high0 Ų041.3 Ų41.30%021%0.207CC..SBendtrans-98.610.5-176.7-77.90000114.5V115 N118 G121 L144 E145 L149 N175V115-C147 PolarHBondContact O-SG 3.31Å; N118-C147 VanDerWaalsContact O-CA 3.28Å; N118-C147 WeakPolarHBondContact O-CA 3.33Å; G121-C147 WeakPolarHBondContact CA-O 3.48Å; G121-C147 PolarHBondContact N-O 3.26Å; L144-C147 VanDerWaalsContact O-CB 3.31Å; L144-C147 WeakPolarHBondContact O-CB 3.37Å; L144-C147 PolarHBondContact O-SG 3Å; L144-C147 VanDerWaalsContact O-SG 3.34Å; E145-C147 PolarHBondContact O-N 3.43Å; E145-C147 VanDerWaalsContact O-N 3.1Å; E145-C147 PolarHBondContact O-SG 3.03Å; E145-C147 VanDerWaalsContact O-SG 3.35Å; C147-L149 VanDerWaalsContact C-N 3.27Å; C147-L149 HydrophobicContact CB-CD1 4.22Å; C147-L149 HydrophobicContact CB-CD2 3.97Å; C147-L149 HydrophobicContact CB-CG 3.81Å; C147-L149 PolarHBondContact O-N 2.96Å; C147-N175 PolarHBondContact N-OD1 3.1Å
148E98.5Very high98.3Very high111 Ų11142.4 Ų42.452%0.51921%0.213SC..  trans5639.1-174.1-57.9-178.1175.300112.8R119 N175R119-E148 WeakPolarHBondContact CD-OE1 3.47Å; R119-E148 WeakPolarHBondContact CG-OE1 3.31Å; R119-E148 IonicContact NE-OE1 2.91Å; E148-N175 PolarHBondContact N-OD1 3.21Å
149L98.7Very high98.3Very high2 Ų239.9 Ų39.91%0.0121%0.208CC..  trans-82142.7177.9-47.2-179.4000111.1V125 L144 C147 I153 L172 N175 T176 L177V125-L149 HydrophobicContact CB-CD2 3.8Å; V125-L149 HydrophobicContact CG1-CD2 4.39Å; V125-L149 HydrophobicContact CG2-CD2 3.45Å; V125-L149 VanDerWaalsContact CG2-CD2 3.45Å; L144-L149 HydrophobicContact CB-CD1 4.26Å; C147-L149 VanDerWaalsContact C-N 3.27Å; C147-L149 HydrophobicContact CB-CD1 4.22Å; C147-L149 HydrophobicContact CB-CD2 3.97Å; C147-L149 HydrophobicContact CB-CG 3.81Å; C147-L149 PolarHBondContact O-N 2.96Å; L149-I153 HydrophobicContact CB-CG2 4.25Å; L149-I153 HydrophobicContact CD1-CG1 4.43Å; L149-I153 HydrophobicContact CD2-CG1 4.49Å; L149-L172 HydrophobicContact CD1-CD2 4.25Å; L149-N175 HydrophobicContact CB-CB 3.89Å; L149-N175 WeakPolarHBondContact CB-OD1 3.42Å; L149-N175 HydrophobicContact CG-CB 4.47Å; L149-N175 WeakPolarHBondContact CG-OD1 3.15Å; L149-N175 PolarHBondContact N-OD1 2.95Å; L149-T176 PolarHBondContact O-N 2.74Å; L149-L177 HydrophobicContact CB-CD2 4.24Å
150T98.3Very high98.3Very high64 Ų6440 Ų4039%0.39321%0.21SC..BIsolated β-bridgetrans-117.9173.4174.969.40000109.8T122 D152 I153T122-T150 PolarHBondContact OG1-N 2.74Å; T122-T150 PolarHBondContact OG1-OG1 3.07Å; T150-D152 PolarHBondContact O-N 3.05Å; T150-I153 WeakPolarHBondContact O-CG2 3.45Å; T150-I153 PolarHBondContact O-N 3.37Å; T150-I153 VanDerWaalsContact O-N 3.1Å
151A97.9Very high98.2Very high40 Ų4036.9 Ų36.933%0.33120%0.195SC..G310 helixtrans-47-32.2177.400000114.9I153 V154 L177 A181A151-I153 PolarHBondContact O-N 2.98Å; A151-V154 PolarHBondContact O-N 2.82Å; A151-L177 WeakPolarHBondContact CB-O 3.48Å; A151-A181 HydrophobicContact CB-CB 3.76Å
152D97.9Very high98.1Very high112 Ų11240.3 Ų40.360%0.59921%0.211SC*.G310 helixtrans-65.4-10.3-176.4-72.2-7.3000114T122 K126 T150T122-D152 HydrophobicContact CG2-CB 3.95Å; K126-D152 WeakPolarHBondContact CE-O 3.5Å; K126-D152 PolarHBondContact NZ-O 3.13Å; T150-D152 PolarHBondContact O-N 3.05Å
153I98.3Very high97.9Very high0 Ų042.8 Ų42.80%023%0.226CC..G310 helixtrans-75.8-26.9179.2-165.751.4000113.4T122 V125 K126 L149 T150 A151 E155 A156 L157 L177T122-I153 HydrophobicContact CG2-CB 3.97Å; T122-I153 HydrophobicContact CG2-CD1 4.21Å; V125-I153 HydrophobicContact CB-CD1 3.77Å; V125-I153 HydrophobicContact CB-CG1 4.43Å; V125-I153 HydrophobicContact CG1-CD1 3.78Å; V125-I153 HydrophobicContact CG1-CG1 4.17Å; K126-I153 HydrophobicContact CG-CD1 3.82Å; L149-I153 HydrophobicContact CB-CG2 4.25Å; L149-I153 HydrophobicContact CD1-CG1 4.43Å; L149-I153 HydrophobicContact CD2-CG1 4.49Å; T150-I153 WeakPolarHBondContact O-CG2 3.45Å; T150-I153 PolarHBondContact O-N 3.37Å; T150-I153 VanDerWaalsContact O-N 3.1Å; A151-I153 PolarHBondContact O-N 2.98Å; I153-E155 VanDerWaalsContact C-N 3.33Å; I153-E155 PolarHBondContact O-N 3.21Å; I153-A156 PolarHBondContact O-N 2.89Å; I153-A156 VanDerWaalsContact O-N 3.07Å; I153-L157 HydrophobicContact CG1-CD1 3.83Å; I153-L157 HydrophobicContact CG1-CG 3.97Å; I153-L157 HydrophobicContact CG2-CD1 3.95Å; I153-L157 PolarHBondContact O-N 3.31Å; I153-L157 VanDerWaalsContact O-N 3.1Å; I153-L177 HydrophobicContact CG2-CD2 3.95Å
154V95.8Very high97.8Very high0 Ų041 Ų410%022%0.218CC..Hα-helixtrans-65.8-33.6-162.61730000113.2A151 A156 L157 N158 A181 Q184 L185A151-V154 PolarHBondContact O-N 2.82Å; V154-A156 VanDerWaalsContact C-N 3.32Å; V154-A156 PolarHBondContact O-N 3.31Å; V154-L157 PolarHBondContact O-N 2.97Å; V154-N158 VanDerWaalsContact O-CB 3.29Å; V154-N158 WeakPolarHBondContact O-CB 3.39Å; V154-N158 VanDerWaalsContact O-CG 3.29Å; V154-N158 PolarHBondContact O-N 2.8Å; V154-A181 HydrophobicContact CG2-CB 3.68Å; V154-Q184 HydrophobicContact CG1-CB 3.63Å; V154-L185 HydrophobicContact CG1-CB 3.87Å; V154-L185 HydrophobicContact CG2-CB 4.44Å
155E97.6Very high97.7Very high155 Ų15545 Ų4572%0.72424%0.243SC*.Hα-helixtrans-60-43.7175.6-172.9-179.3-177.600111.7I153 A159I153-E155 VanDerWaalsContact C-N 3.33Å; I153-E155 PolarHBondContact O-N 3.21Å; E155-A159 WeakPolarHBondContact O-CB 3.47Å; E155-A159 PolarHBondContact O-N 3.37Å
156A98.4Very high97.7Very high20 Ų2046.1 Ų46.117%0.16525%0.251CS..Hα-helixtrans-71.4-40.3179.700000112.1K126 C129 I153 V154 A159 A160K126-A156 HydrophobicContact CB-CB 4.46Å; K126-A156 HydrophobicContact CG-CB 3.79Å; C129-A156 HydrophobicContact CB-CB 4.06Å; I153-A156 PolarHBondContact O-N 2.89Å; I153-A156 VanDerWaalsContact O-N 3.07Å; V154-A156 VanDerWaalsContact C-N 3.32Å; V154-A156 PolarHBondContact O-N 3.31Å; A156-A159 PolarHBondContact O-N 3.37Å; A156-A160 PolarHBondContact O-N 2.9Å
157L98.1Very high97.7Very high4 Ų441 Ų412%0.02123%0.232CC..Hα-helixtrans-62.2-44.8174.3-78.3171.5000111.4L144 I153 V154 A159 A160 L161 L172L144-L157 HydrophobicContact CD1-CD2 4.4Å; I153-L157 HydrophobicContact CG1-CD1 3.83Å; I153-L157 HydrophobicContact CG1-CG 3.97Å; I153-L157 HydrophobicContact CG2-CD1 3.95Å; I153-L157 PolarHBondContact O-N 3.31Å; I153-L157 VanDerWaalsContact O-N 3.1Å; V154-L157 PolarHBondContact O-N 2.97Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 3.21Å; L157-A160 WeakPolarHBondContact O-CB 3.24Å; L157-A160 PolarHBondContact O-N 3.33Å; L157-A160 VanDerWaalsContact O-N 3.14Å; L157-L161 WeakPolarHBondContact O-CB 3.44Å; L157-L161 VanDerWaalsContact O-CG 3.25Å; L157-L161 WeakPolarHBondContact O-CG 3.44Å; L157-L161 PolarHBondContact O-N 3.06Å; L157-L172 HydrophobicContact CD1-CD1 3.85Å; L157-L172 HydrophobicContact CD1-CD2 3.92Å
158N98.3Very high97.7Very high27 Ų2744.4 Ų44.414%0.14425%0.247CC..Hα-helixtrans-60.3-44.4176.4-78.6-11.1000111.6V154 A160 L161 Q162 Q184V154-N158 VanDerWaalsContact O-CB 3.29Å; V154-N158 WeakPolarHBondContact O-CB 3.39Å; V154-N158 VanDerWaalsContact O-CG 3.29Å; V154-N158 PolarHBondContact O-N 2.8Å; N158-A160 VanDerWaalsContact C-N 3.3Å; N158-A160 PolarHBondContact O-N 3.06Å; N158-L161 PolarHBondContact O-N 3.32Å; N158-Q162 WeakPolarHBondContact O-CG 3.23Å; N158-Q162 PolarHBondContact O-N 3.23Å; N158-Q184 PolarHBondContact ND2-O 2.97Å
159A98Very high97.7Very high36 Ų3641.9 Ų41.930%0.29824%0.235SC..Hα-helixtrans-59.4-41.1174.900000112M133 E155 A156 L157M133-A159 HydrophobicContact CE-CB 4.03Å; M133-A159 HydrophobicContact SD-CB 3.93Å; E155-A159 WeakPolarHBondContact O-CB 3.47Å; E155-A159 PolarHBondContact O-N 3.37Å; A156-A159 PolarHBondContact O-N 3.37Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 3.21Å
160A97.7Very high97.8Very high4 Ų441.9 Ų41.93%0.03324%0.235CC..Hα-helixtrans-63.2-49.1174.300000111.9C129 L132 M133 A156 L157 N158 Q162 T163 K164C129-A160 HydrophobicContact CB-CB 4.3Å; L132-A160 HydrophobicContact CB-CB 3.91Å; L132-A160 HydrophobicContact CD1-CB 4.31Å; M133-A160 HydrophobicContact CG-CB 4.19Å; A156-A160 PolarHBondContact O-N 2.9Å; L157-A160 WeakPolarHBondContact O-CB 3.24Å; L157-A160 PolarHBondContact O-N 3.33Å; L157-A160 VanDerWaalsContact O-N 3.14Å; N158-A160 VanDerWaalsContact C-N 3.3Å; N158-A160 PolarHBondContact O-N 3.06Å; A160-Q162 VanDerWaalsContact C-N 3.32Å; A160-Q162 PolarHBondContact O-N 2.95Å; A160-T163 CarbonylContact O-C 3.59Å; A160-T163 PolarHBondContact O-N 2.8Å; A160-T163 PolarHBondContact O-OG1 2.97Å; A160-K164 WeakPolarHBondContact O-CG 3.39Å; A160-K164 PolarHBondContact O-N 3.22Å
161L96.6Very high97.8Very high5 Ų539.1 Ų39.13%0.02622%0.218CC..Hα-helixtrans-55.1-42.7179.1-72.9166.3000112.5L157 N158 T163 K164 L167 L185 L189 A192L157-L161 WeakPolarHBondContact O-CB 3.44Å; L157-L161 VanDerWaalsContact O-CG 3.25Å; L157-L161 WeakPolarHBondContact O-CG 3.44Å; L157-L161 PolarHBondContact O-N 3.06Å; N158-L161 PolarHBondContact O-N 3.32Å; L161-T163 PolarHBondContact O-N 3.23Å; L161-K164 PolarHBondContact O-N 3.23Å; L161-K164 VanDerWaalsContact O-N 3.12Å; L161-L167 HydrophobicContact CD2-CD2 3.37Å; L161-L185 HydrophobicContact CD1-CD1 3.87Å; L161-L189 HydrophobicContact CD1-CD2 3.66Å; L161-L189 HydrophobicContact CD1-CG 4.13Å; L161-L189 HydrophobicContact CD2-CD2 3.88Å; L161-L189 HydrophobicContact CG-CD2 4.39Å; L161-A192 HydrophobicContact CB-CB 4.14Å
162Q96.9Very high97.8Very high81 Ų8137.2 Ų37.238%0.37920%0.203SC..Hα-helixtrans-60.5-27.9177.4-67.5-47.2-4800113.3N158 A160 G188 E191N158-Q162 WeakPolarHBondContact O-CG 3.23Å; N158-Q162 PolarHBondContact O-N 3.23Å; A160-Q162 VanDerWaalsContact C-N 3.32Å; A160-Q162 PolarHBondContact O-N 2.95Å; Q162-G188 PolarHBondContact NE2-O 2.96Å; Q162-E191 PolarHBondContact OE1-O 2.75Å
163T96Very high97.9Very high55 Ų5532.1 Ų32.134%0.33718%0.175SC..THydrogen-bonded Turntrans-97.7-0.8-17970.80000113.4M133 A160 L161 P165M133-T163 WeakPolarHBondContact CA-OG1 3.37Å; M133-T163 HydrophobicContact CG-CG2 4.49Å; A160-T163 CarbonylContact O-C 3.59Å; A160-T163 PolarHBondContact O-N 2.8Å; A160-T163 PolarHBondContact O-OG1 2.97Å; L161-T163 PolarHBondContact O-N 3.23Å; T163-P165 WeakPolarHBondContact O-CD 3.3Å
164K96.6Very high97.9Very high10 Ų1033.5 Ų33.54%0.04318%0.183CC..  trans-123.674.9-171.7-69.9-67.3145.1-35.90112.1L132 N134 C137 A160 L161 T166 L167L132-K164 VanDerWaalsContact O-CD 3.25Å; L132-K164 WeakPolarHBondContact O-CD 3.42Å; L132-K164 WeakPolarHBondContact O-CE 3.3Å; L132-K164 WeakPolarHBondContact O-CG 3.32Å; L132-K164 PolarHBondContact O-NZ 2.94Å; N134-K164 WeakPolarHBondContact O-CE 3.43Å; N134-K164 PolarHBondContact O-NZ 2.85Å; C137-K164 WeakPolarHBondContact O-CE 3.31Å; A160-K164 WeakPolarHBondContact O-CG 3.39Å; A160-K164 PolarHBondContact O-N 3.22Å; L161-K164 PolarHBondContact O-N 3.23Å; L161-K164 VanDerWaalsContact O-N 3.12Å; K164-T166 PolarHBondContact O-N 2.8Å; K164-L167 HydrophobicContact CB-CB 4.44Å; K164-L167 PolarHBondContact O-N 3.01Å
165P97Very high98Very high82 Ų8233.6 Ų33.653%0.53218%0.183SC..THydrogen-bonded Turntrans-66.6-14.2174.130.8-36.5000112.9T163 L167T163-P165 WeakPolarHBondContact O-CD 3.3Å; P165-L167 VanDerWaalsContact C-N 3.33Å
166T98.3Very high98Very high42 Ų4231.7 Ų31.726%0.25818%0.183SC..THydrogen-bonded Turntrans-77-17.5177.551.50000113.5K138 L139 Q140 K164 K168K138-T166 HydrophobicContact CD-CG2 4.35Å; L139-T166 CarbonylContact O-C 3.55Å; L139-T166 WeakPolarHBondContact O-CB 3.22Å; L139-T166 PolarHBondContact O-OG1 3.49Å; Q140-T166 WeakPolarHBondContact CA-O 3.23Å; Q140-T166 WeakPolarHBondContact CG-O 3.37Å; K164-T166 PolarHBondContact O-N 2.8Å; T166-K168 PolarHBondContact O-N 3.48Å
167L98.6Very high98Very high10 Ų1031.1 Ų31.15%0.05218%0.177CC..  trans-67.3130.1-174.2-160.776.8000110.7Q140 L142 L161 K164 P165 L170 C194 L196Q140-L167 WeakPolarHBondContact O-CD1 3.46Å; L142-L167 HydrophobicContact CB-CD1 4.34Å; L161-L167 HydrophobicContact CD2-CD2 3.37Å; K164-L167 HydrophobicContact CB-CB 4.44Å; K164-L167 PolarHBondContact O-N 3.01Å; P165-L167 VanDerWaalsContact C-N 3.33Å; L167-L170 HydrophobicContact CD2-CB 4.4Å; L167-C194 HydrophobicContact CB-CB 4.34Å; L167-C194 VanDerWaalsContact O-CB 3.28Å; L167-C194 WeakPolarHBondContact O-CB 3.39Å; L167-L196 HydrophobicContact CD2-CD1 4.39Å
168K98.8Very high98.1Very high72 Ų7232 Ų3231%0.31319%0.186SC..  trans-117.6-35.2179.2-70.1172.8168.6-114.50111.4Q140 T166 L196 E197 L198Q140-K168 HydrophobicContact CB-CD 4.28Å; Q140-K168 PolarHBondContact O-N 2.81Å; T166-K168 PolarHBondContact O-N 3.48Å; K168-L196 CarbonylContact O-C 3.54Å; K168-L196 VanDerWaalsContact O-CD1 3.3Å; K168-L196 WeakPolarHBondContact O-CD1 3.19Å; K168-E197 HydrophobicContact CB-CB 4.41Å; K168-E197 HydrophobicContact CB-CG 4.4Å; K168-E197 IonicContact NZ-OE1 3.62Å; K168-E197 PolarHBondContact NZ-OE1 3.48Å; K168-E197 IonicContact NZ-OE2 3.68Å; K168-E197 WeakPolarHBondContact O-CA 3.42Å; K168-E197 PolarHBondContact O-N 3.05Å; K168-L198 PolarHBondContact O-N 3.44Å
169E98.9Very high98.1Very high58 Ų5831.9 Ų31.927%0.27119%0.186SC..EExtended strand (participates in β ladder)trans-131.5130.8-172.4-52.2-179.3170.900110.6Q140 T141 L142 L198Q140-E169 PolarHBondContact O-N 2.94Å; T141-E169 HydrophobicContact CG2-CB 3.95Å; T141-E169 WeakPolarHBondContact CG2-OE2 3.12Å; T141-E169 VanDerWaalsContact OG1-CD 3.26Å; T141-E169 PolarHBondContact OG1-OE2 3.04Å; L142-E169 PolarHBondContact N-O 3Å; E169-L198 HydrophobicContact CB-CB 4.03Å; E169-L198 HydrophobicContact CB-CD2 4.29Å; E169-L198 HydrophobicContact CG-CB 3.88Å
170L98.9Very high98.1Very high2 Ų234.9 Ų34.91%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-135.8117.7176.2179.563.2000109.8L142 L167 L172 L196 L198 L199 H200L142-L170 HydrophobicContact CB-CD1 4.41Å; L142-L170 HydrophobicContact CD2-CD1 4.26Å; L142-L170 HydrophobicContact CG-CD1 4.47Å; L167-L170 HydrophobicContact CD2-CB 4.4Å; L170-L172 HydrophobicContact CD1-CD2 4Å; L170-L172 HydrophobicContact CD1-CG 4.17Å; L170-L172 HydrophobicContact CD2-CD1 4.31Å; L170-L172 HydrophobicContact CD2-CG 4.43Å; L170-L172 HydrophobicContact CG-CG 4.14Å; L170-L196 HydrophobicContact CB-CD1 4.34Å; L170-L198 PolarHBondContact N-O 3.28Å; L170-L198 VanDerWaalsContact N-O 3.08Å; L170-L199 HydrophobicContact CD2-CD1 4.41Å; L170-L199 WeakPolarHBondContact O-CA 3.38Å; L170-H200 PolarHBondContact O-N 3.41Å
171S98.9Very high98.1Very high7 Ų734.8 Ų34.85%0.04920%0.2CC..EExtended strand (participates in β ladder)trans-110.3123.9168.2171.70000109.8L142 L144 E145L142-S171 PolarHBondContact O-N 3.05Å; L144-S171 PolarHBondContact N-O 3.09Å; E145-S171 PolarHBondContact OE2-OG 2.75Å; E145-S171 VanDerWaalsContact OE2-OG 3.12Å
172L98.8Very high98.3Very high0 Ų034.5 Ų34.50%020%0.199CC..  trans-121.613.8169.9-56.8174.8000111.5L144 L149 L157 L170 N175 L177 L185 H200 L201 C204L144-L172 HydrophobicContact CB-CD2 4.01Å; L144-L172 HydrophobicContact CD1-CD2 3.93Å; L149-L172 HydrophobicContact CD1-CD2 4.25Å; L157-L172 HydrophobicContact CD1-CD1 3.85Å; L157-L172 HydrophobicContact CD1-CD2 3.92Å; L170-L172 HydrophobicContact CD1-CD2 4Å; L170-L172 HydrophobicContact CD1-CG 4.17Å; L170-L172 HydrophobicContact CD2-CD1 4.31Å; L170-L172 HydrophobicContact CD2-CG 4.43Å; L170-L172 HydrophobicContact CG-CG 4.14Å; L172-N175 WeakPolarHBondContact O-CB 3.48Å; L172-N175 PolarHBondContact O-ND2 3.29Å; L172-L177 HydrophobicContact CB-CD1 4.25Å; L172-L177 HydrophobicContact CD1-CD1 4.1Å; L172-L185 HydrophobicContact CD1-CD2 3.53Å; L172-H200 PolarHBondContact N-O 3.07Å; L172-L201 HydrophobicContact CB-CD2 3.99Å; L172-L201 HydrophobicContact CD1-CD2 4.14Å; L172-L201 HydrophobicContact CG-CD2 4.42Å; L172-C204 PolarHBondContact O-SG 3.18Å; L172-C204 VanDerWaalsContact O-SG 3.32Å
173S98.9Very high98.3Very high4 Ų433.8 Ų33.83%0.02819%0.194CC..  trans-52.2151.7-174.7-64.30000112.6E145 Y146 N175 E202E145-S173 WeakPolarHBondContact CA-O 3.28Å; E145-S173 VanDerWaalsContact CB-O 3.32Å; E145-S173 WeakPolarHBondContact CB-O 3.23Å; Y146-S173 PolarHBondContact N-O 2.96Å; S173-N175 VanDerWaalsContact C-N 3.32Å; S173-N175 PolarHBondContact O-N 3.43Å; S173-N175 PolarHBondContact O-ND2 2.9Å; S173-E202 CarbonylContact C-O 3.43Å; S173-E202 WeakPolarHBondContact CA-O 3.3Å; S173-E202 PolarHBondContact OG-N 2.97Å
174N98.8Very high98.5Very high29 Ų2935.8 Ų35.816%0.15520%0.2CC..SBendtrans59.141.2177.7-49.9-74.1000113.5Y146 E202 N203Y146-N174 HydrophobicContact CD1-CB 3.6Å; Y146-N174 HydrophobicContact CD2-CB 3.49Å; Y146-N174 VanDerWaalsContact CD2-CB 3.49Å; Y146-N174 HydrophobicContact CE1-CB 3.48Å; Y146-N174 VanDerWaalsContact CE1-CB 3.48Å; Y146-N174 HydrophobicContact CE2-CB 3.36Å; Y146-N174 WeakPolarHBondContact CE2-ND2 3.43Å; Y146-N174 HydrophobicContact CG-CB 3.6Å; Y146-N174 PolarHBondContact OH-OD1 3.27Å; Y146-N174 VanDerWaalsContact OH-OD1 3.12Å; N174-E202 PolarHBondContact N-O 2.68Å; N174-N203 WeakPolarHBondContact CA-O 3.37Å; N174-N203 WeakPolarHBondContact OD1-CB 3.37Å; N174-N203 PolarHBondContact OD1-ND2 3.02Å
175N98.7Very high98.6Very high2 Ų235.3 Ų35.31%0.01120%0.198CC..SBendtrans-129137.2169.9-71.4-74.5000109.9L144 C147 E148 L149 L172 S173 L177 N203 C204L144-N175 PolarHBondContact O-ND2 2.99Å; C147-N175 PolarHBondContact N-OD1 3.1Å; E148-N175 PolarHBondContact N-OD1 3.21Å; L149-N175 HydrophobicContact CB-CB 3.89Å; L149-N175 WeakPolarHBondContact CB-OD1 3.42Å; L149-N175 HydrophobicContact CG-CB 4.47Å; L149-N175 WeakPolarHBondContact CG-OD1 3.15Å; L149-N175 PolarHBondContact N-OD1 2.95Å; L172-N175 WeakPolarHBondContact O-CB 3.48Å; L172-N175 PolarHBondContact O-ND2 3.29Å; S173-N175 VanDerWaalsContact C-N 3.32Å; S173-N175 PolarHBondContact O-N 3.43Å; S173-N175 PolarHBondContact O-ND2 2.9Å; N175-L177 VanDerWaalsContact C-N 3.3Å; N175-L177 HydrophobicContact CB-CD2 4.15Å; N175-L177 HydrophobicContact CB-CG 4.26Å; N175-L177 PolarHBondContact O-N 3.43Å; N175-N203 PolarHBondContact N-O 2.91Å; N175-C204 VanDerWaalsContact O-CA 3.28Å; N175-C204 WeakPolarHBondContact O-CA 3.27Å
176T97.5Very high98.7Very high116 Ų11631.5 Ų31.571%0.71217%0.173SC*.BIsolated β-bridgetrans-79.477.3-176.4-44.50000111.6L149L149-T176 PolarHBondContact O-N 2.74Å
177L98.5Very high98.7Very high7 Ų737.5 Ų37.54%0.03719%0.191CC..  trans-83.6-50.3-178.6-56.8-175.7000112L149 A151 I153 L172 N175 A181 V182 C204L149-L177 HydrophobicContact CB-CD2 4.24Å; A151-L177 WeakPolarHBondContact CB-O 3.48Å; I153-L177 HydrophobicContact CG2-CD2 3.95Å; L172-L177 HydrophobicContact CB-CD1 4.25Å; L172-L177 HydrophobicContact CD1-CD1 4.1Å; N175-L177 VanDerWaalsContact C-N 3.3Å; N175-L177 HydrophobicContact CB-CD2 4.15Å; N175-L177 HydrophobicContact CB-CG 4.26Å; N175-L177 PolarHBondContact O-N 3.43Å; L177-A181 HydrophobicContact CB-CB 4.03Å; L177-A181 WeakPolarHBondContact O-CB 3.15Å; L177-V182 HydrophobicContact CB-CG2 4.17Å; L177-V182 HydrophobicContact CD1-CG2 4.4Å; L177-C204 HydrophobicContact CD1-CB 4.47Å; L177-C204 PolarHBondContact N-O 3.12Å
178G98.5Very high98.7Very high22 Ų2237.1 Ų37.123%0.22719%0.189CC..Hα-helixtrans76.8163.6-174.900000114.3T180 A181 V182 C204 G205G178-T180 VanDerWaalsContact C-N 3.34Å; G178-T180 PolarHBondContact O-N 3.5Å; G178-A181 PolarHBondContact O-N 3.34Å; G178-A181 VanDerWaalsContact O-N 3.16Å; G178-V182 PolarHBondContact O-N 3.11Å; G178-C204 PolarHBondContact N-O 3.01Å; G178-G205 WeakPolarHBondContact CA-O 3.47Å
179D98.8Very high98.6Very high25 Ų2533.7 Ų33.713%0.13417%0.174CC..Hα-helixtrans-55.2-41.5-173.9-72.8-63.7000114.4A181 V182 K183 T207 D209 S210D179-A181 VanDerWaalsContact C-N 3.3Å; D179-A181 PolarHBondContact O-N 2.95Å; D179-V182 PolarHBondContact O-N 3.36Å; D179-K183 WeakPolarHBondContact O-CB 3.04Å; D179-K183 WeakPolarHBondContact O-CD 3.49Å; D179-K183 WeakPolarHBondContact O-CG 3.41Å; D179-K183 PolarHBondContact O-N 2.96Å; D179-T207 VanDerWaalsContact CG-OG1 3.32Å; D179-T207 PolarHBondContact OD1-N 3.41Å; D179-T207 PolarHBondContact OD1-OG1 3.32Å; D179-T207 WeakPolarHBondContact OD2-CB 3.21Å; D179-T207 WeakPolarHBondContact OD2-CG2 3.3Å; D179-T207 PolarHBondContact OD2-N 2.84Å; D179-T207 PolarHBondContact OD2-OG1 2.97Å; D179-D209 HydrophobicContact CB-CB 4.17Å; D179-S210 WeakPolarHBondContact OD1-CB 3.45Å; D179-S210 PolarHBondContact OD1-N 2.91Å; D179-S210 PolarHBondContact OD1-OG 3.37Å
180T98.5Very high98.6Very high100 Ų10033.3 Ų33.361%0.61318%0.176SC*.Hα-helixtrans-60.4-42.8-178.7-610000111.7G178 Q184G178-T180 VanDerWaalsContact C-N 3.34Å; G178-T180 PolarHBondContact O-N 3.5Å; T180-Q184 WeakPolarHBondContact O-CG 3.38Å; T180-Q184 PolarHBondContact O-N 3.28Å
181A98.6Very high98.6Very high1 Ų138.1 Ų38.11%0.00820%0.198CC..Hα-helixtrans-69.7-46.1179.200000110.4A151 V154 L177 G178 D179 K183 Q184 L185A151-A181 HydrophobicContact CB-CB 3.76Å; V154-A181 HydrophobicContact CG2-CB 3.68Å; L177-A181 HydrophobicContact CB-CB 4.03Å; L177-A181 WeakPolarHBondContact O-CB 3.15Å; G178-A181 PolarHBondContact O-N 3.34Å; G178-A181 VanDerWaalsContact O-N 3.16Å; D179-A181 VanDerWaalsContact C-N 3.3Å; D179-A181 PolarHBondContact O-N 2.95Å; A181-K183 VanDerWaalsContact C-N 3.34Å; A181-K183 PolarHBondContact O-N 2.84Å; A181-Q184 WeakPolarHBondContact O-CB 3.36Å; A181-Q184 PolarHBondContact O-N 3.37Å; A181-Q184 VanDerWaalsContact O-N 3.11Å; A181-L185 PolarHBondContact O-N 3.07Å
182V98.8Very high98.5Very high0 Ų038 Ų380%020%0.198CC..Hα-helixtrans-62.3-40.2179.4173.10000111.6L177 G178 D179 Q184 L185 C186 L201 I206 I214L177-V182 HydrophobicContact CB-CG2 4.17Å; L177-V182 HydrophobicContact CD1-CG2 4.4Å; G178-V182 PolarHBondContact O-N 3.11Å; D179-V182 PolarHBondContact O-N 3.36Å; V182-Q184 VanDerWaalsContact C-N 3.33Å; V182-Q184 PolarHBondContact O-N 2.79Å; V182-L185 PolarHBondContact O-N 3.13Å; V182-C186 WeakPolarHBondContact O-CB 3.36Å; V182-C186 PolarHBondContact O-N 3.22Å; V182-C186 PolarHBondContact O-SG 3.06Å; V182-L201 HydrophobicContact CG1-CD1 4.32Å; V182-I206 HydrophobicContact CB-CG1 4.42Å; V182-I206 HydrophobicContact CG1-CD1 4.21Å; V182-I206 HydrophobicContact CG1-CG1 4.2Å; V182-I206 HydrophobicContact CG2-CD1 4.26Å; V182-I206 HydrophobicContact CG2-CG1 3.85Å; V182-I214 HydrophobicContact CG1-CD1 4.25Å; V182-I214 HydrophobicContact CG1-CG1 4.23Å
183K98.8Very high98.4Very high65 Ų6548.3 Ų48.328%0.28324%0.237SC..Hα-helixtrans-55-47.8171.9-73.4168.3-179.1175.90112.1D179 A181 R187 D209 D213D179-K183 WeakPolarHBondContact O-CB 3.04Å; D179-K183 WeakPolarHBondContact O-CD 3.49Å; D179-K183 WeakPolarHBondContact O-CG 3.41Å; D179-K183 PolarHBondContact O-N 2.96Å; A181-K183 VanDerWaalsContact C-N 3.34Å; A181-K183 PolarHBondContact O-N 2.84Å; K183-R187 PolarHBondContact O-N 2.8Å; K183-R187 VanDerWaalsContact O-N 3.08Å; K183-D209 VanDerWaalsContact CE-C 3.44Å; K183-D209 WeakPolarHBondContact CE-O 3.46Å; K183-D209 PolarHBondContact NZ-O 3.48Å; K183-D209 IonicContact NZ-OD2 3.96Å; K183-D213 HydrophobicContact CG-CB 4.38Å; K183-D213 WeakPolarHBondContact CG-OD2 3.39Å
184Q98.7Very high98.3Very high98 Ų9848.1 Ų48.146%0.45824%0.235SC..Hα-helixtrans-66.3-40.2178.5-70.2177.67.400111.7V154 N158 T180 A181 V182 R187 G188V154-Q184 HydrophobicContact CG1-CB 3.63Å; N158-Q184 PolarHBondContact ND2-O 2.97Å; T180-Q184 WeakPolarHBondContact O-CG 3.38Å; T180-Q184 PolarHBondContact O-N 3.28Å; A181-Q184 WeakPolarHBondContact O-CB 3.36Å; A181-Q184 PolarHBondContact O-N 3.37Å; A181-Q184 VanDerWaalsContact O-N 3.11Å; V182-Q184 VanDerWaalsContact C-N 3.33Å; V182-Q184 PolarHBondContact O-N 2.79Å; Q184-R187 PolarHBondContact O-N 2.59Å; Q184-G188 PolarHBondContact O-N 2.93Å
185L98.8Very high98.3Very high0 Ų052.1 Ų52.10%026%0.256CS..Hα-helixtrans-62.4-49.2176.8177.565.5000110.7V154 L161 L172 A181 V182 R187 G188 L189 L201V154-L185 HydrophobicContact CG1-CB 3.87Å; V154-L185 HydrophobicContact CG2-CB 4.44Å; L161-L185 HydrophobicContact CD1-CD1 3.87Å; L172-L185 HydrophobicContact CD1-CD2 3.53Å; A181-L185 PolarHBondContact O-N 3.07Å; V182-L185 PolarHBondContact O-N 3.13Å; L185-R187 VanDerWaalsContact C-N 3.29Å; L185-R187 PolarHBondContact O-N 2.86Å; L185-G188 CarbonylContact O-C 3.59Å; L185-G188 WeakPolarHBondContact O-CA 3.29Å; L185-G188 PolarHBondContact O-N 3.31Å; L185-L189 HydrophobicContact CD1-CG 4.41Å; L185-L189 HydrophobicContact CG-CD1 4.12Å; L185-L189 HydrophobicContact CG-CG 4.44Å; L185-L189 WeakPolarHBondContact O-CG 3.38Å; L185-L189 PolarHBondContact O-N 3.05Å; L185-L201 HydrophobicContact CD2-CD2 3.98Å
186C98.8Very high98.3Very high2 Ų252 Ų521%0.01426%0.256CS..Hα-helixtrans-56.9-42.6177.2-71.90000111.8V182 L189 V190 D213 V217V182-C186 WeakPolarHBondContact O-CB 3.36Å; V182-C186 PolarHBondContact O-N 3.22Å; V182-C186 PolarHBondContact O-SG 3.06Å; C186-L189 PolarHBondContact O-N 2.62Å; C186-V190 WeakPolarHBondContact O-CG2 3.41Å; C186-V190 PolarHBondContact O-N 2.96Å; C186-D213 HydrophobicContact CB-CB 3.7Å; C186-V217 HydrophobicContact CB-CG2 3.72Å
187R98.4Very high98.3Very high168 Ų16849 Ų4963%0.63423%0.234SC*.Hα-helixtrans-60-47.5173.7-179.3178174.3178.6-0.7111.7K183 Q184 L185 L189 V190 E191K183-R187 PolarHBondContact O-N 2.8Å; K183-R187 VanDerWaalsContact O-N 3.08Å; Q184-R187 PolarHBondContact O-N 2.59Å; L185-R187 VanDerWaalsContact C-N 3.29Å; L185-R187 PolarHBondContact O-N 2.86Å; R187-L189 VanDerWaalsContact C-N 3.32Å; R187-L189 PolarHBondContact O-N 3.46Å; R187-V190 PolarHBondContact O-N 2.9Å; R187-E191 WeakPolarHBondContact CG-OE1 3.36Å; R187-E191 IonicContact CZ-OE1 2.7Å; R187-E191 IonicContact NE-OE1 3.71Å; R187-E191 PolarHBondContact NE-OE1 3.2Å; R187-E191 IonicContact NH2-OE1 2.69Å; R187-E191 PolarHBondContact NH2-OE1 2.91Å; R187-E191 WeakPolarHBondContact O-CG 3.49Å; R187-E191 PolarHBondContact O-N 2.83Å
188G98.4Very high98.3Very high2 Ų249.9 Ų49.92%0.02124%0.239CC..Hα-helixtrans-60.8-40.217700000112.7Q162 Q184 L185 E191 A192Q162-G188 PolarHBondContact NE2-O 2.96Å; Q184-G188 PolarHBondContact O-N 2.93Å; L185-G188 CarbonylContact O-C 3.59Å; L185-G188 WeakPolarHBondContact O-CA 3.29Å; L185-G188 PolarHBondContact O-N 3.31Å; G188-E191 PolarHBondContact O-N 3.46Å; G188-A192 VanDerWaalsContact O-CB 3.29Å; G188-A192 WeakPolarHBondContact O-CB 3.44Å; G188-A192 PolarHBondContact O-N 3.16Å
189L98.5Very high98.4Very high0 Ų048.9 Ų48.90%023%0.228CC..Hα-helixtrans-62.4-46.5175.2-73.4173000111.9L161 L185 C186 R187 E191 A192 L196 L199 V217 K221L161-L189 HydrophobicContact CD1-CD2 3.66Å; L161-L189 HydrophobicContact CD1-CG 4.13Å; L161-L189 HydrophobicContact CD2-CD2 3.88Å; L161-L189 HydrophobicContact CG-CD2 4.39Å; L185-L189 HydrophobicContact CD1-CG 4.41Å; L185-L189 HydrophobicContact CG-CD1 4.12Å; L185-L189 HydrophobicContact CG-CG 4.44Å; L185-L189 WeakPolarHBondContact O-CG 3.38Å; L185-L189 PolarHBondContact O-N 3.05Å; C186-L189 PolarHBondContact O-N 2.62Å; R187-L189 VanDerWaalsContact C-N 3.32Å; R187-L189 PolarHBondContact O-N 3.46Å; L189-E191 VanDerWaalsContact C-N 3.31Å; L189-E191 PolarHBondContact O-N 2.73Å; L189-A192 PolarHBondContact O-N 3.3Å; L189-L196 HydrophobicContact CD2-CD2 4.03Å; L189-L199 HydrophobicContact CD1-CD1 3.99Å; L189-L199 HydrophobicContact CD1-CD2 3.82Å; L189-V217 HydrophobicContact CB-CG2 4.27Å; L189-V217 HydrophobicContact CD1-CG2 4.46Å; L189-K221 WeakPolarHBondContact O-CE 3.46Å; L189-K221 PolarHBondContact O-NZ 3.39Å
190V98.3Very high98.4Very high50 Ų5049.6 Ų49.630%0.30323%0.23SC..Hα-helixtrans-60.2-41176.5171.20000111.5C186 R187 A216 V217 N220C186-V190 WeakPolarHBondContact O-CG2 3.41Å; C186-V190 PolarHBondContact O-N 2.96Å; R187-V190 PolarHBondContact O-N 2.9Å; V190-A216 HydrophobicContact CG2-CB 4.41Å; V190-V217 HydrophobicContact CG2-CG2 4.11Å; V190-N220 HydrophobicContact CG1-CB 4.16Å; V190-N220 HydrophobicContact CG2-CB 4.34Å
191E97.6Very high98.4Very high103 Ų10344.8 Ų44.848%0.48120%0.201SC..Hα-helixtrans-73.1-30.2179.1-70.1173.1-176.800112.7Q162 R187 G188 L189Q162-E191 PolarHBondContact OE1-O 2.75Å; R187-E191 WeakPolarHBondContact CG-OE1 3.36Å; R187-E191 IonicContact CZ-OE1 2.7Å; R187-E191 IonicContact NE-OE1 3.71Å; R187-E191 PolarHBondContact NE-OE1 3.2Å; R187-E191 IonicContact NH2-OE1 2.69Å; R187-E191 PolarHBondContact NH2-OE1 2.91Å; R187-E191 WeakPolarHBondContact O-CG 3.49Å; R187-E191 PolarHBondContact O-N 2.83Å; G188-E191 PolarHBondContact O-N 3.46Å; L189-E191 VanDerWaalsContact C-N 3.31Å; L189-E191 PolarHBondContact O-N 2.73Å
192A97.5Very high98.4Very high4 Ų446.5 Ų46.53%0.03321%0.209CC..SBendtrans-67147.2-178.300000111.7L161 G188 L189 C194 K221L161-A192 HydrophobicContact CB-CB 4.14Å; G188-A192 VanDerWaalsContact O-CB 3.29Å; G188-A192 WeakPolarHBondContact O-CB 3.44Å; G188-A192 PolarHBondContact O-N 3.16Å; L189-A192 PolarHBondContact O-N 3.3Å; A192-C194 VanDerWaalsContact C-N 3.28Å; A192-C194 PolarHBondContact O-N 3.09Å; A192-K221 PolarHBondContact O-NZ 3.27Å
193R96.8Very high98.4Very high217 Ų21749.4 Ų49.482%0.81922%0.224SC*.  trans-87.15.9179.4-62.6-176.8-177.6176.20.9114.2
194C96.8Very high98.4Very high0 Ų046.3 Ų46.30%021%0.211CC..  trans-67.6137.9176.854.90000111L167 A192 L196 K221L167-C194 HydrophobicContact CB-CB 4.34Å; L167-C194 VanDerWaalsContact O-CB 3.28Å; L167-C194 WeakPolarHBondContact O-CB 3.39Å; A192-C194 VanDerWaalsContact C-N 3.28Å; A192-C194 PolarHBondContact O-N 3.09Å; C194-L196 PolarHBondContact O-N 3.41Å; C194-L196 VanDerWaalsContact O-N 3.12Å; C194-K221 PolarHBondContact O-NZ 3.21Å
195D98.1Very high98.4Very high112 Ų11243.5 Ų43.560%0.59921%0.208SC*.  trans-84.468.8167.4-67.7-39.7000108E197 S223D195-E197 PolarHBondContact O-N 3.29Å; D195-S223 WeakPolarHBondContact CA-OG 3.45Å
196L98.6Very high98.4Very high0 Ų043.5 Ų43.50%021%0.208CC..  trans-62.4126-178.2-163.980.4000110.1L167 K168 L170 L189 C194 L199 S223 L224L167-L196 HydrophobicContact CD2-CD1 4.39Å; K168-L196 CarbonylContact O-C 3.54Å; K168-L196 VanDerWaalsContact O-CD1 3.3Å; K168-L196 WeakPolarHBondContact O-CD1 3.19Å; L170-L196 HydrophobicContact CB-CD1 4.34Å; L189-L196 HydrophobicContact CD2-CD2 4.03Å; C194-L196 PolarHBondContact O-N 3.41Å; C194-L196 VanDerWaalsContact O-N 3.12Å; L196-L199 HydrophobicContact CD2-CB 3.94Å; L196-L199 HydrophobicContact CD2-CD1 4.4Å; L196-S223 PolarHBondContact N-OG 2.84Å; L196-S223 CarbonylContact O-C 3.57Å; L196-S223 WeakPolarHBondContact O-CB 3.43Å; L196-S223 PolarHBondContact O-OG 3.3Å; L196-L224 HydrophobicContact CD2-CD1 4.3Å; L196-L224 VanDerWaalsContact O-CA 3.23Å; L196-L224 WeakPolarHBondContact O-CA 3.48Å; L196-L224 PolarHBondContact O-N 3.3Å; L196-L224 VanDerWaalsContact O-N 3.07Å
197E98.9Very high98.4Very high54 Ų5445.7 Ų45.725%0.25222%0.222SC..  trans-100.4-33.9-178.7-68.7171.6-161.700111.7K168 D195 S223 I225 D226K168-E197 HydrophobicContact CB-CB 4.41Å; K168-E197 HydrophobicContact CB-CG 4.4Å; K168-E197 IonicContact NZ-OE1 3.62Å; K168-E197 PolarHBondContact NZ-OE1 3.48Å; K168-E197 IonicContact NZ-OE2 3.68Å; K168-E197 WeakPolarHBondContact O-CA 3.42Å; K168-E197 PolarHBondContact O-N 3.05Å; D195-E197 PolarHBondContact O-N 3.29Å; E197-S223 WeakPolarHBondContact CA-O 3.43Å; E197-I225 HydrophobicContact CB-CD1 4.48Å; E197-I225 HydrophobicContact CB-CG1 4.17Å; E197-I225 WeakPolarHBondContact O-CG1 3.32Å; E197-I225 PolarHBondContact O-N 2.89Å; E197-D226 PolarHBondContact O-N 3.01Å
198L98.9Very high98.4Very high25 Ų2539.3 Ų39.313%0.13120%0.202CC..EExtended strand (participates in β ladder)trans-133.6132.8-178.1-178.5156.2000112K168 E169 L170 H200 D226K168-L198 PolarHBondContact O-N 3.44Å; E169-L198 HydrophobicContact CB-CB 4.03Å; E169-L198 HydrophobicContact CB-CD2 4.29Å; E169-L198 HydrophobicContact CG-CB 3.88Å; L170-L198 PolarHBondContact N-O 3.28Å; L170-L198 VanDerWaalsContact N-O 3.08Å; L198-H200 HydrophobicContact CD2-CB 4.25Å; L198-D226 WeakPolarHBondContact CA-O 3.36Å; L198-D226 HydrophobicContact CB-CB 4.17Å; L198-D226 HydrophobicContact CD1-CB 4.21Å; L198-D226 HydrophobicContact CG-CB 4.02Å
199L98.9Very high98.4Very high1 Ų144 Ų441%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-133.3112171.2-179.861.8000110.5L170 L189 L196 L201 V217 L224 D226 L227 S228L170-L199 HydrophobicContact CD2-CD1 4.41Å; L170-L199 WeakPolarHBondContact O-CA 3.38Å; L189-L199 HydrophobicContact CD1-CD1 3.99Å; L189-L199 HydrophobicContact CD1-CD2 3.82Å; L196-L199 HydrophobicContact CD2-CB 3.94Å; L196-L199 HydrophobicContact CD2-CD1 4.4Å; L199-L201 HydrophobicContact CD1-CD1 4.24Å; L199-L201 HydrophobicContact CD1-CD2 4.21Å; L199-L201 HydrophobicContact CD1-CG 4.04Å; L199-L201 HydrophobicContact CD2-CD1 4.06Å; L199-L201 HydrophobicContact CG-CD1 4.11Å; L199-L201 HydrophobicContact CG-CG 4.08Å; L199-V217 HydrophobicContact CD2-CG1 4.41Å; L199-L224 HydrophobicContact CB-CD1 4Å; L199-D226 PolarHBondContact N-O 3.44Å; L199-L227 HydrophobicContact CB-CD1 4.26Å; L199-L227 HydrophobicContact CD2-CD1 4.22Å; L199-L227 HydrophobicContact CG-CD1 4.31Å; L199-L227 WeakPolarHBondContact O-CA 3.15Å; L199-S228 PolarHBondContact O-N 3.44Å
200H98.9Very high98.4Very high39 Ų3944 Ų4418%0.18123%0.227CC..EExtended strand (participates in β ladder)trans-112.5122.4176.4-66.4176.6000110.7L170 L172 L198 D226 S228L170-H200 PolarHBondContact O-N 3.41Å; L172-H200 PolarHBondContact N-O 3.07Å; L198-H200 HydrophobicContact CD2-CB 4.25Å; H200-D226 IonicContact CD2-OD1 3.58Å; H200-D226 VanDerWaalsContact NE2-CG 3.34Å; H200-D226 IonicContact NE2-OD1 3.45Å; H200-D226 PolarHBondContact NE2-OD1 2.79Å; H200-D226 IonicContact NE2-OD2 3.93Å; H200-S228 VanDerWaalsContact CD2-CB 3.45Å; H200-S228 WeakPolarHBondContact CD2-CB 3.28Å
201L98.9Very high98.4Very high0 Ų041.6 Ų41.60%021%0.213CC..  trans-136.338.6-178.1-59.7174.4000110.3L172 V182 L185 L199 C204 I206 S228 N232L172-L201 HydrophobicContact CB-CD2 3.99Å; L172-L201 HydrophobicContact CD1-CD2 4.14Å; L172-L201 HydrophobicContact CG-CD2 4.42Å; V182-L201 HydrophobicContact CG1-CD1 4.32Å; L185-L201 HydrophobicContact CD2-CD2 3.98Å; L199-L201 HydrophobicContact CD1-CD1 4.24Å; L199-L201 HydrophobicContact CD1-CD2 4.21Å; L199-L201 HydrophobicContact CD1-CG 4.04Å; L199-L201 HydrophobicContact CD2-CD1 4.06Å; L199-L201 HydrophobicContact CG-CD1 4.11Å; L199-L201 HydrophobicContact CG-CG 4.08Å; L201-C204 VanDerWaalsContact C-SG 3.56Å; L201-C204 HydrophobicContact CB-CB 4.35Å; L201-C204 WeakPolarHBondContact O-CB 3.48Å; L201-I206 HydrophobicContact CB-CD1 3.66Å; L201-I206 HydrophobicContact CD1-CD1 4.14Å; L201-S228 PolarHBondContact N-O 2.88Å; L201-N232 PolarHBondContact O-ND2 3.41Å
202E98.9Very high98.5Very high37 Ų3744.4 Ų44.417%0.17322%0.219CC..THydrogen-bonded Turntrans-64.7145.9176.7-57.7177.9157.700110.1S173 N174 C204 S228 G230 W259S173-E202 CarbonylContact C-O 3.43Å; S173-E202 WeakPolarHBondContact CA-O 3.3Å; S173-E202 PolarHBondContact OG-N 2.97Å; N174-E202 PolarHBondContact N-O 2.68Å; E202-C204 PolarHBondContact O-N 3.49Å; E202-C204 VanDerWaalsContact O-N 3.12Å; E202-C204 PolarHBondContact O-SG 3.11Å; E202-S228 WeakPolarHBondContact CG-OG 3.36Å; E202-S228 PolarHBondContact OE1-OG 3.45Å; E202-G230 CarbonylContact C-O 3.59Å; E202-G230 WeakPolarHBondContact CA-O 3.49Å; E202-G230 WeakPolarHBondContact CB-O 3.46Å; E202-W259 HydrophobicContact CB-CZ2 4.29Å; E202-W259 HydrophobicContact CG-CZ2 4.29Å; E202-W259 PolarHBondContact OE1-NE1 2.9Å
203N98.8Very high98.6Very high60 Ų6046.6 Ų46.632%0.32123%0.23SC..THydrogen-bonded Turntrans46.848.2176.8-1677.3000113.6N174 N175 G230 D231 N232N174-N203 WeakPolarHBondContact CA-O 3.37Å; N174-N203 WeakPolarHBondContact OD1-CB 3.37Å; N174-N203 PolarHBondContact OD1-ND2 3.02Å; N175-N203 PolarHBondContact N-O 2.91Å; N203-G230 PolarHBondContact N-O 2.79Å; N203-D231 WeakPolarHBondContact CA-O 2.9Å; N203-D231 HydrophobicContact CB-CB 4.01Å; N203-D231 VanDerWaalsContact CB-OD2 3.27Å; N203-D231 WeakPolarHBondContact CB-OD2 3.39Å; N203-D231 PolarHBondContact N-O 3.03Å; N203-D231 PolarHBondContact ND2-OD2 2.97Å; N203-N232 PolarHBondContact N-ND2 2.95Å
204C98.8Very high98.7Very high0 Ų036.3 Ų36.30%019%0.191CC..SBendtrans-105.34.4-176.6-810000113.1L172 N175 L177 G178 L201 E202 I206 N232L172-C204 PolarHBondContact O-SG 3.18Å; L172-C204 VanDerWaalsContact O-SG 3.32Å; N175-C204 VanDerWaalsContact O-CA 3.28Å; N175-C204 WeakPolarHBondContact O-CA 3.27Å; L177-C204 HydrophobicContact CD1-CB 4.47Å; L177-C204 PolarHBondContact N-O 3.12Å; G178-C204 PolarHBondContact N-O 3.01Å; L201-C204 VanDerWaalsContact C-SG 3.56Å; L201-C204 HydrophobicContact CB-CB 4.35Å; L201-C204 WeakPolarHBondContact O-CB 3.48Å; E202-C204 PolarHBondContact O-N 3.49Å; E202-C204 VanDerWaalsContact O-N 3.12Å; E202-C204 PolarHBondContact O-SG 3.11Å; C204-I206 VanDerWaalsContact C-N 3.33Å; C204-I206 HydrophobicContact CB-CD1 4.06Å; C204-I206 HydrophobicContact CB-CG1 4.02Å; C204-N232 PolarHBondContact N-OD1 2.81Å
205G98.6Very high98.8Very high39 Ų3936.8 Ų36.840%0.40219%0.194SC..  trans68.732.7-172.300000112.5G178 N232G178-G205 WeakPolarHBondContact CA-O 3.47Å; G205-N232 PolarHBondContact N-OD1 3.35Å
206I98.8Very high98.8Very high1 Ų133.1 Ų33.11%0.00518%0.18CC..  trans-76.9133.9174.7-63.6170.7000108.3V182 L201 C204 S210 I214 V229 N232 K233 I234V182-I206 HydrophobicContact CB-CG1 4.42Å; V182-I206 HydrophobicContact CG1-CD1 4.21Å; V182-I206 HydrophobicContact CG1-CG1 4.2Å; V182-I206 HydrophobicContact CG2-CD1 4.26Å; V182-I206 HydrophobicContact CG2-CG1 3.85Å; L201-I206 HydrophobicContact CB-CD1 3.66Å; L201-I206 HydrophobicContact CD1-CD1 4.14Å; C204-I206 VanDerWaalsContact C-N 3.33Å; C204-I206 HydrophobicContact CB-CD1 4.06Å; C204-I206 HydrophobicContact CB-CG1 4.02Å; I206-S210 WeakPolarHBondContact CG2-OG 3.4Å; I206-I214 HydrophobicContact CD1-CD1 4.08Å; I206-I214 HydrophobicContact CG2-CD1 3.97Å; I206-V229 HydrophobicContact CD1-CG1 4.46Å; I206-N232 HydrophobicContact CB-CB 3.85Å; I206-N232 WeakPolarHBondContact CB-OD1 3.43Å; I206-N232 PolarHBondContact N-OD1 3.13Å; I206-N232 WeakPolarHBondContact O-CB 3.41Å; I206-K233 PolarHBondContact O-N 3.44Å; I206-I234 HydrophobicContact CB-CG2 4.5Å; I206-I234 HydrophobicContact CG2-CG2 3.7Å
207T98.8Very high98.8Very high48 Ų4833.1 Ų33.129%0.29418%0.18SC..  trans-120.3-175.9167.2780000109.7D179 D209 S210 C211D179-T207 VanDerWaalsContact CG-OG1 3.32Å; D179-T207 PolarHBondContact OD1-N 3.41Å; D179-T207 PolarHBondContact OD1-OG1 3.32Å; D179-T207 WeakPolarHBondContact OD2-CB 3.21Å; D179-T207 WeakPolarHBondContact OD2-CG2 3.3Å; D179-T207 PolarHBondContact OD2-N 2.84Å; D179-T207 PolarHBondContact OD2-OG1 2.97Å; T207-D209 PolarHBondContact O-N 3.3Å; T207-D209 PolarHBondContact OG1-N 3.07Å; T207-S210 PolarHBondContact O-N 2.8Å; T207-C211 PolarHBondContact O-SG 2.84Å
208S98.6Very high98.8Very high33 Ų3330.6 Ų30.623%0.23117%0.168CC..THydrogen-bonded Turntrans-54.6-21.9175.7710000114.1S210 C211 I234 S237 L241S208-S210 VanDerWaalsContact C-N 3.34Å; S208-S210 PolarHBondContact O-N 3.02Å; S208-C211 PolarHBondContact O-N 3.42Å; S208-I234 WeakPolarHBondContact CB-O 2.87Å; S208-S237 VanDerWaalsContact CB-OG 3.27Å; S208-S237 WeakPolarHBondContact CB-OG 3.3Å; S208-L241 WeakPolarHBondContact O-CD1 3.38Å
209D98.6Very high98.8Very high101 Ų10130.3 Ų30.354%0.5417%0.168SC..THydrogen-bonded Turntrans-64.7-31.5-175-9421.2000114D179 K183 T207D179-D209 HydrophobicContact CB-CB 4.17Å; K183-D209 VanDerWaalsContact CE-C 3.44Å; K183-D209 WeakPolarHBondContact CE-O 3.46Å; K183-D209 PolarHBondContact NZ-O 3.48Å; K183-D209 IonicContact NZ-OD2 3.96Å; T207-D209 PolarHBondContact O-N 3.3Å; T207-D209 PolarHBondContact OG1-N 3.07Å
210S98.6Very high98.7Very high0 Ų035 Ų350%019%0.193CC..THydrogen-bonded Turntrans-103-4.6179.357.60000113.8D179 I206 T207 S208 R212 D213 I214D179-S210 WeakPolarHBondContact OD1-CB 3.45Å; D179-S210 PolarHBondContact OD1-N 2.91Å; D179-S210 PolarHBondContact OD1-OG 3.37Å; I206-S210 WeakPolarHBondContact CG2-OG 3.4Å; T207-S210 PolarHBondContact O-N 2.8Å; S208-S210 VanDerWaalsContact C-N 3.34Å; S208-S210 PolarHBondContact O-N 3.02Å; S210-R212 PolarHBondContact O-N 2.89Å; S210-D213 WeakPolarHBondContact O-CB 3.41Å; S210-D213 PolarHBondContact O-N 3.2Å; S210-I214 PolarHBondContact O-N 3.36Å; S210-I214 VanDerWaalsContact O-N 3.09Å
211C98.9Very high98.7Very high0 Ų033.9 Ų33.90%019%0.188CC..Hα-helixtrans-61.4-28178.9-69.20000113.6T207 S208 D213 S215 G238 L241 L242T207-C211 PolarHBondContact O-SG 2.84Å; S208-C211 PolarHBondContact O-N 3.42Å; C211-D213 VanDerWaalsContact C-N 3.31Å; C211-S215 VanDerWaalsContact O-CB 3.27Å; C211-S215 WeakPolarHBondContact O-CB 3.18Å; C211-S215 PolarHBondContact O-N 3.47Å; C211-G238 WeakPolarHBondContact CB-O 3.42Å; C211-G238 WeakPolarHBondContact SG-CA 3.35Å; C211-L241 HydrophobicContact CB-CB 3.84Å; C211-L241 HydrophobicContact CB-CD1 4.16Å; C211-L242 HydrophobicContact CB-CD2 4.04Å; C211-L242 HydrophobicContact CB-CG 3.99Å
212R98.8Very high98.6Very high161 Ų16137.2 Ų37.261%0.60821%0.211SC*.Hα-helixtrans-64.7-38172.9176.8174.5-86.4161.9-4.4111.5S210 S215 A216 L241S210-R212 PolarHBondContact O-N 2.89Å; R212-S215 WeakPolarHBondContact O-CB 3.38Å; R212-S215 PolarHBondContact O-N 2.82Å; R212-A216 PolarHBondContact O-N 3.22Å; R212-L241 HydrophobicContact CB-CD1 4.49Å; R212-L241 HydrophobicContact CB-CD2 4.45Å
213D98.9Very high98.6Very high50 Ų5036.6 Ų36.627%0.26721%0.211SC..Hα-helixtrans-73.4-39.1-179.6-55.2-98.9000110.8K183 C186 S210 C211 S215 A216 V217K183-D213 HydrophobicContact CG-CB 4.38Å; K183-D213 WeakPolarHBondContact CG-OD2 3.39Å; C186-D213 HydrophobicContact CB-CB 3.7Å; S210-D213 WeakPolarHBondContact O-CB 3.41Å; S210-D213 PolarHBondContact O-N 3.2Å; C211-D213 VanDerWaalsContact C-N 3.31Å; D213-S215 VanDerWaalsContact C-N 3.33Å; D213-S215 PolarHBondContact O-N 2.99Å; D213-A216 WeakPolarHBondContact O-CA 3.5Å; D213-A216 VanDerWaalsContact O-CB 3.29Å; D213-A216 WeakPolarHBondContact O-CB 3.2Å; D213-A216 PolarHBondContact O-N 2.97Å; D213-V217 PolarHBondContact O-N 3.35Å; D213-V217 VanDerWaalsContact O-N 3.13Å
214I98.9Very high98.6Very high1 Ų133.9 Ų33.91%0.00520%0.196CC..Hα-helixtrans-62.5-41.7170.8-59.6169.7000110.6V182 I206 S210 A216 V217 L218 L227 V229 L242V182-I214 HydrophobicContact CG1-CD1 4.25Å; V182-I214 HydrophobicContact CG1-CG1 4.23Å; I206-I214 HydrophobicContact CD1-CD1 4.08Å; I206-I214 HydrophobicContact CG2-CD1 3.97Å; S210-I214 PolarHBondContact O-N 3.36Å; S210-I214 VanDerWaalsContact O-N 3.09Å; I214-A216 PolarHBondContact O-N 2.61Å; I214-V217 WeakPolarHBondContact O-CB 3.02Å; I214-V217 PolarHBondContact O-N 2.97Å; I214-L218 PolarHBondContact O-N 3.21Å; I214-L227 HydrophobicContact CG2-CD1 4.29Å; I214-L227 HydrophobicContact CG2-CD2 3.96Å; I214-V229 HydrophobicContact CD1-CG1 4.27Å; I214-L242 HydrophobicContact CB-CD2 3.66Å; I214-L242 HydrophobicContact CD1-CD2 4.49Å; I214-L242 HydrophobicContact CG2-CD2 3.51Å
215S98.8Very high98.6Very high10 Ų1036.6 Ų36.67%0.0721%0.21CC..Hα-helixtrans-58.4-34.3172168.30000112.6C211 R212 D213 L218 S219 L241 G245C211-S215 VanDerWaalsContact O-CB 3.27Å; C211-S215 WeakPolarHBondContact O-CB 3.18Å; C211-S215 PolarHBondContact O-N 3.47Å; R212-S215 WeakPolarHBondContact O-CB 3.38Å; R212-S215 PolarHBondContact O-N 2.82Å; D213-S215 VanDerWaalsContact C-N 3.33Å; D213-S215 PolarHBondContact O-N 2.99Å; S215-L218 PolarHBondContact O-N 2.99Å; S215-S219 PolarHBondContact O-N 3.08Å; S215-S219 VanDerWaalsContact O-N 3.12Å; S215-S219 PolarHBondContact O-OG 3.5Å; S215-L241 WeakPolarHBondContact CB-O 3.42Å; S215-L241 PolarHBondContact OG-O 3.03Å; S215-G245 WeakPolarHBondContact O-CA 3.12Å; S215-G245 WeakPolarHBondContact OG-CA 3.38Å; S215-G245 PolarHBondContact OG-N 3.03Å
216A98.8Very high98.7Very high35 Ų3535.7 Ų35.729%0.28920%0.196SC..Hα-helixtrans-66.9-38.4173.900000111.7V190 R212 D213 I214 S219 N220V190-A216 HydrophobicContact CG2-CB 4.41Å; R212-A216 PolarHBondContact O-N 3.22Å; D213-A216 WeakPolarHBondContact O-CA 3.5Å; D213-A216 VanDerWaalsContact O-CB 3.29Å; D213-A216 WeakPolarHBondContact O-CB 3.2Å; D213-A216 PolarHBondContact O-N 2.97Å; I214-A216 PolarHBondContact O-N 2.61Å; A216-S219 WeakPolarHBondContact CA-OG 3.39Å; A216-S219 PolarHBondContact O-N 2.62Å; A216-S219 PolarHBondContact O-OG 2.97Å; A216-N220 WeakPolarHBondContact O-CB 3.4Å; A216-N220 PolarHBondContact O-N 3.43Å; A216-N220 VanDerWaalsContact O-N 3.13Å; A216-N220 PolarHBondContact O-ND2 3.44Å
217V98.8Very high98.7Very high1 Ų135.7 Ų35.71%0.00620%0.196CC..Hα-helixtrans-60.9-51.8173.1-177.70000110.3C186 L189 V190 L199 D213 I214 S219 N220 K221 L224C186-V217 HydrophobicContact CB-CG2 3.72Å; L189-V217 HydrophobicContact CB-CG2 4.27Å; L189-V217 HydrophobicContact CD1-CG2 4.46Å; V190-V217 HydrophobicContact CG2-CG2 4.11Å; L199-V217 HydrophobicContact CD2-CG1 4.41Å; D213-V217 PolarHBondContact O-N 3.35Å; D213-V217 VanDerWaalsContact O-N 3.13Å; I214-V217 WeakPolarHBondContact O-CB 3.02Å; I214-V217 PolarHBondContact O-N 2.97Å; V217-S219 PolarHBondContact O-N 3.41Å; V217-N220 PolarHBondContact O-N 3.37Å; V217-N220 VanDerWaalsContact O-N 3.11Å; V217-K221 HydrophobicContact CG1-CB 4.36Å; V217-K221 HydrophobicContact CG1-CG 3.85Å; V217-K221 WeakPolarHBondContact O-CB 3.18Å; V217-K221 PolarHBondContact O-N 2.9Å; V217-L224 HydrophobicContact CG1-CD2 4.13Å
218L98.8Very high98.7Very high1 Ų133.4 Ų33.41%0.00518%0.182CC..Hα-helixtrans-55.1-36.2179.1-76.9163.5000113.6I214 S215 L224 L227 L246 C251 I253I214-L218 PolarHBondContact O-N 3.21Å; S215-L218 PolarHBondContact O-N 2.99Å; L218-L224 HydrophobicContact CD2-CD2 3.9Å; L218-L224 HydrophobicContact CG-CD2 4.42Å; L218-L227 HydrophobicContact CD1-CD2 3.81Å; L218-L227 HydrophobicContact CD2-CD2 3.95Å; L218-L227 HydrophobicContact CG-CD2 4.07Å; L218-L246 HydrophobicContact CD1-CD2 3.88Å; L218-L246 HydrophobicContact CD1-CG 3.98Å; L218-L246 HydrophobicContact CD2-CD2 4.02Å; L218-C251 WeakPolarHBondContact O-CB 3.42Å; L218-I253 HydrophobicContact CD2-CD1 4.12Å
219S98.3Very high98.7Very high19 Ų1931.8 Ų31.813%0.13317%0.171CC..Hα-helixtrans-82.6-21.8-178.951.70000114.3S215 A216 V217 H248 N250S215-S219 PolarHBondContact O-N 3.08Å; S215-S219 VanDerWaalsContact O-N 3.12Å; S215-S219 PolarHBondContact O-OG 3.5Å; A216-S219 WeakPolarHBondContact CA-OG 3.39Å; A216-S219 PolarHBondContact O-N 2.62Å; A216-S219 PolarHBondContact O-OG 2.97Å; V217-S219 PolarHBondContact O-N 3.41Å; S219-H248 PolarHBondContact O-ND1 2.87Å; S219-N250 WeakPolarHBondContact O-CB 3.39Å
220N98.4Very high98.7Very high99 Ų9927 Ų2753%0.52915%0.145SC..Hα-helixtrans-104.8-21.7-178.2-73.4-87000113.9V190 A216 V217V190-N220 HydrophobicContact CG1-CB 4.16Å; V190-N220 HydrophobicContact CG2-CB 4.34Å; A216-N220 WeakPolarHBondContact O-CB 3.4Å; A216-N220 PolarHBondContact O-N 3.43Å; A216-N220 VanDerWaalsContact O-N 3.13Å; A216-N220 PolarHBondContact O-ND2 3.44Å; V217-N220 PolarHBondContact O-N 3.37Å; V217-N220 VanDerWaalsContact O-N 3.11Å
221K98.1Very high98.7Very high16 Ų1629.2 Ų29.27%0.0716%0.157CC..  trans-102.584.4177.1-63.2-60.8-173.8178.90110.4L189 A192 C194 V217 S223 L224L189-K221 WeakPolarHBondContact O-CE 3.46Å; L189-K221 PolarHBondContact O-NZ 3.39Å; A192-K221 PolarHBondContact O-NZ 3.27Å; C194-K221 PolarHBondContact O-NZ 3.21Å; V217-K221 HydrophobicContact CG1-CB 4.36Å; V217-K221 HydrophobicContact CG1-CG 3.85Å; V217-K221 WeakPolarHBondContact O-CB 3.18Å; V217-K221 PolarHBondContact O-N 2.9Å; K221-S223 PolarHBondContact O-N 3.06Å; K221-L224 HydrophobicContact CB-CB 3.95Å; K221-L224 VanDerWaalsContact O-CB 3.31Å; K221-L224 WeakPolarHBondContact O-CB 3.45Å; K221-L224 PolarHBondContact O-N 3.25Å
222S97.6Very high98.7Very high70 Ų7029.4 Ų29.449%0.4916%0.158SC..THydrogen-bonded Turntrans-66.4-16176.7560000113.8L224 N250S222-L224 VanDerWaalsContact C-N 3.33Å; S222-N250 WeakPolarHBondContact CA-O 2.97Å; S222-N250 VanDerWaalsContact CB-O 3.3Å; S222-N250 WeakPolarHBondContact CB-O 3.45Å
223S98.6Very high98.7Very high24 Ų2428.7 Ų28.717%0.16816%0.16CC..THydrogen-bonded Turntrans-75.3-18.7171.7530000113.2D195 L196 E197 K221 I225D195-S223 WeakPolarHBondContact CA-OG 3.45Å; L196-S223 PolarHBondContact N-OG 2.84Å; L196-S223 CarbonylContact O-C 3.57Å; L196-S223 WeakPolarHBondContact O-CB 3.43Å; L196-S223 PolarHBondContact O-OG 3.3Å; E197-S223 WeakPolarHBondContact CA-O 3.43Å; K221-S223 PolarHBondContact O-N 3.06Å; S223-I225 PolarHBondContact O-N 3.2Å
224L98.9Very high98.7Very high2 Ų226.4 Ų26.41%0.0115%0.147CC..  trans-71.7113.3-173.5-172.267.3000110L196 L199 V217 L218 K221 S222 D226L196-L224 HydrophobicContact CD2-CD1 4.3Å; L196-L224 VanDerWaalsContact O-CA 3.23Å; L196-L224 WeakPolarHBondContact O-CA 3.48Å; L196-L224 PolarHBondContact O-N 3.3Å; L196-L224 VanDerWaalsContact O-N 3.07Å; L199-L224 HydrophobicContact CB-CD1 4Å; V217-L224 HydrophobicContact CG1-CD2 4.13Å; L218-L224 HydrophobicContact CD2-CD2 3.9Å; L218-L224 HydrophobicContact CG-CD2 4.42Å; K221-L224 HydrophobicContact CB-CB 3.95Å; K221-L224 VanDerWaalsContact O-CB 3.31Å; K221-L224 WeakPolarHBondContact O-CB 3.45Å; K221-L224 PolarHBondContact O-N 3.25Å; S222-L224 VanDerWaalsContact C-N 3.33Å; L224-D226 WeakPolarHBondContact CD1-O 3.48Å
225I98.8Very high98.7Very high58 Ų5827 Ų2730%0.29715%0.154SC..  trans-111.2-23.1-177.857.3168.8000112.4E197 S223 Q254 K255E197-I225 HydrophobicContact CB-CD1 4.48Å; E197-I225 HydrophobicContact CB-CG1 4.17Å; E197-I225 WeakPolarHBondContact O-CG1 3.32Å; E197-I225 PolarHBondContact O-N 2.89Å; S223-I225 PolarHBondContact O-N 3.2Å; I225-Q254 HydrophobicContact CB-CB 4.34Å; I225-Q254 HydrophobicContact CB-CG 4.08Å; I225-Q254 HydrophobicContact CG2-CG 4.14Å; I225-Q254 CarbonylContact O-C 3.54Å; I225-Q254 WeakPolarHBondContact O-CA 3.09Å; I225-Q254 PolarHBondContact O-N 3.22Å; I225-K255 PolarHBondContact O-N 3.38Å
226D98.9Very high98.7Very high19 Ų1928.5 Ų28.510%0.10216%0.161CC..EExtended strand (participates in β ladder)trans-129.2119.6-179.8-168.7-26.9000110.7E197 L198 L199 H200 L224 K255E197-D226 PolarHBondContact O-N 3.01Å; L198-D226 WeakPolarHBondContact CA-O 3.36Å; L198-D226 HydrophobicContact CB-CB 4.17Å; L198-D226 HydrophobicContact CD1-CB 4.21Å; L198-D226 HydrophobicContact CG-CB 4.02Å; L199-D226 PolarHBondContact N-O 3.44Å; H200-D226 IonicContact CD2-OD1 3.58Å; H200-D226 VanDerWaalsContact NE2-CG 3.34Å; H200-D226 IonicContact NE2-OD1 3.45Å; H200-D226 PolarHBondContact NE2-OD1 2.79Å; H200-D226 IonicContact NE2-OD2 3.93Å; L224-D226 WeakPolarHBondContact CD1-O 3.48Å; D226-K255 HydrophobicContact CB-CB 4.23Å; D226-K255 HydrophobicContact CB-CD 4.36Å; D226-K255 WeakPolarHBondContact OD2-CD 3.34Å
227L98.9Very high98.7Very high1 Ų130.3 Ų30.31%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-124.8124.2172.917665.5000108.7L199 I214 L218 V229 I253 K255 L256 W257L199-L227 HydrophobicContact CB-CD1 4.26Å; L199-L227 HydrophobicContact CD2-CD1 4.22Å; L199-L227 HydrophobicContact CG-CD1 4.31Å; L199-L227 WeakPolarHBondContact O-CA 3.15Å; I214-L227 HydrophobicContact CG2-CD1 4.29Å; I214-L227 HydrophobicContact CG2-CD2 3.96Å; L218-L227 HydrophobicContact CD1-CD2 3.81Å; L218-L227 HydrophobicContact CD2-CD2 3.95Å; L218-L227 HydrophobicContact CG-CD2 4.07Å; L227-V229 HydrophobicContact CD1-CG1 3.93Å; L227-V229 HydrophobicContact CG-CG1 4.22Å; L227-I253 HydrophobicContact CB-CD1 3.78Å; L227-K255 PolarHBondContact N-O 3.06Å; L227-K255 VanDerWaalsContact N-O 3.08Å; L227-L256 HydrophobicContact CB-CD1 4.42Å; L227-L256 HydrophobicContact CD2-CD1 4.19Å; L227-L256 HydrophobicContact CG-CD1 4.46Å; L227-W257 PolarHBondContact O-N 2.83Å
228S98.9Very high98.7Very high0 Ų030.3 Ų30.30%017%0.171CC..EExtended strand (participates in β ladder)trans-120.3126.9167.6-169.50000112.5L199 H200 L201 E202 W257L199-S228 PolarHBondContact O-N 3.44Å; H200-S228 VanDerWaalsContact CD2-CB 3.45Å; H200-S228 WeakPolarHBondContact CD2-CB 3.28Å; L201-S228 PolarHBondContact N-O 2.88Å; E202-S228 WeakPolarHBondContact CG-OG 3.36Å; E202-S228 PolarHBondContact OE1-OG 3.45Å; S228-W257 WeakPolarHBondContact OG-CB 3.16Å
229V98.8Very high98.7Very high0 Ų030.2 Ų30.20%017%0.171CC..  trans-135.523.9174.8-60.40000111.1I206 I214 L227 N232 I234 L242 W257 L258 C261I206-V229 HydrophobicContact CD1-CG1 4.46Å; I214-V229 HydrophobicContact CD1-CG1 4.27Å; L227-V229 HydrophobicContact CD1-CG1 3.93Å; L227-V229 HydrophobicContact CG-CG1 4.22Å; V229-N232 WeakPolarHBondContact O-CB 3.3Å; V229-N232 PolarHBondContact O-ND2 2.93Å; V229-I234 HydrophobicContact CG2-CD1 4.46Å; V229-L242 HydrophobicContact CG2-CD1 4.26Å; V229-W257 PolarHBondContact N-O 3.03Å; V229-L258 HydrophobicContact CG2-CD2 3.46Å; V229-L258 VanDerWaalsContact CG2-CD2 3.46Å; V229-C261 PolarHBondContact O-SG 3.12Å
230G98.8Very high98.7Very high0 Ų030.7 Ų30.70%018%0.176CC..  trans-59.9163.317700000113.8E202 N203 N232 W257 W259E202-G230 CarbonylContact C-O 3.59Å; E202-G230 WeakPolarHBondContact CA-O 3.49Å; E202-G230 WeakPolarHBondContact CB-O 3.46Å; N203-G230 PolarHBondContact N-O 2.79Å; G230-N232 PolarHBondContact O-N 2.89Å; G230-N232 PolarHBondContact O-ND2 3.34Å; G230-W257 PolarHBondContact N-O 2.8Å; G230-W259 CarbonylContact C-O 3.43Å; G230-W259 WeakPolarHBondContact CA-O 3.46Å
231D98.8Very high98.7Very high46 Ų4627.8 Ų27.825%0.24616%0.16CC..SBendtrans51.445.1-173.9-170.311.3000112N203 W259 D260N203-D231 WeakPolarHBondContact CA-O 2.9Å; N203-D231 HydrophobicContact CB-CB 4.01Å; N203-D231 VanDerWaalsContact CB-OD2 3.27Å; N203-D231 WeakPolarHBondContact CB-OD2 3.39Å; N203-D231 PolarHBondContact N-O 3.03Å; N203-D231 PolarHBondContact ND2-OD2 2.97Å; D231-W259 HydrophobicContact CB-CE3 4.31Å; D231-W259 HydrophobicContact CB-CH2 3.52Å; D231-W259 HydrophobicContact CB-CZ2 4.2Å; D231-W259 HydrophobicContact CB-CZ3 3.59Å; D231-W259 PolarHBondContact N-O 2.89Å; D231-D260 WeakPolarHBondContact CA-O 3.37Å; D231-D260 PolarHBondContact N-O 3.17Å
232N98.8Very high98.7Very high4 Ų427.1 Ų27.12%0.02116%0.157CC..SBendtrans-137.9133.8174.5-72.4-76.8000109.5L201 N203 C204 G205 I206 V229 G230 I234 D260 C261L201-N232 PolarHBondContact O-ND2 3.41Å; N203-N232 PolarHBondContact N-ND2 2.95Å; C204-N232 PolarHBondContact N-OD1 2.81Å; G205-N232 PolarHBondContact N-OD1 3.35Å; I206-N232 HydrophobicContact CB-CB 3.85Å; I206-N232 WeakPolarHBondContact CB-OD1 3.43Å; I206-N232 PolarHBondContact N-OD1 3.13Å; I206-N232 WeakPolarHBondContact O-CB 3.41Å; V229-N232 WeakPolarHBondContact O-CB 3.3Å; V229-N232 PolarHBondContact O-ND2 2.93Å; G230-N232 PolarHBondContact O-N 2.89Å; G230-N232 PolarHBondContact O-ND2 3.34Å; N232-I234 HydrophobicContact CB-CG2 4.07Å; N232-I234 PolarHBondContact O-N 3.02Å; N232-D260 PolarHBondContact N-O 2.96Å; N232-C261 CarbonylContact O-C 3.15Å; N232-C261 VanDerWaalsContact O-CA 3.23Å; N232-C261 WeakPolarHBondContact O-CA 2.78Å
233K98.6Very high98.8Very high147 Ų14723.8 Ų23.864%0.63913%0.134SC*.  trans-79.257.7-173.8-55.2-170.7177.8-179.70112.1I206 D262I206-K233 PolarHBondContact O-N 3.44Å; K233-D262 VanDerWaalsContact CB-OD2 3.3Å; K233-D262 WeakPolarHBondContact CB-OD2 3.36Å; K233-D262 WeakPolarHBondContact CG-OD2 3.42Å
234I98.8Very high98.8Very high2 Ų227.8 Ų27.81%0.0115%0.15CC..  trans-74-32.7-178.863.4169.7000111.4I206 S208 V229 N232 G238 L242 L258 C261 L263I206-I234 HydrophobicContact CB-CG2 4.5Å; I206-I234 HydrophobicContact CG2-CG2 3.7Å; S208-I234 WeakPolarHBondContact CB-O 2.87Å; V229-I234 HydrophobicContact CG2-CD1 4.46Å; N232-I234 HydrophobicContact CB-CG2 4.07Å; N232-I234 PolarHBondContact O-N 3.02Å; I234-G238 VanDerWaalsContact O-CA 3.29Å; I234-G238 WeakPolarHBondContact O-CA 3.29Å; I234-G238 PolarHBondContact O-N 3.28Å; I234-L242 HydrophobicContact CD1-CD1 3.77Å; I234-L258 HydrophobicContact CD1-CD2 3.91Å; I234-C261 HydrophobicContact CD1-CB 4.02Å; I234-C261 HydrophobicContact CG1-CB 3.78Å; I234-L263 HydrophobicContact CD1-CD2 4.36Å; I234-L263 HydrophobicContact CG1-CD2 4.22Å
235G98.8Very high98.8Very high13 Ų1327.7 Ų27.713%0.13415%0.15CC..Hα-helixtrans57.5-176.7-176.800000114S237 G238 L239 C261G235-S237 PolarHBondContact O-N 3.09Å; G235-G238 PolarHBondContact O-N 3.06Å; G235-L239 PolarHBondContact O-N 3.08Å; G235-C261 WeakPolarHBondContact CA-O 3.4Å; G235-C261 PolarHBondContact N-O 2.74Å
236D98.8Very high98.8Very high42 Ų4225 Ų2523%0.22514%0.136CC..Hα-helixtrans-61.7-32.2-179.5-62.3-41.7000112.9A240 T264 G267D236-A240 WeakPolarHBondContact O-CB 3.35Å; D236-A240 PolarHBondContact O-N 2.86Å; D236-T264 PolarHBondContact OD1-N 3.48Å; D236-T264 WeakPolarHBondContact OD2-CB 3.46Å; D236-T264 PolarHBondContact OD2-OG1 3Å; D236-G267 VanDerWaalsContact OD1-CA 3.31Å; D236-G267 WeakPolarHBondContact OD1-CA 3.46Å; D236-G267 PolarHBondContact OD1-N 3.09Å
237S98.5Very high98.8Very high73 Ų7325.9 Ų25.951%0.5114%0.14SC..Hα-helixtrans-67.7-42.8177.353.10000112.2S208 G235 A240 L241S208-S237 VanDerWaalsContact CB-OG 3.27Å; S208-S237 WeakPolarHBondContact CB-OG 3.3Å; G235-S237 PolarHBondContact O-N 3.09Å; S237-A240 PolarHBondContact O-N 3.45Å; S237-L241 WeakPolarHBondContact O-CG 3.41Å; S237-L241 PolarHBondContact O-N 3.25Å
238G98.8Very high98.7Very high0 Ų029.2 Ų29.20%016%0.156CC..Hα-helixtrans-65.2-45.2174.700000111.3C211 I234 G235 A240 L241 L242C211-G238 WeakPolarHBondContact CB-O 3.42Å; C211-G238 WeakPolarHBondContact SG-CA 3.35Å; I234-G238 VanDerWaalsContact O-CA 3.29Å; I234-G238 WeakPolarHBondContact O-CA 3.29Å; I234-G238 PolarHBondContact O-N 3.28Å; G235-G238 PolarHBondContact O-N 3.06Å; G238-A240 VanDerWaalsContact C-N 3.33Å; G238-A240 PolarHBondContact O-N 3.02Å; G238-L241 WeakPolarHBondContact O-CA 3.31Å; G238-L241 WeakPolarHBondContact O-CB 3.37Å; G238-L241 PolarHBondContact O-N 3.3Å; G238-L242 WeakPolarHBondContact O-CG 3.48Å; G238-L242 PolarHBondContact O-N 3.06Å
239L98.9Very high98.7Very high0 Ų033.7 Ų33.70%019%0.185CC..Hα-helixtrans-58.4-43175.4178.160.5000112.6G235 L241 L242 C243 L258 L263 L271G235-L239 PolarHBondContact O-N 3.08Å; L239-L241 PolarHBondContact O-N 3.39Å; L239-L242 PolarHBondContact O-N 2.7Å; L239-C243 WeakPolarHBondContact O-CB 3.41Å; L239-C243 PolarHBondContact O-N 3.38Å; L239-C243 PolarHBondContact O-SG 2.81Å; L239-L258 HydrophobicContact CD1-CD1 3.85Å; L239-L263 HydrophobicContact CB-CD2 3.75Å; L239-L263 HydrophobicContact CD2-CD1 3.99Å; L239-L263 HydrophobicContact CD2-CD2 3.75Å; L239-L263 HydrophobicContact CD2-CG 4.36Å; L239-L263 HydrophobicContact CG-CD2 4.31Å; L239-L271 HydrophobicContact CD1-CD1 4.19Å; L239-L271 HydrophobicContact CD1-CD2 3.88Å; L239-L271 HydrophobicContact CD1-CG 3.87Å; L239-L271 HydrophobicContact CD2-CD1 3.64Å; L239-L271 HydrophobicContact CD2-CG 3.79Å; L239-L271 HydrophobicContact CG-CG 4.26Å
240A98.8Very high98.6Very high29 Ų2937.8 Ų37.824%0.2421%0.207CC..Hα-helixtrans-61.2-34176.200000112.4D236 S237 G238D236-A240 WeakPolarHBondContact O-CB 3.35Å; D236-A240 PolarHBondContact O-N 2.86Å; S237-A240 PolarHBondContact O-N 3.45Å; G238-A240 VanDerWaalsContact C-N 3.33Å; G238-A240 PolarHBondContact O-N 3.02Å
241L98.8Very high98.5Very high37 Ų3737.9 Ų37.919%0.19421%0.207CC..Hα-helixtrans-70.5-47.2172.5-68.3169.1000111.5S208 C211 R212 S215 S237 G238 L239 C243 Q244S208-L241 WeakPolarHBondContact O-CD1 3.38Å; C211-L241 HydrophobicContact CB-CB 3.84Å; C211-L241 HydrophobicContact CB-CD1 4.16Å; R212-L241 HydrophobicContact CB-CD1 4.49Å; R212-L241 HydrophobicContact CB-CD2 4.45Å; S215-L241 WeakPolarHBondContact CB-O 3.42Å; S215-L241 PolarHBondContact OG-O 3.03Å; S237-L241 WeakPolarHBondContact O-CG 3.41Å; S237-L241 PolarHBondContact O-N 3.25Å; G238-L241 WeakPolarHBondContact O-CA 3.31Å; G238-L241 WeakPolarHBondContact O-CB 3.37Å; G238-L241 PolarHBondContact O-N 3.3Å; L239-L241 PolarHBondContact O-N 3.39Å; L241-C243 VanDerWaalsContact C-N 3.25Å; L241-C243 PolarHBondContact O-N 3.1Å; L241-Q244 VanDerWaalsContact O-CB 3.3Å; L241-Q244 WeakPolarHBondContact O-CB 3.46Å; L241-Q244 PolarHBondContact O-N 3.13Å
242L98.8Very high98.5Very high2 Ų240.3 Ų40.31%0.0122%0.216CC..Hα-helixtrans-56.6-41176.6-68.6179.1000111.8C211 I214 V229 I234 G238 L239 Q244 G245 L246 L258C211-L242 HydrophobicContact CB-CD2 4.04Å; C211-L242 HydrophobicContact CB-CG 3.99Å; I214-L242 HydrophobicContact CB-CD2 3.66Å; I214-L242 HydrophobicContact CD1-CD2 4.49Å; I214-L242 HydrophobicContact CG2-CD2 3.51Å; V229-L242 HydrophobicContact CG2-CD1 4.26Å; I234-L242 HydrophobicContact CD1-CD1 3.77Å; G238-L242 WeakPolarHBondContact O-CG 3.48Å; G238-L242 PolarHBondContact O-N 3.06Å; L239-L242 PolarHBondContact O-N 2.7Å; L242-Q244 PolarHBondContact O-N 3.11Å; L242-Q244 VanDerWaalsContact O-N 3.13Å; L242-G245 PolarHBondContact O-N 2.82Å; L242-L246 WeakPolarHBondContact O-CG 3.39Å; L242-L246 PolarHBondContact O-N 3.07Å; L242-L258 HydrophobicContact CD1-CD2 4.12Å
243C98.8Very high98.5Very high0 Ų040.1 Ų40.10%022%0.215CC..Hα-helixtrans-60.2-23.9178.6-720000113.4L239 L241 L247 D270 V274L239-C243 WeakPolarHBondContact O-CB 3.41Å; L239-C243 PolarHBondContact O-N 3.38Å; L239-C243 PolarHBondContact O-SG 2.81Å; L241-C243 VanDerWaalsContact C-N 3.25Å; L241-C243 PolarHBondContact O-N 3.1Å; C243-L247 VanDerWaalsContact O-CB 3.23Å; C243-L247 WeakPolarHBondContact O-CB 3.36Å; C243-L247 WeakPolarHBondContact O-CD1 3.43Å; C243-L247 WeakPolarHBondContact O-CG 3.48Å; C243-L247 PolarHBondContact O-N 3.04Å; C243-D270 HydrophobicContact CB-CB 4.08Å; C243-V274 HydrophobicContact CB-CG2 4.16Å
244Q98.6Very high98.5Very high108 Ų10837 Ų3751%0.50520%0.202SC..Hα-helixtrans-64.6-42.5173.6-60.6173.724.600111.1L241 L242 H248L241-Q244 VanDerWaalsContact O-CB 3.3Å; L241-Q244 WeakPolarHBondContact O-CB 3.46Å; L241-Q244 PolarHBondContact O-N 3.13Å; L242-Q244 PolarHBondContact O-N 3.11Å; L242-Q244 VanDerWaalsContact O-N 3.13Å; Q244-H248 PolarHBondContact O-N 3.21Å
245G98.7Very high98.5Very high1 Ų140 Ų401%0.0122%0.216CC..Hα-helixtrans-72.3-45.5176.400000111.9S215 L242 L247 H248 C251S215-G245 WeakPolarHBondContact O-CA 3.12Å; S215-G245 WeakPolarHBondContact OG-CA 3.38Å; S215-G245 PolarHBondContact OG-N 3.03Å; L242-G245 PolarHBondContact O-N 2.82Å; G245-L247 VanDerWaalsContact C-N 3.27Å; G245-L247 PolarHBondContact O-N 3.13Å; G245-H248 WeakPolarHBondContact O-CB 3.3Å; G245-H248 PolarHBondContact O-N 3.09Å; G245-C251 VanDerWaalsContact O-CB 3.32Å; G245-C251 WeakPolarHBondContact O-CB 3.28Å
246L98.8Very high98.5Very high1 Ų139.4 Ų39.41%0.00521%0.209CC..Hα-helixtrans-57.2-41.3176.9-65.4167.9000111.3L218 L242 H248 I253 L256 V274 K278L218-L246 HydrophobicContact CD1-CD2 3.88Å; L218-L246 HydrophobicContact CD1-CG 3.98Å; L218-L246 HydrophobicContact CD2-CD2 4.02Å; L242-L246 WeakPolarHBondContact O-CG 3.39Å; L242-L246 PolarHBondContact O-N 3.07Å; L246-H248 VanDerWaalsContact C-N 3.29Å; L246-H248 PolarHBondContact O-N 3Å; L246-I253 HydrophobicContact CD2-CB 4.36Å; L246-I253 HydrophobicContact CD2-CG1 4.37Å; L246-I253 HydrophobicContact CD2-CG2 3.82Å; L246-L256 HydrophobicContact CD1-CD2 3.73Å; L246-L256 HydrophobicContact CD2-CD1 4.41Å; L246-L256 HydrophobicContact CD2-CD2 4.15Å; L246-V274 HydrophobicContact CB-CG1 4.14Å; L246-V274 HydrophobicContact CB-CG2 3.99Å; L246-V274 HydrophobicContact CD1-CG1 4.42Å; L246-V274 HydrophobicContact CD1-CG2 4.18Å; L246-K278 VanDerWaalsContact O-CD 3.3Å; L246-K278 WeakPolarHBondContact O-CD 3.22Å; L246-K278 WeakPolarHBondContact O-CE 3.46Å; L246-K278 PolarHBondContact O-NZ 3.47Å
247L98.6Very high98.6Very high37 Ų3740.1 Ų40.119%0.19421%0.209CC..Hα-helixtrans-76.4-13.3179.3-69168.4000113.9C243 G245 R273 V274 T277 K278C243-L247 VanDerWaalsContact O-CB 3.23Å; C243-L247 WeakPolarHBondContact O-CB 3.36Å; C243-L247 WeakPolarHBondContact O-CD1 3.43Å; C243-L247 WeakPolarHBondContact O-CG 3.48Å; C243-L247 PolarHBondContact O-N 3.04Å; G245-L247 VanDerWaalsContact C-N 3.27Å; G245-L247 PolarHBondContact O-N 3.13Å; L247-R273 HydrophobicContact CD1-CG 3.95Å; L247-R273 HydrophobicContact CD2-CG 4.12Å; L247-V274 HydrophobicContact CD2-CG2 4.1Å; L247-V274 HydrophobicContact CG-CG2 4.02Å; L247-T277 HydrophobicContact CD2-CG2 4.05Å; L247-K278 PolarHBondContact O-NZ 3.03Å
248H98.6Very high98.6Very high71 Ų7136.6 Ų36.633%0.32919%0.185SC..SBendtrans-60.5136.1179.2-167.3-97.8000111.7S219 Q244 G245 L246 N250 C251 K278S219-H248 PolarHBondContact O-ND1 2.87Å; Q244-H248 PolarHBondContact O-N 3.21Å; G245-H248 WeakPolarHBondContact O-CB 3.3Å; G245-H248 PolarHBondContact O-N 3.09Å; L246-H248 VanDerWaalsContact C-N 3.29Å; L246-H248 PolarHBondContact O-N 3Å; H248-N250 PolarHBondContact CE1-ND2 3.26Å; H248-N250 PolarHBondContact ND1-N 2.94Å; H248-N250 PolarHBondContact O-N 3.02Å; H248-N250 VanDerWaalsContact O-N 3.07Å; H248-C251 WeakPolarHBondContact O-CB 3.37Å; H248-C251 PolarHBondContact O-N 2.86Å; H248-K278 PolarHBondContact O-NZ 3.39Å
249P97.8Very high98.6Very high95 Ų9539.9 Ų39.962%0.61720%0.197SC*.THydrogen-bonded Turntrans-57.2-28.8-174.2-27.935.6000115.5K252P249-K252 PolarHBondContact O-NZ 2.79Å; P249-K252 VanDerWaalsContact O-NZ 3.11Å
250N96Very high98.6Very high85 Ų8542.2 Ų42.246%0.45521%0.209SC..THydrogen-bonded Turntrans-76.7-21.1178.8-62.9-8.6000113.4S219 S222 H248 K252S219-N250 WeakPolarHBondContact O-CB 3.39Å; S222-N250 WeakPolarHBondContact CA-O 2.97Å; S222-N250 VanDerWaalsContact CB-O 3.3Å; S222-N250 WeakPolarHBondContact CB-O 3.45Å; H248-N250 PolarHBondContact CE1-ND2 3.26Å; H248-N250 PolarHBondContact ND1-N 2.94Å; H248-N250 PolarHBondContact O-N 3.02Å; H248-N250 VanDerWaalsContact O-N 3.07Å; N250-K252 PolarHBondContact O-N 2.95Å
251C98.6Very high98.6Very high2 Ų240.8 Ų40.81%0.01420%0.198CC..  trans-71.1124.1179.9-177.10000109.6L218 G245 H248L218-C251 WeakPolarHBondContact O-CB 3.42Å; G245-C251 VanDerWaalsContact O-CB 3.32Å; G245-C251 WeakPolarHBondContact O-CB 3.28Å; H248-C251 WeakPolarHBondContact O-CB 3.37Å; H248-C251 PolarHBondContact O-N 2.86Å
252K98.3Very high98.6Very high98 Ų9843.2 Ų43.243%0.42621%0.211SC..  trans-119.229.4-179.7-56.3-57.3177.6-163.10112P249 N250 Q254 T280P249-K252 PolarHBondContact O-NZ 2.79Å; P249-K252 VanDerWaalsContact O-NZ 3.11Å; N250-K252 PolarHBondContact O-N 2.95Å; K252-Q254 PolarHBondContact O-N 2.75Å; K252-T280 HydrophobicContact CB-CG2 4.44Å; K252-T280 HydrophobicContact CD-CG2 4.06Å
253I98.7Very high98.6Very high0 Ų043.2 Ų43.20%021%0.211CC..  trans-52.1138.1-179.1-163.770.6000110.7L218 L227 L246 K255 T280 L281L218-I253 HydrophobicContact CD2-CD1 4.12Å; L227-I253 HydrophobicContact CB-CD1 3.78Å; L246-I253 HydrophobicContact CD2-CB 4.36Å; L246-I253 HydrophobicContact CD2-CG1 4.37Å; L246-I253 HydrophobicContact CD2-CG2 3.82Å; I253-K255 WeakPolarHBondContact CD1-O 3.4Å; I253-K255 WeakPolarHBondContact CG1-O 3.45Å; I253-T280 CarbonylContact O-C 3.42Å; I253-T280 WeakPolarHBondContact O-CB 3.07Å; I253-T280 VanDerWaalsContact O-O 3.06Å; I253-T280 PolarHBondContact O-OG1 3.3Å; I253-L281 HydrophobicContact CG2-CD1 4.27Å; I253-L281 PolarHBondContact O-N 3.39Å
254Q98.9Very high98.5Very high80 Ų8045.4 Ų45.437%0.37423%0.225SC..  trans-115.7-39.8177.4-59.2-17527.500111.6I225 K252 T280 I282 E283I225-Q254 HydrophobicContact CB-CB 4.34Å; I225-Q254 HydrophobicContact CB-CG 4.08Å; I225-Q254 HydrophobicContact CG2-CG 4.14Å; I225-Q254 CarbonylContact O-C 3.54Å; I225-Q254 WeakPolarHBondContact O-CA 3.09Å; I225-Q254 PolarHBondContact O-N 3.22Å; K252-Q254 PolarHBondContact O-N 2.75Å; Q254-T280 VanDerWaalsContact CA-O 3.3Å; Q254-T280 WeakPolarHBondContact CA-O 3.24Å; Q254-T280 WeakPolarHBondContact CG-O 3.29Å; Q254-I282 HydrophobicContact CB-CG1 4.26Å; Q254-I282 PolarHBondContact O-N 3.11Å; Q254-E283 PolarHBondContact O-N 3.35Å
255K98.9Very high98.5Very high66 Ų6642 Ų4229%0.28721%0.212SC..EExtended strand (participates in β ladder)trans-119.7127.5-179-53.5178.7176.7-113.70109.7I225 D226 L227 I253 E283I225-K255 PolarHBondContact O-N 3.38Å; D226-K255 HydrophobicContact CB-CB 4.23Å; D226-K255 HydrophobicContact CB-CD 4.36Å; D226-K255 WeakPolarHBondContact OD2-CD 3.34Å; L227-K255 PolarHBondContact N-O 3.06Å; L227-K255 VanDerWaalsContact N-O 3.08Å; I253-K255 WeakPolarHBondContact CD1-O 3.4Å; I253-K255 WeakPolarHBondContact CG1-O 3.45Å; K255-E283 WeakPolarHBondContact CA-O 3.25Å; K255-E283 HydrophobicContact CB-CB 4.43Å; K255-E283 WeakPolarHBondContact CD-OE2 3.27Å; K255-E283 VanDerWaalsContact CE-OE1 3.3Å; K255-E283 WeakPolarHBondContact CE-OE1 3.47Å; K255-E283 WeakPolarHBondContact CE-OE2 3.3Å; K255-E283 HydrophobicContact CG-CB 4.16Å; K255-E283 HydrophobicContact CG-CG 4.39Å; K255-E283 IonicContact NZ-OE1 3.08Å; K255-E283 PolarHBondContact NZ-OE1 3.2Å; K255-E283 IonicContact NZ-OE2 3.67Å; K255-E283 PolarHBondContact NZ-OE2 2.86Å
256L98.9Very high98.5Very high1 Ų144.7 Ų44.71%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-132.8111-180-179.561.6000110.1L227 L246 L258 L271 L281 E283 I284 S285L227-L256 HydrophobicContact CB-CD1 4.42Å; L227-L256 HydrophobicContact CD2-CD1 4.19Å; L227-L256 HydrophobicContact CG-CD1 4.46Å; L246-L256 HydrophobicContact CD1-CD2 3.73Å; L246-L256 HydrophobicContact CD2-CD1 4.41Å; L246-L256 HydrophobicContact CD2-CD2 4.15Å; L256-L258 HydrophobicContact CD1-CD1 4.25Å; L256-L258 HydrophobicContact CD1-CD2 4.34Å; L256-L258 HydrophobicContact CD1-CG 4.08Å; L256-L258 HydrophobicContact CD2-CD1 3.74Å; L256-L258 HydrophobicContact CD2-CG 4.41Å; L256-L258 HydrophobicContact CG-CD1 3.8Å; L256-L258 HydrophobicContact CG-CG 3.92Å; L256-L271 HydrophobicContact CD2-CD2 4.38Å; L256-L281 HydrophobicContact CB-CD1 3.91Å; L256-E283 PolarHBondContact N-O 2.83Å; L256-I284 HydrophobicContact CB-CG1 4.33Å; L256-I284 HydrophobicContact CD2-CD1 4.28Å; L256-I284 VanDerWaalsContact O-CA 3.31Å; L256-I284 WeakPolarHBondContact O-CA 3.14Å; L256-I284 WeakPolarHBondContact O-CG1 3.17Å; L256-S285 PolarHBondContact O-N 3.16Å
257W98.9Very high98.4Very high56 Ų5644.7 Ų44.721%0.21224%0.235CC..EExtended strand (participates in β ladder)trans-106.9112.6-178.2-59.681.5000109.6L227 S228 V229 G230 W314L227-W257 PolarHBondContact O-N 2.83Å; S228-W257 WeakPolarHBondContact OG-CB 3.16Å; V229-W257 PolarHBondContact N-O 3.03Å; G230-W257 PolarHBondContact N-O 2.8Å; W257-W314 HydrophobicContact CH2-CE3 4.24Å; W257-W314 AromaticContact CH2-CH2 3.64Å; W257-W314 HydrophobicContact CH2-CH2 3.64Å; W257-W314 HydrophobicContact CH2-CZ2 4.13Å; W257-W314 AromaticContact CH2-CZ3 3.7Å; W257-W314 HydrophobicContact CH2-CZ3 3.7Å; W257-W314 AromaticContact CZ3-CE3 3.92Å; W257-W314 HydrophobicContact CZ3-CE3 3.92Å; W257-W314 HydrophobicContact CZ3-CH2 4.07Å; W257-W314 AromaticContact CZ3-CZ3 3.61Å; W257-W314 HydrophobicContact CZ3-CZ3 3.61Å
258L98.9Very high98.4Very high0 Ų043 Ų430%023%0.226CC..  trans-130.933-176.2-65.3170000110.2V229 I234 L239 L242 L256 C261 L263 L271 S285 L286 N289V229-L258 HydrophobicContact CG2-CD2 3.46Å; V229-L258 VanDerWaalsContact CG2-CD2 3.46Å; I234-L258 HydrophobicContact CD1-CD2 3.91Å; L239-L258 HydrophobicContact CD1-CD1 3.85Å; L242-L258 HydrophobicContact CD1-CD2 4.12Å; L256-L258 HydrophobicContact CD1-CD1 4.25Å; L256-L258 HydrophobicContact CD1-CD2 4.34Å; L256-L258 HydrophobicContact CD1-CG 4.08Å; L256-L258 HydrophobicContact CD2-CD1 3.74Å; L256-L258 HydrophobicContact CD2-CG 4.41Å; L256-L258 HydrophobicContact CG-CD1 3.8Å; L256-L258 HydrophobicContact CG-CG 3.92Å; L258-C261 VanDerWaalsContact C-SG 3.5Å; L258-C261 WeakPolarHBondContact O-CB 3.07Å; L258-C261 PolarHBondContact O-SG 2.84Å; L258-L263 HydrophobicContact CB-CD1 4.14Å; L258-L271 HydrophobicContact CD1-CD1 4.47Å; L258-L271 HydrophobicContact CD1-CD2 4Å; L258-S285 CarbonylContact C-O 3.39Å; L258-S285 WeakPolarHBondContact CA-O 3.36Å; L258-S285 PolarHBondContact N-O 2.95Å; L258-L286 HydrophobicContact CB-CD2 3.92Å; L258-L286 HydrophobicContact CD1-CD2 4.13Å; L258-N289 PolarHBondContact O-ND2 2.53Å
259W98.9Very high98.3Very high68 Ų6846.9 Ų46.926%0.25824%0.242SC..SBendtrans-69.5146.1176.560.8-89000110.5E202 G230 D231 C261 I287E202-W259 HydrophobicContact CB-CZ2 4.29Å; E202-W259 HydrophobicContact CG-CZ2 4.29Å; E202-W259 PolarHBondContact OE1-NE1 2.9Å; G230-W259 CarbonylContact C-O 3.43Å; G230-W259 WeakPolarHBondContact CA-O 3.46Å; D231-W259 HydrophobicContact CB-CE3 4.31Å; D231-W259 HydrophobicContact CB-CH2 3.52Å; D231-W259 HydrophobicContact CB-CZ2 4.2Å; D231-W259 HydrophobicContact CB-CZ3 3.59Å; D231-W259 PolarHBondContact N-O 2.89Å; W259-C261 PolarHBondContact O-N 3.3Å; W259-C261 PolarHBondContact O-SG 3.48Å; W259-C261 VanDerWaalsContact O-SG 3.37Å; W259-I287 CarbonylContact C-O 3.37Å; W259-I287 WeakPolarHBondContact CA-O 3.35Å; W259-I287 HydrophobicContact CB-CB 3.93Å; W259-I287 WeakPolarHBondContact CB-O 3.42Å
260D98.8Very high98.2Very high49 Ų4944 Ų4426%0.26222%0.222SC..SBendtrans42.760.9-176.7-168.38.9000113.1D231 N232 I287 D288D231-D260 WeakPolarHBondContact CA-O 3.37Å; D231-D260 PolarHBondContact N-O 3.17Å; N232-D260 PolarHBondContact N-O 2.96Å; D260-I287 PolarHBondContact N-O 3.12Å; D260-D288 WeakPolarHBondContact CA-O 3.45Å; D260-D288 HydrophobicContact CB-CB 4.31Å
261C98.8Very high98.3Very high0 Ų040 Ų400%020%0.2CC..SBendtrans-113.713.7-174.5-83.40000113.5V229 N232 I234 G235 L258 W259 L263 N289V229-C261 PolarHBondContact O-SG 3.12Å; N232-C261 CarbonylContact O-C 3.15Å; N232-C261 VanDerWaalsContact O-CA 3.23Å; N232-C261 WeakPolarHBondContact O-CA 2.78Å; I234-C261 HydrophobicContact CD1-CB 4.02Å; I234-C261 HydrophobicContact CG1-CB 3.78Å; G235-C261 WeakPolarHBondContact CA-O 3.4Å; G235-C261 PolarHBondContact N-O 2.74Å; L258-C261 VanDerWaalsContact C-SG 3.5Å; L258-C261 WeakPolarHBondContact O-CB 3.07Å; L258-C261 PolarHBondContact O-SG 2.84Å; W259-C261 PolarHBondContact O-N 3.3Å; W259-C261 PolarHBondContact O-SG 3.48Å; W259-C261 VanDerWaalsContact O-SG 3.37Å; C261-L263 HydrophobicContact CB-CD1 3.98Å; C261-L263 HydrophobicContact CB-CD2 4.07Å; C261-L263 HydrophobicContact CB-CG 3.65Å; C261-L263 PolarHBondContact O-N 2.99Å; C261-N289 PolarHBondContact N-OD1 3.28Å
262D98.6Very high98.3Very high88 Ų8840.6 Ų40.647%0.47120%0.204SC..  trans53.631.9-171-74.8-38.2000113.2K233 N289K233-D262 VanDerWaalsContact CB-OD2 3.3Å; K233-D262 WeakPolarHBondContact CB-OD2 3.36Å; K233-D262 WeakPolarHBondContact CG-OD2 3.42Å; D262-N289 PolarHBondContact N-OD1 2.86Å
263L98.8Very high98.3Very high1 Ų141.7 Ų41.71%0.00521%0.206CC..  trans-79.8146.1-179.1-51.9176.9000111.4I234 L239 L258 C261 L286 N289 N290 L291I234-L263 HydrophobicContact CD1-CD2 4.36Å; I234-L263 HydrophobicContact CG1-CD2 4.22Å; L239-L263 HydrophobicContact CB-CD2 3.75Å; L239-L263 HydrophobicContact CD2-CD1 3.99Å; L239-L263 HydrophobicContact CD2-CD2 3.75Å; L239-L263 HydrophobicContact CD2-CG 4.36Å; L239-L263 HydrophobicContact CG-CD2 4.31Å; L258-L263 HydrophobicContact CB-CD1 4.14Å; C261-L263 HydrophobicContact CB-CD1 3.98Å; C261-L263 HydrophobicContact CB-CD2 4.07Å; C261-L263 HydrophobicContact CB-CG 3.65Å; C261-L263 PolarHBondContact O-N 2.99Å; L263-L286 HydrophobicContact CD1-CD2 4.01Å; L263-N289 HydrophobicContact CB-CB 3.97Å; L263-N289 VanDerWaalsContact CB-OD1 3.22Å; L263-N289 WeakPolarHBondContact CB-OD1 3.35Å; L263-N289 VanDerWaalsContact CG-OD1 3.24Å; L263-N289 WeakPolarHBondContact CG-OD1 3.23Å; L263-N289 PolarHBondContact N-OD1 3.31Å; L263-N290 CarbonylContact O-C 3.55Å; L263-N290 PolarHBondContact O-N 2.98Å; L263-L291 HydrophobicContact CB-CD2 4.07Å
264T98.7Very high98.3Very high47 Ų4741.7 Ų41.729%0.28821%0.206SC..BIsolated β-bridgetrans-122-179.2174.884.60000111.4D236 A266 G267D236-T264 PolarHBondContact OD1-N 3.48Å; D236-T264 WeakPolarHBondContact OD2-CB 3.46Å; D236-T264 PolarHBondContact OD2-OG1 3Å; T264-A266 PolarHBondContact O-N 3.31Å; T264-A266 VanDerWaalsContact O-N 3.1Å; T264-A266 PolarHBondContact OG1-N 2.98Å; T264-G267 PolarHBondContact O-N 3.35Å; T264-G267 VanDerWaalsContact O-N 3.13Å
265S98.1Very high98.3Very high35 Ų3538.1 Ų38.125%0.24519%0.189CC..THydrogen-bonded Turntrans-56.6-23.8173.563.20000113.8C268 L291 S294 M298S265-C268 WeakPolarHBondContact O-CB 3.41Å; S265-C268 PolarHBondContact O-N 3.22Å; S265-L291 WeakPolarHBondContact CB-O 3.49Å; S265-S294 WeakPolarHBondContact CB-OG 3.28Å; S265-S294 PolarHBondContact OG-OG 2.76Å; S265-M298 WeakPolarHBondContact O-CE 3.39Å
266A97.9Very high98.3Very high58 Ų5836.3 Ų36.348%0.47919%0.185SC..THydrogen-bonded Turntrans-66.1-41.7177.300000111.6T264 C268 K269T264-A266 PolarHBondContact O-N 3.31Å; T264-A266 VanDerWaalsContact O-N 3.1Å; T264-A266 PolarHBondContact OG1-N 2.98Å; A266-C268 VanDerWaalsContact C-N 3.28Å; A266-C268 PolarHBondContact O-N 3.44Å; A266-K269 PolarHBondContact O-N 3.1Å
267G97Very high98.2Very high1 Ų139.4 Ų39.41%0.0120%0.204CC..THydrogen-bonded Turntrans-63.7-29.8175.400000113.7D236 T264 K269 D270 L271D236-G267 VanDerWaalsContact OD1-CA 3.31Å; D236-G267 WeakPolarHBondContact OD1-CA 3.46Å; D236-G267 PolarHBondContact OD1-N 3.09Å; T264-G267 PolarHBondContact O-N 3.35Å; T264-G267 VanDerWaalsContact O-N 3.13Å; G267-K269 PolarHBondContact O-N 3.43Å; G267-K269 VanDerWaalsContact O-N 3.1Å; G267-D270 PolarHBondContact O-N 3.02Å; G267-L271 PolarHBondContact O-N 3.3Å
268C98.3Very high98.2Very high1 Ų137.6 Ų37.61%0.00720%0.197CC..Hα-helixtrans-59.5-24.8178.2-65.40000113.3S265 A266 S272 G295 M298 L299S265-C268 WeakPolarHBondContact O-CB 3.41Å; S265-C268 PolarHBondContact O-N 3.22Å; A266-C268 VanDerWaalsContact C-N 3.28Å; A266-C268 PolarHBondContact O-N 3.44Å; C268-S272 WeakPolarHBondContact O-CB 3.49Å; C268-S272 PolarHBondContact O-N 3.03Å; C268-S272 PolarHBondContact O-OG 2.67Å; C268-G295 WeakPolarHBondContact SG-CA 3.25Å; C268-M298 HydrophobicContact CB-CB 4.26Å; C268-M298 HydrophobicContact CB-SD 4.32Å; C268-L299 HydrophobicContact CB-CD2 4.4Å; C268-L299 HydrophobicContact CB-CG 4.45Å
269K96.5Very high98.2Very high154 Ų15441.9 Ų41.967%0.6722%0.217SC*.Hα-helixtrans-62.9-44.6174.9-177.9-177.6175.4-175.30111.8A266 G267 R273 M298A266-K269 PolarHBondContact O-N 3.1Å; G267-K269 PolarHBondContact O-N 3.43Å; G267-K269 VanDerWaalsContact O-N 3.1Å; K269-R273 PolarHBondContact O-N 2.85Å; K269-M298 HydrophobicContact CB-SD 4.16Å
270D96.3Very high98.1Very high35 Ų3540.7 Ų40.719%0.18722%0.218CC..Hα-helixtrans-73-41.4179.8-79.5-53.9000111.4C243 G267 S272 R273 V274C243-D270 HydrophobicContact CB-CB 4.08Å; G267-D270 PolarHBondContact O-N 3.02Å; D270-S272 PolarHBondContact O-N 3.35Å; D270-R273 WeakPolarHBondContact O-CB 3.2Å; D270-R273 PolarHBondContact O-N 3.42Å; D270-R273 IonicContact OD1-CZ 2.95Å; D270-R273 IonicContact OD1-NE 3.87Å; D270-R273 IonicContact OD1-NH2 2.79Å; D270-R273 PolarHBondContact OD1-NH2 2.67Å; D270-V274 PolarHBondContact O-N 3.44Å; D270-V274 VanDerWaalsContact O-N 3.14Å
271L98.2Very high98.1Very high1 Ų138.5 Ų38.51%0.00521%0.206CC..Hα-helixtrans-62.2-40.6173.6-80171.7000112.9L239 L256 L258 G267 R273 V274 I275 I284 L286 L299L239-L271 HydrophobicContact CD1-CD1 4.19Å; L239-L271 HydrophobicContact CD1-CD2 3.88Å; L239-L271 HydrophobicContact CD1-CG 3.87Å; L239-L271 HydrophobicContact CD2-CD1 3.64Å; L239-L271 HydrophobicContact CD2-CG 3.79Å; L239-L271 HydrophobicContact CG-CG 4.26Å; L256-L271 HydrophobicContact CD2-CD2 4.38Å; L258-L271 HydrophobicContact CD1-CD1 4.47Å; L258-L271 HydrophobicContact CD1-CD2 4Å; G267-L271 PolarHBondContact O-N 3.3Å; L271-R273 PolarHBondContact O-N 2.96Å; L271-V274 WeakPolarHBondContact O-CA 3.5Å; L271-V274 WeakPolarHBondContact O-CB 3.48Å; L271-V274 PolarHBondContact O-N 3.21Å; L271-I275 WeakPolarHBondContact O-CG1 3.42Å; L271-I275 PolarHBondContact O-N 3.06Å; L271-I284 HydrophobicContact CD2-CD1 3.92Å; L271-L286 HydrophobicContact CD1-CD1 4.16Å; L271-L286 HydrophobicContact CD1-CD2 3.59Å; L271-L299 HydrophobicContact CB-CD2 4.19Å
272S98.6Very high98.1Very high14 Ų1439.8 Ų39.810%0.09821%0.213CC..Hα-helixtrans-58-37.6175.9-680000111.8C268 D270 S276 M298 A302C268-S272 WeakPolarHBondContact O-CB 3.49Å; C268-S272 PolarHBondContact O-N 3.03Å; C268-S272 PolarHBondContact O-OG 2.67Å; D270-S272 PolarHBondContact O-N 3.35Å; S272-S276 WeakPolarHBondContact O-CB 3.2Å; S272-S276 PolarHBondContact O-N 3Å; S272-S276 VanDerWaalsContact O-N 3.07Å; S272-S276 PolarHBondContact O-OG 3.02Å; S272-M298 VanDerWaalsContact OG-C 3.22Å; S272-M298 PolarHBondContact OG-O 2.81Å; S272-A302 VanDerWaalsContact O-CB 3.31Å; S272-A302 WeakPolarHBondContact O-CB 3.4Å
273R98.5Very high98.2Very high120 Ų12037 Ų3745%0.45320%0.197SC..Hα-helixtrans-67.3-38.4174-179.217453.7150.9-1.6111.7L247 K269 D270 L271 S276 T277L247-R273 HydrophobicContact CD1-CG 3.95Å; L247-R273 HydrophobicContact CD2-CG 4.12Å; K269-R273 PolarHBondContact O-N 2.85Å; D270-R273 WeakPolarHBondContact O-CB 3.2Å; D270-R273 PolarHBondContact O-N 3.42Å; D270-R273 IonicContact OD1-CZ 2.95Å; D270-R273 IonicContact OD1-NE 3.87Å; D270-R273 IonicContact OD1-NH2 2.79Å; D270-R273 PolarHBondContact OD1-NH2 2.67Å; L271-R273 PolarHBondContact O-N 2.96Å; R273-S276 PolarHBondContact O-OG 3.33Å; R273-T277 WeakPolarHBondContact O-CB 3.46Å; R273-T277 PolarHBondContact O-N 3.27Å; R273-T277 PolarHBondContact O-OG1 3.32Å
274V98.8Very high98.2Very high0 Ų037.1 Ų37.10%020%0.197CC..Hα-helixtrans-62.3-52.7174177.30000110.3C243 L246 L247 D270 L271 S276 T277 K278 L281C243-V274 HydrophobicContact CB-CG2 4.16Å; L246-V274 HydrophobicContact CB-CG1 4.14Å; L246-V274 HydrophobicContact CB-CG2 3.99Å; L246-V274 HydrophobicContact CD1-CG1 4.42Å; L246-V274 HydrophobicContact CD1-CG2 4.18Å; L247-V274 HydrophobicContact CD2-CG2 4.1Å; L247-V274 HydrophobicContact CG-CG2 4.02Å; D270-V274 PolarHBondContact O-N 3.44Å; D270-V274 VanDerWaalsContact O-N 3.14Å; L271-V274 WeakPolarHBondContact O-CA 3.5Å; L271-V274 WeakPolarHBondContact O-CB 3.48Å; L271-V274 PolarHBondContact O-N 3.21Å; V274-S276 VanDerWaalsContact C-N 3.32Å; V274-S276 PolarHBondContact O-N 3.19Å; V274-T277 PolarHBondContact O-N 3.39Å; V274-K278 HydrophobicContact CG1-CB 4.3Å; V274-K278 HydrophobicContact CG1-CG 3.99Å; V274-K278 WeakPolarHBondContact O-CB 3.5Å; V274-K278 PolarHBondContact O-N 2.82Å; V274-L281 HydrophobicContact CG1-CD2 4.12Å
275I98.6Very high98.2Very high5 Ų535 Ų353%0.02619%0.185CC..Hα-helixtrans-57-42.9-178.4-68.6167.3000111.9L271 T277 L281 L299 A302 L303 A308L271-I275 WeakPolarHBondContact O-CG1 3.42Å; L271-I275 PolarHBondContact O-N 3.06Å; I275-T277 VanDerWaalsContact C-N 3.28Å; I275-T277 PolarHBondContact O-N 3.08Å; I275-L281 HydrophobicContact CG1-CD2 4.2Å; I275-L299 HydrophobicContact CD1-CD2 3.74Å; I275-A302 HydrophobicContact CB-CB 4.14Å; I275-A302 HydrophobicContact CG2-CB 4.01Å; I275-L303 HydrophobicContact CG2-CD2 4.02Å; I275-A308 HydrophobicContact CG2-CB 3.95Å
276S98.1Very high98.2Very high28 Ų2833.3 Ų33.320%0.19617%0.173CC..THydrogen-bonded Turntrans-79.2-5.4179.353.20000114.6S272 R273 V274S272-S276 WeakPolarHBondContact O-CB 3.2Å; S272-S276 PolarHBondContact O-N 3Å; S272-S276 VanDerWaalsContact O-N 3.07Å; S272-S276 PolarHBondContact O-OG 3.02Å; R273-S276 PolarHBondContact O-OG 3.33Å; V274-S276 VanDerWaalsContact C-N 3.32Å; V274-S276 PolarHBondContact O-N 3.19Å
277T98.1Very high98.3Very high67 Ų6731.6 Ų31.641%0.41116%0.155SC..THydrogen-bonded Turntrans-115.2-32.2-178-56.40000112.9L247 R273 V274 I275L247-T277 HydrophobicContact CD2-CG2 4.05Å; R273-T277 WeakPolarHBondContact O-CB 3.46Å; R273-T277 PolarHBondContact O-N 3.27Å; R273-T277 PolarHBondContact O-OG1 3.32Å; V274-T277 PolarHBondContact O-N 3.39Å; I275-T277 VanDerWaalsContact C-N 3.28Å; I275-T277 PolarHBondContact O-N 3.08Å
278K97.9Very high98.3Very high17 Ų1734.5 Ų34.57%0.07417%0.171CC..  trans-102.387.4-170.5-67.1-74149.9151.60110.9L246 L247 H248 V274 T280 L281L246-K278 VanDerWaalsContact O-CD 3.3Å; L246-K278 WeakPolarHBondContact O-CD 3.22Å; L246-K278 WeakPolarHBondContact O-CE 3.46Å; L246-K278 PolarHBondContact O-NZ 3.47Å; L247-K278 PolarHBondContact O-NZ 3.03Å; H248-K278 PolarHBondContact O-NZ 3.39Å; V274-K278 HydrophobicContact CG1-CB 4.3Å; V274-K278 HydrophobicContact CG1-CG 3.99Å; V274-K278 WeakPolarHBondContact O-CB 3.5Å; V274-K278 PolarHBondContact O-N 2.82Å; K278-T280 PolarHBondContact O-N 2.99Å; K278-T280 VanDerWaalsContact O-N 3.07Å; K278-L281 HydrophobicContact CB-CB 4.17Å; K278-L281 WeakPolarHBondContact O-CB 3.18Å; K278-L281 PolarHBondContact O-N 2.82Å
279E98.1Very high98.4Very high90 Ų9034.6 Ų34.642%0.42117%0.171SC..THydrogen-bonded Turntrans-58.6-19172.8-65.6167.1-140.300112.4K307 E309E279-K307 HydrophobicContact CG-CB 3.89Å; E279-K307 HydrophobicContact CG-CG 4.39Å; E279-K307 VanDerWaalsContact CG-O 3.32Å; E279-K307 WeakPolarHBondContact CG-O 3.32Å; E279-E309 HydrophobicContact CB-CG 4.23Å; E279-E309 HydrophobicContact CG-CG 4.38Å
280T98.6Very high98.5Very high44 Ų4430.9 Ų30.927%0.2716%0.159SC..THydrogen-bonded Turntrans-78.2-19.4175.461.90000113.8K252 I253 Q254 K278 I282K252-T280 HydrophobicContact CB-CG2 4.44Å; K252-T280 HydrophobicContact CD-CG2 4.06Å; I253-T280 CarbonylContact O-C 3.42Å; I253-T280 WeakPolarHBondContact O-CB 3.07Å; I253-T280 VanDerWaalsContact O-O 3.06Å; I253-T280 PolarHBondContact O-OG1 3.3Å; Q254-T280 VanDerWaalsContact CA-O 3.3Å; Q254-T280 WeakPolarHBondContact CA-O 3.24Å; Q254-T280 WeakPolarHBondContact CG-O 3.29Å; K278-T280 PolarHBondContact O-N 2.99Å; K278-T280 VanDerWaalsContact O-N 3.07Å; T280-I282 WeakPolarHBondContact O-CG1 3.28Å; T280-I282 PolarHBondContact O-N 2.7Å
281L98.8Very high98.6Very high2 Ų229.3 Ų29.31%0.0115%0.15CC..  trans-76.2114.4-176.1-178.268.8000109.6I253 L256 V274 I275 K278 L310I253-L281 HydrophobicContact CG2-CD1 4.27Å; I253-L281 PolarHBondContact O-N 3.39Å; L256-L281 HydrophobicContact CB-CD1 3.91Å; V274-L281 HydrophobicContact CG1-CD2 4.12Å; I275-L281 HydrophobicContact CG1-CD2 4.2Å; K278-L281 HydrophobicContact CB-CB 4.17Å; K278-L281 WeakPolarHBondContact O-CB 3.18Å; K278-L281 PolarHBondContact O-N 2.82Å; L281-L310 HydrophobicContact CD2-CD1 4.28Å; L281-L310 HydrophobicContact CG-CD1 3.98Å; L281-L310 WeakPolarHBondContact O-CA 3.29Å
282I98.8Very high98.6Very high28 Ų2835.6 Ų35.614%0.14417%0.174CC..  trans-105.5-40.7-173.8-55.2-48.9000111.4Q254 T280 L310 Q311 E312Q254-I282 HydrophobicContact CB-CG1 4.26Å; Q254-I282 PolarHBondContact O-N 3.11Å; T280-I282 WeakPolarHBondContact O-CG1 3.28Å; T280-I282 PolarHBondContact O-N 2.7Å; I282-L310 WeakPolarHBondContact O-CD1 3.47Å; I282-Q311 HydrophobicContact CG2-CB 3.79Å; I282-Q311 HydrophobicContact CG2-CG 3.82Å; I282-Q311 PolarHBondContact O-N 2.96Å; I282-E312 PolarHBondContact O-N 3.24Å
283E98.9Very high98.6Very high30 Ų3036.4 Ų36.414%0.1418%0.177CC..EExtended strand (participates in β ladder)trans-129.1131.5-173.4-59.3169.5-146.800109.7Q254 K255 L256 E312Q254-E283 PolarHBondContact O-N 3.35Å; K255-E283 WeakPolarHBondContact CA-O 3.25Å; K255-E283 HydrophobicContact CB-CB 4.43Å; K255-E283 WeakPolarHBondContact CD-OE2 3.27Å; K255-E283 VanDerWaalsContact CE-OE1 3.3Å; K255-E283 WeakPolarHBondContact CE-OE1 3.47Å; K255-E283 WeakPolarHBondContact CE-OE2 3.3Å; K255-E283 HydrophobicContact CG-CB 4.16Å; K255-E283 HydrophobicContact CG-CG 4.39Å; K255-E283 IonicContact NZ-OE1 3.08Å; K255-E283 PolarHBondContact NZ-OE1 3.2Å; K255-E283 IonicContact NZ-OE2 3.67Å; K255-E283 PolarHBondContact NZ-OE2 2.86Å; L256-E283 PolarHBondContact N-O 2.83Å; E283-E312 HydrophobicContact CB-CB 4.35Å; E283-E312 HydrophobicContact CG-CB 4.01Å; E283-E312 HydrophobicContact CG-CG 3.94Å
284I98.8Very high98.6Very high2 Ų233 Ų331%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-135.7130.5171.2-164.7176.5000110.8L256 L271 L286 L310 E312 L313 W314L256-I284 HydrophobicContact CB-CG1 4.33Å; L256-I284 HydrophobicContact CD2-CD1 4.28Å; L256-I284 VanDerWaalsContact O-CA 3.31Å; L256-I284 WeakPolarHBondContact O-CA 3.14Å; L256-I284 WeakPolarHBondContact O-CG1 3.17Å; L271-I284 HydrophobicContact CD2-CD1 3.92Å; I284-L286 HydrophobicContact CD1-CD1 4.21Å; I284-L286 HydrophobicContact CD1-CD2 4.16Å; I284-L286 HydrophobicContact CD1-CG 4.17Å; I284-L286 HydrophobicContact CG1-CD2 4.38Å; I284-L286 HydrophobicContact CG1-CG 4.18Å; I284-L310 HydrophobicContact CB-CD1 4.19Å; I284-L310 HydrophobicContact CG2-CD1 3.87Å; I284-L310 HydrophobicContact CG2-CD2 3.75Å; I284-L310 HydrophobicContact CG2-CG 4.45Å; I284-E312 PolarHBondContact N-O 2.99Å; I284-L313 HydrophobicContact CG2-CD1 3.44Å; I284-L313 VanDerWaalsContact CG2-CD1 3.44Å; I284-W314 PolarHBondContact O-N 3.08Å
285S98.9Very high98.6Very high3 Ų333 Ų332%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-109.9125.9169.6-177.50000110.6L256 L258L256-S285 PolarHBondContact O-N 3.16Å; L258-S285 CarbonylContact C-O 3.39Å; L258-S285 WeakPolarHBondContact CA-O 3.36Å; L258-S285 PolarHBondContact N-O 2.95Å
286L98.9Very high98.6Very high0 Ų032.9 Ų32.90%017%0.171CC..  trans-126.819.9176.1-60.5170.2000110.6L258 L263 L271 I284 N289 L291 L299 W314 I315 C318L258-L286 HydrophobicContact CB-CD2 3.92Å; L258-L286 HydrophobicContact CD1-CD2 4.13Å; L263-L286 HydrophobicContact CD1-CD2 4.01Å; L271-L286 HydrophobicContact CD1-CD1 4.16Å; L271-L286 HydrophobicContact CD1-CD2 3.59Å; I284-L286 HydrophobicContact CD1-CD1 4.21Å; I284-L286 HydrophobicContact CD1-CD2 4.16Å; I284-L286 HydrophobicContact CD1-CG 4.17Å; I284-L286 HydrophobicContact CG1-CD2 4.38Å; I284-L286 HydrophobicContact CG1-CG 4.18Å; L286-N289 WeakPolarHBondContact O-CB 3.03Å; L286-N289 PolarHBondContact O-N 3.32Å; L286-N289 PolarHBondContact O-ND2 3.38Å; L286-L291 HydrophobicContact CB-CD1 4.05Å; L286-L291 HydrophobicContact CD1-CD1 3.97Å; L286-L299 HydrophobicContact CD1-CD1 3.75Å; L286-W314 PolarHBondContact N-O 3.14Å; L286-I315 HydrophobicContact CB-CG2 4.21Å; L286-I315 HydrophobicContact CD1-CG2 4.37Å; L286-C318 PolarHBondContact O-SG 2.74Å
287I98.9Very high98.7Very high21 Ų2136.2 Ų36.211%0.10818%0.183CC..  trans-51.1144.2-179-66.1179.3000110.5W259 D260 N289 W314 R316W259-I287 CarbonylContact C-O 3.37Å; W259-I287 WeakPolarHBondContact CA-O 3.35Å; W259-I287 HydrophobicContact CB-CB 3.93Å; W259-I287 WeakPolarHBondContact CB-O 3.42Å; D260-I287 PolarHBondContact N-O 3.12Å; I287-N289 VanDerWaalsContact C-N 3.33Å; I287-N289 PolarHBondContact O-N 3.26Å; I287-N289 PolarHBondContact O-ND2 3.2Å; I287-N289 VanDerWaalsContact O-ND2 3.11Å; I287-W314 HydrophobicContact CD1-CB 4Å; I287-W314 HydrophobicContact CD1-CE3 3.8Å; I287-W314 HydrophobicContact CG1-CB 3.95Å; I287-W314 PolarHBondContact N-O 3.35Å; I287-R316 CarbonylContact C-O 3.58Å; I287-R316 VanDerWaalsContact CA-O 3.28Å; I287-R316 WeakPolarHBondContact CA-O 3.43Å; I287-R316 HydrophobicContact CB-CB 4.48Å; I287-R316 HydrophobicContact CD1-CB 4.12Å; I287-R316 HydrophobicContact CG1-CB 3.87Å; I287-R316 HydrophobicContact CG2-CB 4.08Å
288D98.7Very high98.7Very high63 Ų6336.3 Ų36.334%0.33718%0.18SC..SBendtrans55.146.8176.3-164.416.5000112.8D260 R316 E317D260-D288 WeakPolarHBondContact CA-O 3.45Å; D260-D288 HydrophobicContact CB-CB 4.31Å; D288-R316 PolarHBondContact N-O 2.83Å; D288-E317 WeakPolarHBondContact CA-O 3.42Å
289N98.8Very high98.7Very high3 Ų335.5 Ų35.52%0.01618%0.176CC..  trans-124.5142.7169.9-74.3-83.1000110L258 C261 D262 L263 L286 I287 L291 C318L258-N289 PolarHBondContact O-ND2 2.53Å; C261-N289 PolarHBondContact N-OD1 3.28Å; D262-N289 PolarHBondContact N-OD1 2.86Å; L263-N289 HydrophobicContact CB-CB 3.97Å; L263-N289 VanDerWaalsContact CB-OD1 3.22Å; L263-N289 WeakPolarHBondContact CB-OD1 3.35Å; L263-N289 VanDerWaalsContact CG-OD1 3.24Å; L263-N289 WeakPolarHBondContact CG-OD1 3.23Å; L263-N289 PolarHBondContact N-OD1 3.31Å; L286-N289 WeakPolarHBondContact O-CB 3.03Å; L286-N289 PolarHBondContact O-N 3.32Å; L286-N289 PolarHBondContact O-ND2 3.38Å; I287-N289 VanDerWaalsContact C-N 3.33Å; I287-N289 PolarHBondContact O-N 3.26Å; I287-N289 PolarHBondContact O-ND2 3.2Å; I287-N289 VanDerWaalsContact O-ND2 3.11Å; N289-L291 HydrophobicContact CB-CD2 3.67Å; N289-L291 HydrophobicContact CB-CG 3.99Å; N289-L291 PolarHBondContact O-N 2.91Å; N289-C318 CarbonylContact O-C 3.47Å; N289-C318 WeakPolarHBondContact O-CA 3.31Å
290N98.4Very high98.8Very high76 Ų7631.2 Ų31.241%0.40616%0.157SC..BIsolated β-bridgetrans-80.154.7-174.5-170.135000113.1L263 R292L263-N290 CarbonylContact O-C 3.55Å; L263-N290 PolarHBondContact O-N 2.98Å; N290-R292 VanDerWaalsContact C-N 3.35Å; N290-R292 PolarHBondContact O-N 3.12Å; N290-R292 PolarHBondContact OD1-NE 3.44Å; N290-R292 PolarHBondContact OD1-NH2 3.44Å
291L98.7Very high98.8Very high2 Ų234.9 Ų34.91%0.0117%0.171CC..  trans-69.2-32.1-173.3-52.9-170.9000112.6L263 S265 L286 N289 G295 L299 C318L263-L291 HydrophobicContact CB-CD2 4.07Å; S265-L291 WeakPolarHBondContact CB-O 3.49Å; L286-L291 HydrophobicContact CB-CD1 4.05Å; L286-L291 HydrophobicContact CD1-CD1 3.97Å; N289-L291 HydrophobicContact CB-CD2 3.67Å; N289-L291 HydrophobicContact CB-CG 3.99Å; N289-L291 PolarHBondContact O-N 2.91Å; L291-G295 WeakPolarHBondContact O-CA 3.35Å; L291-G295 PolarHBondContact O-N 3.25Å; L291-G295 VanDerWaalsContact O-N 3.1Å; L291-L299 HydrophobicContact CD1-CD1 4.19Å; L291-C318 HydrophobicContact CB-CB 4.41Å; L291-C318 HydrophobicContact CD1-CB 4.35Å; L291-C318 HydrophobicContact CG-CB 4.32Å; L291-C318 PolarHBondContact N-O 2.82Å
292R98.7Very high98.8Very high133 Ų13335.2 Ų35.250%0.50217%0.174SC..Hα-helixtrans58.4175.4-175.1-54.1-71.2176.2178-11.9112.7N290 S294 G295 M296 C318 L320N290-R292 VanDerWaalsContact C-N 3.35Å; N290-R292 PolarHBondContact O-N 3.12Å; N290-R292 PolarHBondContact OD1-NE 3.44Å; N290-R292 PolarHBondContact OD1-NH2 3.44Å; R292-S294 VanDerWaalsContact C-N 3.26Å; R292-S294 PolarHBondContact O-N 2.74Å; R292-G295 PolarHBondContact O-N 2.85Å; R292-G295 VanDerWaalsContact O-N 3.13Å; R292-M296 PolarHBondContact O-N 3.39Å; R292-C318 PolarHBondContact N-O 2.78Å; R292-L320 WeakPolarHBondContact O-CD2 3.41Å
293D98.9Very high98.8Very high30 Ų3034.1 Ų34.116%0.1617%0.168CC..Hα-helixtrans-55.6-41.2177.6-62.2-49000112.6G295 M296 E297 T321 A323 C324D293-G295 VanDerWaalsContact C-N 3.32Å; D293-G295 PolarHBondContact O-N 2.87Å; D293-M296 PolarHBondContact O-N 3.12Å; D293-E297 WeakPolarHBondContact O-CG 3.33Å; D293-E297 PolarHBondContact O-N 3.04Å; D293-T321 VanDerWaalsContact CG-OG1 3.3Å; D293-T321 PolarHBondContact OD1-N 3.32Å; D293-T321 PolarHBondContact OD1-OG1 2.7Å; D293-T321 PolarHBondContact OD2-OG1 3.41Å; D293-A323 HydrophobicContact CB-CB 4.34Å; D293-C324 HydrophobicContact CB-CB 3.99Å; D293-C324 WeakPolarHBondContact OD1-CB 3.21Å; D293-C324 PolarHBondContact OD1-N 2.94Å
294S98.7Very high98.8Very high48 Ų4835.8 Ų35.834%0.33618%0.175SC..Hα-helixtrans-62.7-35.4179.557.80000113.6S265 R292 M298S265-S294 WeakPolarHBondContact CB-OG 3.28Å; S265-S294 PolarHBondContact OG-OG 2.76Å; R292-S294 VanDerWaalsContact C-N 3.26Å; R292-S294 PolarHBondContact O-N 2.74Å; S294-M298 WeakPolarHBondContact O-CG 3.5Å; S294-M298 PolarHBondContact O-N 3.1Å
295G98.8Very high98.7Very high0 Ų038.6 Ų38.60%019%0.19CC..Hα-helixtrans-68.7-46.2175.400000110.6C268 L291 R292 D293 E297 M298 L299C268-G295 WeakPolarHBondContact SG-CA 3.25Å; L291-G295 WeakPolarHBondContact O-CA 3.35Å; L291-G295 PolarHBondContact O-N 3.25Å; L291-G295 VanDerWaalsContact O-N 3.1Å; R292-G295 PolarHBondContact O-N 2.85Å; R292-G295 VanDerWaalsContact O-N 3.13Å; D293-G295 VanDerWaalsContact C-N 3.32Å; D293-G295 PolarHBondContact O-N 2.87Å; G295-E297 VanDerWaalsContact C-N 3.31Å; G295-E297 PolarHBondContact O-N 2.78Å; G295-M298 WeakPolarHBondContact O-CB 3.47Å; G295-M298 PolarHBondContact O-N 2.99Å; G295-M298 VanDerWaalsContact O-N 3.13Å; G295-L299 WeakPolarHBondContact O-CG 3.45Å; G295-L299 PolarHBondContact O-N 3.15Å; G295-L299 VanDerWaalsContact O-N 3.07Å
296M98.8Very high98.6Very high4 Ų443.8 Ų43.82%0.0222%0.223CC..Hα-helixtrans-62.1-36.9177.2-172.156.1-176.400112.8R292 D293 M298 L299 C300 L313 I315 L320 C324 V328R292-M296 PolarHBondContact O-N 3.39Å; D293-M296 PolarHBondContact O-N 3.12Å; M296-M298 VanDerWaalsContact C-N 3.34Å; M296-M298 PolarHBondContact O-N 3.06Å; M296-L299 PolarHBondContact O-N 2.93Å; M296-L299 HydrophobicContact SD-CB 4.46Å; M296-L299 HydrophobicContact SD-CD1 4.42Å; M296-C300 VanDerWaalsContact O-CB 3.32Å; M296-C300 WeakPolarHBondContact O-CB 3.44Å; M296-C300 PolarHBondContact O-N 3.23Å; M296-C300 PolarHBondContact O-SG 3.41Å; M296-L313 HydrophobicContact CE-CD2 4.1Å; M296-I315 HydrophobicContact CE-CD1 3.23Å; M296-I315 HydrophobicContact SD-CD1 3.47Å; M296-I315 WeakPolarHBondContact SD-CD1 3.37Å; M296-L320 HydrophobicContact CB-CD1 4.43Å; M296-L320 HydrophobicContact CB-CD2 3.65Å; M296-L320 HydrophobicContact CG-CD1 4.19Å; M296-L320 HydrophobicContact CG-CD2 4.31Å; M296-L320 HydrophobicContact SD-CD1 4.48Å; M296-C324 HydrophobicContact CB-CB 4.09Å; M296-C324 HydrophobicContact CG-CB 4.11Å; M296-V328 HydrophobicContact CE-CG2 3.62Å; M296-V328 HydrophobicContact CG-CG2 4.16Å
297E98.9Very high98.5Very high97 Ų9748.8 Ų48.845%0.45325%0.245SC..Hα-helixtrans-60.6-40.9173.8-76.4175-177.400112.3D293 G295 C300 Q301 A327D293-E297 WeakPolarHBondContact O-CG 3.33Å; D293-E297 PolarHBondContact O-N 3.04Å; G295-E297 VanDerWaalsContact C-N 3.31Å; G295-E297 PolarHBondContact O-N 2.78Å; E297-C300 PolarHBondContact O-N 3.32Å; E297-Q301 WeakPolarHBondContact O-CB 3.5Å; E297-Q301 PolarHBondContact O-N 3.06Å; E297-A327 HydrophobicContact CG-CB 3.93Å
298M98.9Very high98.4Very high69 Ų6947.8 Ų47.834%0.3424%0.24SC..Hα-helixtrans-64.9-46.2175.3-66-175.9-134.400111.5S265 C268 K269 S272 S294 G295 M296 C300 Q301 A302S265-M298 WeakPolarHBondContact O-CE 3.39Å; C268-M298 HydrophobicContact CB-CB 4.26Å; C268-M298 HydrophobicContact CB-SD 4.32Å; K269-M298 HydrophobicContact CB-SD 4.16Å; S272-M298 VanDerWaalsContact OG-C 3.22Å; S272-M298 PolarHBondContact OG-O 2.81Å; S294-M298 WeakPolarHBondContact O-CG 3.5Å; S294-M298 PolarHBondContact O-N 3.1Å; G295-M298 WeakPolarHBondContact O-CB 3.47Å; G295-M298 PolarHBondContact O-N 2.99Å; G295-M298 VanDerWaalsContact O-N 3.13Å; M296-M298 VanDerWaalsContact C-N 3.34Å; M296-M298 PolarHBondContact O-N 3.06Å; M298-C300 PolarHBondContact O-N 2.96Å; M298-Q301 WeakPolarHBondContact O-CB 3.46Å; M298-Q301 PolarHBondContact O-N 3.17Å; M298-Q301 VanDerWaalsContact O-N 3.15Å; M298-A302 PolarHBondContact O-N 3.23Å
299L98.9Very high98.4Very high0 Ų048.1 Ų48.10%024%0.24CC..Hα-helixtrans-61.1-44.9176.8-61.5178.8000111.1C268 L271 I275 L286 L291 G295 M296 Q301 A302 L303C268-L299 HydrophobicContact CB-CD2 4.4Å; C268-L299 HydrophobicContact CB-CG 4.45Å; L271-L299 HydrophobicContact CB-CD2 4.19Å; I275-L299 HydrophobicContact CD1-CD2 3.74Å; L286-L299 HydrophobicContact CD1-CD1 3.75Å; L291-L299 HydrophobicContact CD1-CD1 4.19Å; G295-L299 WeakPolarHBondContact O-CG 3.45Å; G295-L299 PolarHBondContact O-N 3.15Å; G295-L299 VanDerWaalsContact O-N 3.07Å; M296-L299 PolarHBondContact O-N 2.93Å; M296-L299 HydrophobicContact SD-CB 4.46Å; M296-L299 HydrophobicContact SD-CD1 4.42Å; L299-Q301 VanDerWaalsContact C-N 3.27Å; L299-Q301 PolarHBondContact O-N 2.97Å; L299-A302 WeakPolarHBondContact O-CB 3.44Å; L299-A302 PolarHBondContact O-N 3.06Å; L299-A302 VanDerWaalsContact O-N 3.11Å; L299-L303 WeakPolarHBondContact O-CG 3.35Å; L299-L303 PolarHBondContact O-N 3.39Å
300C98.8Very high98.4Very high1 Ų148.1 Ų48.11%0.00724%0.24CC..Hα-helixtrans-58.1-40.4174.8-73.10000111.7M296 E297 M298 L303 K304 A327 V328 A331M296-C300 VanDerWaalsContact O-CB 3.32Å; M296-C300 WeakPolarHBondContact O-CB 3.44Å; M296-C300 PolarHBondContact O-N 3.23Å; M296-C300 PolarHBondContact O-SG 3.41Å; E297-C300 PolarHBondContact O-N 3.32Å; M298-C300 PolarHBondContact O-N 2.96Å; C300-L303 PolarHBondContact O-N 3.35Å; C300-K304 WeakPolarHBondContact O-CG 3.21Å; C300-K304 PolarHBondContact O-N 2.87Å; C300-A327 HydrophobicContact CB-CB 3.9Å; C300-A327 VanDerWaalsContact SG-C 3.55Å; C300-V328 PolarHBondContact SG-N 3.16Å; C300-A331 HydrophobicContact CB-CB 4.07Å
301Q98.8Very high98.4Very high120 Ų12047.1 Ų47.156%0.56123%0.233SC*.Hα-helixtrans-66.5-37.7177.1-175.854.542.800112E297 M298 L299 K304E297-Q301 WeakPolarHBondContact O-CB 3.5Å; E297-Q301 PolarHBondContact O-N 3.06Å; M298-Q301 WeakPolarHBondContact O-CB 3.46Å; M298-Q301 PolarHBondContact O-N 3.17Å; M298-Q301 VanDerWaalsContact O-N 3.15Å; L299-Q301 VanDerWaalsContact C-N 3.27Å; L299-Q301 PolarHBondContact O-N 2.97Å; Q301-K304 PolarHBondContact O-N 2.89Å
302A98.8Very high98.4Very high9 Ų949.3 Ų49.37%0.07424%0.243CC..Hα-helixtrans-66.5-39.3174.600000112.7S272 I275 M298 L299 K304 D305 A308S272-A302 VanDerWaalsContact O-CB 3.31Å; S272-A302 WeakPolarHBondContact O-CB 3.4Å; I275-A302 HydrophobicContact CB-CB 4.14Å; I275-A302 HydrophobicContact CG2-CB 4.01Å; M298-A302 PolarHBondContact O-N 3.23Å; L299-A302 WeakPolarHBondContact O-CB 3.44Å; L299-A302 PolarHBondContact O-N 3.06Å; L299-A302 VanDerWaalsContact O-N 3.11Å; A302-K304 PolarHBondContact O-N 2.82Å; A302-K304 VanDerWaalsContact O-N 3.14Å; A302-D305 VanDerWaalsContact O-CB 3.24Å; A302-D305 WeakPolarHBondContact O-CB 3.4Å; A302-D305 PolarHBondContact O-N 2.73Å; A302-A308 WeakPolarHBondContact O-CB 3.47Å
303L98.6Very high98.4Very high5 Ų543.1 Ų43.13%0.02622%0.219CC..Hα-helixtrans-63.1-17.3177.3-71.6171.4000113.6I275 L299 C300 D305 L310 L313 A331 N335I275-L303 HydrophobicContact CG2-CD2 4.02Å; L299-L303 WeakPolarHBondContact O-CG 3.35Å; L299-L303 PolarHBondContact O-N 3.39Å; C300-L303 PolarHBondContact O-N 3.35Å; L303-D305 VanDerWaalsContact C-N 3.3Å; L303-L310 HydrophobicContact CD2-CB 4.11Å; L303-L310 HydrophobicContact CD2-CD2 3.88Å; L303-L313 HydrophobicContact CD1-CD2 4.1Å; L303-A331 HydrophobicContact CB-CB 4.24Å; L303-N335 WeakPolarHBondContact O-CB 3.16Å; L303-N335 PolarHBondContact O-ND2 3.1Å
304K98.4Very high98.4Very high65 Ų6544.6 Ų44.628%0.28322%0.223SC..THydrogen-bonded Turntrans-80-13.8174-57.2-179.4-169.81710112.9C300 Q301 A302 S330 V334C300-K304 WeakPolarHBondContact O-CG 3.21Å; C300-K304 PolarHBondContact O-N 2.87Å; Q301-K304 PolarHBondContact O-N 2.89Å; A302-K304 PolarHBondContact O-N 2.82Å; A302-K304 VanDerWaalsContact O-N 3.14Å; K304-S330 VanDerWaalsContact CE-OG 3.24Å; K304-S330 WeakPolarHBondContact CE-OG 3.43Å; K304-S330 PolarHBondContact NZ-OG 3.34Å; K304-V334 HydrophobicContact CB-CG2 3.78Å; K304-V334 HydrophobicContact CD-CG2 4.24Å; K304-V334 HydrophobicContact CG-CG2 3.51Å
305D98.3Very high98.4Very high61 Ų6142.3 Ų42.333%0.32621%0.207SC..SBendtrans-66.2133.8176.5-165.4-72.1000109.5A302 L303 K307 A308A302-D305 VanDerWaalsContact O-CB 3.24Å; A302-D305 WeakPolarHBondContact O-CB 3.4Å; A302-D305 PolarHBondContact O-N 2.73Å; L303-D305 VanDerWaalsContact C-N 3.3Å; D305-K307 PolarHBondContact O-N 3.35Å; D305-K307 VanDerWaalsContact O-N 3.09Å; D305-K307 WeakPolarHBondContact OD1-CB 3.3Å; D305-K307 PolarHBondContact OD1-N 3.2Å; D305-A308 VanDerWaalsContact O-CB 3.32Å; D305-A308 WeakPolarHBondContact O-CB 2.9Å; D305-A308 PolarHBondContact O-N 3.12Å
306P96.1Very high98.4Very high112 Ų11247 Ų4773%0.72723%0.225SC*.THydrogen-bonded Turntrans-62.5-16.2-179.626-36.7000114.3
307K96Very high98.4Very high105 Ų10551.1 Ų51.146%0.45724%0.244SC..THydrogen-bonded Turntrans-87.2-8.4174.3-63.2-175.8175-174.30113.8E279 D305 E309E279-K307 HydrophobicContact CG-CB 3.89Å; E279-K307 HydrophobicContact CG-CG 4.39Å; E279-K307 VanDerWaalsContact CG-O 3.32Å; E279-K307 WeakPolarHBondContact CG-O 3.32Å; D305-K307 PolarHBondContact O-N 3.35Å; D305-K307 VanDerWaalsContact O-N 3.09Å; D305-K307 WeakPolarHBondContact OD1-CB 3.3Å; D305-K307 PolarHBondContact OD1-N 3.2Å; K307-E309 PolarHBondContact O-N 3.18Å
308A97.8Very high98.4Very high0 Ų046.5 Ų46.50%022%0.222CC..  trans-75.490.6177.500000109.8I275 A302 D305 L310 N335 H337I275-A308 HydrophobicContact CG2-CB 3.95Å; A302-A308 WeakPolarHBondContact O-CB 3.47Å; D305-A308 VanDerWaalsContact O-CB 3.32Å; D305-A308 WeakPolarHBondContact O-CB 2.9Å; D305-A308 PolarHBondContact O-N 3.12Å; A308-L310 VanDerWaalsContact C-N 3.3Å; A308-N335 PolarHBondContact O-ND2 2.88Å; A308-H337 PolarHBondContact O-CD2 3.3Å
309E98.1Very high98.4Very high71 Ų7144.6 Ų44.633%0.33222%0.22SC..  trans-90.511.9178.7-57.4-153.6161.200113.8E279 K307 Q311 H337E279-E309 HydrophobicContact CB-CG 4.23Å; E279-E309 HydrophobicContact CG-CG 4.38Å; K307-E309 PolarHBondContact O-N 3.18Å; E309-Q311 WeakPolarHBondContact O-CG 3.27Å; E309-Q311 PolarHBondContact O-N 3.18Å; E309-H337 IonicContact OE1-CE1 3.28Å
310L98.7Very high98.4Very high3 Ų344.7 Ų44.72%0.01622%0.22CC..  trans-53.4128.4177.4-169.578.3000110.5L281 I282 I284 L303 A308 L313 H337 L338L281-L310 HydrophobicContact CD2-CD1 4.28Å; L281-L310 HydrophobicContact CG-CD1 3.98Å; L281-L310 WeakPolarHBondContact O-CA 3.29Å; I282-L310 WeakPolarHBondContact O-CD1 3.47Å; I284-L310 HydrophobicContact CB-CD1 4.19Å; I284-L310 HydrophobicContact CG2-CD1 3.87Å; I284-L310 HydrophobicContact CG2-CD2 3.75Å; I284-L310 HydrophobicContact CG2-CG 4.45Å; L303-L310 HydrophobicContact CD2-CB 4.11Å; L303-L310 HydrophobicContact CD2-CD2 3.88Å; A308-L310 VanDerWaalsContact C-N 3.3Å; L310-L313 HydrophobicContact CD2-CB 4.03Å; L310-L313 HydrophobicContact CD2-CD1 4.35Å; L310-H337 CarbonylContact O-C 3.41Å; L310-L338 HydrophobicContact CD2-CD1 4.32Å; L310-L338 HydrophobicContact CG-CD1 4.47Å; L310-L338 WeakPolarHBondContact O-CA 3.24Å; L310-L338 PolarHBondContact O-N 2.92Å
311Q98.9Very high98.4Very high55 Ų5547.1 Ų47.126%0.25724%0.235SC..  trans-104.2-30.2-179-60.2-175.246.500112.1I282 E309 K339 V340I282-Q311 HydrophobicContact CG2-CB 3.79Å; I282-Q311 HydrophobicContact CG2-CG 3.82Å; I282-Q311 PolarHBondContact O-N 2.96Å; E309-Q311 WeakPolarHBondContact O-CG 3.27Å; E309-Q311 PolarHBondContact O-N 3.18Å; Q311-K339 PolarHBondContact O-N 3.1Å; Q311-V340 PolarHBondContact O-N 3.46Å
312E98.9Very high98.4Very high48 Ų4843.7 Ų43.722%0.22422%0.223CC..EExtended strand (participates in β ladder)trans-131.4128.2-178.3-47.4-163.9-175.800111.9I282 E283 I284 W314 V340I282-E312 PolarHBondContact O-N 3.24Å; E283-E312 HydrophobicContact CB-CB 4.35Å; E283-E312 HydrophobicContact CG-CB 4.01Å; E283-E312 HydrophobicContact CG-CG 3.94Å; I284-E312 PolarHBondContact N-O 2.99Å; E312-W314 PolarHBondContact OE2-NE1 3.03Å; E312-V340 WeakPolarHBondContact CA-O 3.15Å; E312-V340 HydrophobicContact CB-CB 3.97Å; E312-V340 HydrophobicContact CG-CB 3.75Å; E312-V340 HydrophobicContact CG-CG2 3.84Å
313L98.9Very high98.4Very high2 Ų246 Ų461%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-127114.7176.8177.959.9000110I284 M296 L303 L310 I315 L338 V340 L341 H342I284-L313 HydrophobicContact CG2-CD1 3.44Å; I284-L313 VanDerWaalsContact CG2-CD1 3.44Å; M296-L313 HydrophobicContact CE-CD2 4.1Å; L303-L313 HydrophobicContact CD1-CD2 4.1Å; L310-L313 HydrophobicContact CD2-CB 4.03Å; L310-L313 HydrophobicContact CD2-CD1 4.35Å; L313-I315 HydrophobicContact CD1-CG2 3.65Å; L313-I315 HydrophobicContact CD2-CD1 4.01Å; L313-I315 HydrophobicContact CD2-CG2 4.37Å; L313-I315 HydrophobicContact CG-CD1 4.21Å; L313-I315 HydrophobicContact CG-CG1 4.21Å; L313-I315 HydrophobicContact CG-CG2 3.86Å; L313-L338 HydrophobicContact CB-CD1 3.98Å; L313-V340 PolarHBondContact N-O 3.4Å; L313-L341 HydrophobicContact CB-CD1 4.22Å; L313-L341 HydrophobicContact CD2-CD1 4.18Å; L313-L341 HydrophobicContact CG-CD1 4.27Å; L313-H342 PolarHBondContact O-N 2.97Å
314W98.9Very high98.4Very high61 Ų6145.8 Ų45.823%0.23124%0.241CC..EExtended strand (participates in β ladder)trans-108.7111179.2-5323.1000108.8W257 I284 L286 I287 E312 H342W257-W314 HydrophobicContact CH2-CE3 4.24Å; W257-W314 AromaticContact CH2-CH2 3.64Å; W257-W314 HydrophobicContact CH2-CH2 3.64Å; W257-W314 HydrophobicContact CH2-CZ2 4.13Å; W257-W314 AromaticContact CH2-CZ3 3.7Å; W257-W314 HydrophobicContact CH2-CZ3 3.7Å; W257-W314 AromaticContact CZ3-CE3 3.92Å; W257-W314 HydrophobicContact CZ3-CE3 3.92Å; W257-W314 HydrophobicContact CZ3-CH2 4.07Å; W257-W314 AromaticContact CZ3-CZ3 3.61Å; W257-W314 HydrophobicContact CZ3-CZ3 3.61Å; I284-W314 PolarHBondContact O-N 3.08Å; L286-W314 PolarHBondContact N-O 3.14Å; I287-W314 HydrophobicContact CD1-CB 4Å; I287-W314 HydrophobicContact CD1-CE3 3.8Å; I287-W314 HydrophobicContact CG1-CB 3.95Å; I287-W314 PolarHBondContact N-O 3.35Å; E312-W314 PolarHBondContact OE2-NE1 3.03Å; W314-H342 HydrophobicContact CB-CB 4.33Å; W314-H342 AromaticContact CD2-ND1 3.69Å; W314-H342 AromaticContact CE2-CE1 3.92Å; W314-H342 AromaticContact CE2-ND1 3.84Å; W314-H342 HydrophobicContact CG-CB 4.41Å; W314-H342 AromaticContact CG-ND1 3.94Å
315I98.6Very high98.4Very high0 Ų042.7 Ų42.70%023%0.228CC..  trans-137.536.6-17249.2172.2000110.4L286 M296 L313 C318 L320 L341 H342 I343 N346L286-I315 HydrophobicContact CB-CG2 4.21Å; L286-I315 HydrophobicContact CD1-CG2 4.37Å; M296-I315 HydrophobicContact CE-CD1 3.23Å; M296-I315 HydrophobicContact SD-CD1 3.47Å; M296-I315 WeakPolarHBondContact SD-CD1 3.37Å; L313-I315 HydrophobicContact CD1-CG2 3.65Å; L313-I315 HydrophobicContact CD2-CD1 4.01Å; L313-I315 HydrophobicContact CD2-CG2 4.37Å; L313-I315 HydrophobicContact CG-CD1 4.21Å; L313-I315 HydrophobicContact CG-CG1 4.21Å; L313-I315 HydrophobicContact CG-CG2 3.86Å; I315-C318 VanDerWaalsContact CA-SG 3.54Å; I315-C318 HydrophobicContact CB-CB 4.41Å; I315-C318 WeakPolarHBondContact O-CB 3.38Å; I315-C318 PolarHBondContact O-SG 3.1Å; I315-C318 VanDerWaalsContact O-SG 3.39Å; I315-L320 HydrophobicContact CD1-CD1 4.01Å; I315-L341 HydrophobicContact CD1-CD1 3.91Å; I315-L341 HydrophobicContact CG1-CD1 4.21Å; I315-H342 CarbonylContact C-O 3.49Å; I315-H342 VanDerWaalsContact CG1-O 3.23Å; I315-H342 WeakPolarHBondContact CG1-O 3.41Å; I315-H342 PolarHBondContact N-O 3.44Å; I315-I343 HydrophobicContact CD1-CB 4.29Å; I315-I343 HydrophobicContact CD1-CD1 3.9Å; I315-I343 HydrophobicContact CD1-CG1 3.81Å; I315-I343 HydrophobicContact CG1-CB 4.18Å; I315-I343 HydrophobicContact CG1-CG1 4.04Å; I315-N346 PolarHBondContact O-ND2 3.03Å
316R98.6Very high98.4Very high99 Ų9946.5 Ų46.537%0.37424%0.241SC..THydrogen-bonded Turntrans-63.1143.1171.2-165.6-177.478.7-161.8-5.1109.6I287 D288 C318 H342 G344 E345I287-R316 CarbonylContact C-O 3.58Å; I287-R316 VanDerWaalsContact CA-O 3.28Å; I287-R316 WeakPolarHBondContact CA-O 3.43Å; I287-R316 HydrophobicContact CB-CB 4.48Å; I287-R316 HydrophobicContact CD1-CB 4.12Å; I287-R316 HydrophobicContact CG1-CB 3.87Å; I287-R316 HydrophobicContact CG2-CB 4.08Å; D288-R316 PolarHBondContact N-O 2.83Å; R316-C318 VanDerWaalsContact C-N 3.33Å; R316-C318 PolarHBondContact O-N 3.31Å; R316-C318 PolarHBondContact O-SG 3.07Å; R316-H342 PolarHBondContact N-O 3.27Å; R316-G344 VanDerWaalsContact CA-O 3.23Å; R316-G344 WeakPolarHBondContact CA-O 3.43Å; R316-G344 VanDerWaalsContact CG-O 3.26Å; R316-G344 WeakPolarHBondContact CG-O 3.46Å; R316-E345 VanDerWaalsContact CD-CD 3.45Å; R316-E345 WeakPolarHBondContact CD-OE2 3.42Å; R316-E345 HydrophobicContact CG-CB 3.77Å; R316-E345 HydrophobicContact CG-CG 3.82Å; R316-E345 VanDerWaalsContact CG-OE2 3.3Å; R316-E345 WeakPolarHBondContact CG-OE2 3.4Å; R316-E345 IonicContact CZ-OE2 3.05Å; R316-E345 IonicContact NE-OE1 3.69Å; R316-E345 IonicContact NE-OE2 3.73Å; R316-E345 PolarHBondContact NE-OE2 3.19Å
317E98.6Very high98.5Very high91 Ų9142.1 Ų42.143%0.42522%0.215SC..THydrogen-bonded Turntrans53.845.5177.1-162.9168.6-160.400113.2D288 G344 E345D288-E317 WeakPolarHBondContact CA-O 3.42Å; E317-G344 PolarHBondContact N-O 2.83Å; E317-G344 VanDerWaalsContact N-O 3.14Å; E317-E345 WeakPolarHBondContact CA-O 3.43Å; E317-E345 HydrophobicContact CB-CB 4.08Å
318C98.8Very high98.7Very high0 Ų037.3 Ų37.30%019%0.194CC..SBendtrans-100.19.1-176-790000114.4L286 N289 L291 R292 I315 R316 L320 N346L286-C318 PolarHBondContact O-SG 2.74Å; N289-C318 CarbonylContact O-C 3.47Å; N289-C318 WeakPolarHBondContact O-CA 3.31Å; L291-C318 HydrophobicContact CB-CB 4.41Å; L291-C318 HydrophobicContact CD1-CB 4.35Å; L291-C318 HydrophobicContact CG-CB 4.32Å; L291-C318 PolarHBondContact N-O 2.82Å; R292-C318 PolarHBondContact N-O 2.78Å; I315-C318 VanDerWaalsContact CA-SG 3.54Å; I315-C318 HydrophobicContact CB-CB 4.41Å; I315-C318 WeakPolarHBondContact O-CB 3.38Å; I315-C318 PolarHBondContact O-SG 3.1Å; I315-C318 VanDerWaalsContact O-SG 3.39Å; R316-C318 VanDerWaalsContact C-N 3.33Å; R316-C318 PolarHBondContact O-N 3.31Å; R316-C318 PolarHBondContact O-SG 3.07Å; C318-L320 VanDerWaalsContact C-N 3.28Å; C318-L320 HydrophobicContact CB-CD1 4.12Å; C318-L320 HydrophobicContact CB-CD2 3.98Å; C318-L320 HydrophobicContact CB-CG 3.75Å; C318-L320 PolarHBondContact O-N 3.42Å; C318-N346 PolarHBondContact N-OD1 2.82Å
319G98.5Very high98.7Very high28 Ų2837.8 Ų37.829%0.28920%0.197SC..  trans65.330.5-174.600000113.2N346G319-N346 PolarHBondContact N-OD1 3.27Å
320L98.9Very high98.7Very high2 Ų236.7 Ų36.71%0.0120%0.197CC..  trans-82.3151.5-179.8-47.1-179.4000111.1R292 M296 I315 C318 I343 N346 K347 L348R292-L320 WeakPolarHBondContact O-CD2 3.41Å; M296-L320 HydrophobicContact CB-CD1 4.43Å; M296-L320 HydrophobicContact CB-CD2 3.65Å; M296-L320 HydrophobicContact CG-CD1 4.19Å; M296-L320 HydrophobicContact CG-CD2 4.31Å; M296-L320 HydrophobicContact SD-CD1 4.48Å; I315-L320 HydrophobicContact CD1-CD1 4.01Å; C318-L320 VanDerWaalsContact C-N 3.28Å; C318-L320 HydrophobicContact CB-CD1 4.12Å; C318-L320 HydrophobicContact CB-CD2 3.98Å; C318-L320 HydrophobicContact CB-CG 3.75Å; C318-L320 PolarHBondContact O-N 3.42Å; L320-I343 HydrophobicContact CD1-CD1 3.95Å; L320-I343 HydrophobicContact CD1-CG1 3.8Å; L320-N346 HydrophobicContact CB-CB 3.9Å; L320-N346 WeakPolarHBondContact CB-OD1 3.25Å; L320-N346 WeakPolarHBondContact CG-OD1 3.39Å; L320-N346 PolarHBondContact N-OD1 3.17Å; L320-K347 PolarHBondContact O-N 3.04Å; L320-L348 HydrophobicContact CB-CD2 4.2Å
321T98.8Very high98.7Very high52 Ų5236.7 Ų36.732%0.31920%0.198SC..BIsolated β-bridgetrans-131.3179.4177.780.20000111.3D293 A323 C324 K347D293-T321 VanDerWaalsContact CG-OG1 3.3Å; D293-T321 PolarHBondContact OD1-N 3.32Å; D293-T321 PolarHBondContact OD1-OG1 2.7Å; D293-T321 PolarHBondContact OD2-OG1 3.41Å; T321-A323 PolarHBondContact O-N 2.9Å; T321-A323 PolarHBondContact OG1-N 3.14Å; T321-C324 PolarHBondContact O-N 3.08Å; T321-C324 PolarHBondContact O-SG 2.94Å; T321-C324 VanDerWaalsContact O-SG 3.36Å; T321-K347 VanDerWaalsContact CA-O 3.3Å; T321-K347 WeakPolarHBondContact CA-O 3.22Å
322T98.7Very high98.7Very high48 Ų4834.3 Ų34.329%0.29419%0.187SC..G310 helixtrans-49.1-27.7170.6-46.20000113.6C324 C325 K347 L348 A351 L355T322-C324 PolarHBondContact O-N 3.01Å; T322-C325 WeakPolarHBondContact O-CB 3.48Å; T322-C325 PolarHBondContact O-N 3.28Å; T322-K347 PolarHBondContact N-O 3.19Å; T322-L348 WeakPolarHBondContact CB-O 3.49Å; T322-L348 PolarHBondContact OG1-O 2.89Å; T322-A351 HydrophobicContact CG2-CB 3.82Å; T322-L355 HydrophobicContact CG2-CD1 3.8Å
323A98.6Very high98.7Very high59 Ų5933.3 Ų33.349%0.48819%0.185SC..G310 helixtrans-62.5-38.3-17500000113D293 T321D293-A323 HydrophobicContact CB-CB 4.34Å; T321-A323 PolarHBondContact O-N 2.9Å; T321-A323 PolarHBondContact OG1-N 3.14Å
324C98.6Very high98.6Very high0 Ų036.8 Ų36.80%021%0.207CC..G310 helixtrans-78.4-17-179.575.50000113.7D293 M296 T321 T322 K326 A327 V328D293-C324 HydrophobicContact CB-CB 3.99Å; D293-C324 WeakPolarHBondContact OD1-CB 3.21Å; D293-C324 PolarHBondContact OD1-N 2.94Å; M296-C324 HydrophobicContact CB-CB 4.09Å; M296-C324 HydrophobicContact CG-CB 4.11Å; T321-C324 PolarHBondContact O-N 3.08Å; T321-C324 PolarHBondContact O-SG 2.94Å; T321-C324 VanDerWaalsContact O-SG 3.36Å; T322-C324 PolarHBondContact O-N 3.01Å; C324-K326 PolarHBondContact O-N 2.71Å; C324-K326 VanDerWaalsContact O-N 3.1Å; C324-A327 WeakPolarHBondContact O-CA 3.2Å; C324-A327 WeakPolarHBondContact O-CB 3.36Å; C324-A327 PolarHBondContact O-N 3.05Å; C324-V328 PolarHBondContact O-N 3.47Å; C324-V328 VanDerWaalsContact O-N 3.07Å
325C98.8Very high98.5Very high0 Ų034.4 Ų34.40%020%0.198CC..Hα-helixtrans-58.5-29.7-172.5-68.90000113.8T322 V328 S329 G352 L355 M356T322-C325 WeakPolarHBondContact O-CB 3.48Å; T322-C325 PolarHBondContact O-N 3.28Å; C325-V328 PolarHBondContact O-N 2.88Å; C325-S329 VanDerWaalsContact O-CB 3.29Å; C325-S329 WeakPolarHBondContact O-CB 3.39Å; C325-S329 PolarHBondContact O-N 2.81Å; C325-G352 WeakPolarHBondContact CB-O 3.45Å; C325-G352 WeakPolarHBondContact SG-CA 3.22Å; C325-L355 HydrophobicContact CB-CB 3.89Å; C325-L355 HydrophobicContact CB-CD1 4.3Å; C325-M356 HydrophobicContact CB-CG 3.95Å
326K98.8Very high98.4Very high140 Ų14040.6 Ų40.661%0.60923%0.225SC*.Hα-helixtrans-65.7-39.9172-74.8-179.4-178.9177.10112.6C324 S330 L355C324-K326 PolarHBondContact O-N 2.71Å; C324-K326 VanDerWaalsContact O-N 3.1Å; K326-S330 WeakPolarHBondContact O-CB 3.26Å; K326-S330 PolarHBondContact O-N 3.19Å; K326-L355 HydrophobicContact CD-CD2 4.24Å; K326-L355 HydrophobicContact CG-CB 4.34Å; K326-L355 HydrophobicContact CG-CD1 4.14Å; K326-L355 HydrophobicContact CG-CD2 3.8Å; K326-L355 HydrophobicContact CG-CG 4.31Å
327A98.9Very high98.4Very high21 Ų2137.7 Ų37.717%0.17422%0.216CC..Hα-helixtrans-66.9-41.7176.600000110.8E297 C300 C324 S330 A331E297-A327 HydrophobicContact CG-CB 3.93Å; C300-A327 HydrophobicContact CB-CB 3.9Å; C300-A327 VanDerWaalsContact SG-C 3.55Å; C324-A327 WeakPolarHBondContact O-CA 3.2Å; C324-A327 WeakPolarHBondContact O-CB 3.36Å; C324-A327 PolarHBondContact O-N 3.05Å; A327-S330 PolarHBondContact O-N 3.21Å; A327-A331 PolarHBondContact O-N 3.06Å
328V98.8Very high98.4Very high3 Ų333.7 Ų33.72%0.01820%0.197CC..Hα-helixtrans-58.3-53.6173.5-178.20000110.5M296 C300 C324 C325 S330 A331 L332 L341 I343 M356M296-V328 HydrophobicContact CE-CG2 3.62Å; M296-V328 HydrophobicContact CG-CG2 4.16Å; C300-V328 PolarHBondContact SG-N 3.16Å; C324-V328 PolarHBondContact O-N 3.47Å; C324-V328 VanDerWaalsContact O-N 3.07Å; C325-V328 PolarHBondContact O-N 2.88Å; V328-S330 VanDerWaalsContact C-N 3.28Å; V328-S330 PolarHBondContact O-N 3.41Å; V328-A331 WeakPolarHBondContact O-CB 3.45Å; V328-A331 PolarHBondContact O-N 2.93Å; V328-L332 HydrophobicContact CG1-CD1 4.01Å; V328-L332 HydrophobicContact CG1-CG 4.32Å; V328-L332 WeakPolarHBondContact O-CG 2.7Å; V328-L332 PolarHBondContact O-N 3.02Å; V328-L341 HydrophobicContact CG1-CD2 4.1Å; V328-I343 HydrophobicContact CG2-CD1 4.38Å; V328-M356 HydrophobicContact CB-CG 4.42Å; V328-M356 HydrophobicContact CB-SD 4.26Å; V328-M356 HydrophobicContact CG1-CG 4.36Å; V328-M356 HydrophobicContact CG1-SD 3.83Å
329S98.8Very high98.4Very high11 Ų1137.1 Ų37.18%0.07721%0.212CC..Hα-helixtrans-52.1-47.2176.6-162.90000111.9C325 A331 L332 S333 L355 G359C325-S329 VanDerWaalsContact O-CB 3.29Å; C325-S329 WeakPolarHBondContact O-CB 3.39Å; C325-S329 PolarHBondContact O-N 2.81Å; S329-A331 PolarHBondContact O-N 2.81Å; S329-L332 PolarHBondContact O-N 3.01Å; S329-S333 PolarHBondContact O-N 3.46Å; S329-L355 WeakPolarHBondContact CB-O 3.4Å; S329-L355 PolarHBondContact OG-O 3.42Å; S329-G359 WeakPolarHBondContact O-CA 3.28Å; S329-G359 PolarHBondContact OG-N 2.83Å
330S98.6Very high98.4Very high47 Ų4736.7 Ų36.733%0.32920%0.204SC..Hα-helixtrans-63.9-40.3178-177.90000112.5K304 K326 A327 V328 S333K304-S330 VanDerWaalsContact CE-OG 3.24Å; K304-S330 WeakPolarHBondContact CE-OG 3.43Å; K304-S330 PolarHBondContact NZ-OG 3.34Å; K326-S330 WeakPolarHBondContact O-CB 3.26Å; K326-S330 PolarHBondContact O-N 3.19Å; A327-S330 PolarHBondContact O-N 3.21Å; V328-S330 VanDerWaalsContact C-N 3.28Å; V328-S330 PolarHBondContact O-N 3.41Å; S330-S333 PolarHBondContact O-N 2.85Å; S330-S333 PolarHBondContact O-OG 2.96Å
331A98.6Very high98.4Very high4 Ų436.7 Ų36.73%0.03320%0.204CC..Hα-helixtrans-64.2-46.6175.700000111.6C300 L303 A327 V328 S329 S333 V334 N335C300-A331 HydrophobicContact CB-CB 4.07Å; L303-A331 HydrophobicContact CB-CB 4.24Å; A327-A331 PolarHBondContact O-N 3.06Å; V328-A331 WeakPolarHBondContact O-CB 3.45Å; V328-A331 PolarHBondContact O-N 2.93Å; S329-A331 PolarHBondContact O-N 2.81Å; A331-S333 PolarHBondContact O-N 3.17Å; A331-V334 WeakPolarHBondContact O-CG2 3.25Å; A331-V334 PolarHBondContact O-N 2.81Å; A331-V334 VanDerWaalsContact O-N 3.12Å; A331-N335 VanDerWaalsContact O-CB 3.31Å; A331-N335 WeakPolarHBondContact O-CB 3.15Å; A331-N335 PolarHBondContact O-N 3.36Å
332L98.3Very high98.4Very high5 Ų535 Ų353%0.02619%0.192CC..Hα-helixtrans-61-31.3177.8-66.1177.7000113.1V328 S329 V334 L338 L360 C365 I367V328-L332 HydrophobicContact CG1-CD1 4.01Å; V328-L332 HydrophobicContact CG1-CG 4.32Å; V328-L332 WeakPolarHBondContact O-CG 2.7Å; V328-L332 PolarHBondContact O-N 3.02Å; S329-L332 PolarHBondContact O-N 3.01Å; L332-V334 VanDerWaalsContact C-N 3.28Å; L332-V334 PolarHBondContact O-N 2.95Å; L332-L338 HydrophobicContact CD2-CD2 3.94Å; L332-L360 HydrophobicContact CD1-CD2 3.73Å; L332-L360 HydrophobicContact CD1-CG 3.95Å; L332-C365 WeakPolarHBondContact O-CB 3.25Å; L332-I367 HydrophobicContact CD2-CD1 3.82Å; L332-I367 HydrophobicContact CD2-CG1 3.7Å
333S97.9Very high98.4Very high26 Ų2632.7 Ų32.718%0.18218%0.178CC..Hα-helixtrans-67.9-26.7177.873.80000113.6S329 S330 A331 H362S329-S333 PolarHBondContact O-N 3.46Å; S330-S333 PolarHBondContact O-N 2.85Å; S330-S333 PolarHBondContact O-OG 2.96Å; A331-S333 PolarHBondContact O-N 3.17Å; S333-H362 PolarHBondContact O-CE1 3.04Å; S333-H362 PolarHBondContact O-ND1 2.92Å
334V97.8Very high98.4Very high76 Ų7630.1 Ų30.146%0.46116%0.158SC..Hα-helixtrans-111.7-32.7-175.3-58.70000113.5K304 A331 L332 K336K304-V334 HydrophobicContact CB-CG2 3.78Å; K304-V334 HydrophobicContact CD-CG2 4.24Å; K304-V334 HydrophobicContact CG-CG2 3.51Å; A331-V334 WeakPolarHBondContact O-CG2 3.25Å; A331-V334 PolarHBondContact O-N 2.81Å; A331-V334 VanDerWaalsContact O-N 3.12Å; L332-V334 VanDerWaalsContact C-N 3.28Å; L332-V334 PolarHBondContact O-N 2.95Å; V334-K336 PolarHBondContact O-N 2.92Å
335N97.4Very high98.4Very high10 Ų1033.3 Ų33.35%0.05317%0.172CC..  trans-77.5122.4179.9-171.1-66000109.8L303 A308 A331 H337 L338L303-N335 WeakPolarHBondContact O-CB 3.16Å; L303-N335 PolarHBondContact O-ND2 3.1Å; A308-N335 PolarHBondContact O-ND2 2.88Å; A331-N335 VanDerWaalsContact O-CB 3.31Å; A331-N335 WeakPolarHBondContact O-CB 3.15Å; A331-N335 PolarHBondContact O-N 3.36Å; N335-H337 WeakPolarHBondContact OD1-CA 3.09Å; N335-H337 PolarHBondContact OD1-N 2.79Å; N335-L338 PolarHBondContact OD1-N 3.03Å
336K96.7Very high98.4Very high131 Ų13133.5 Ų33.557%0.5717%0.173SC*.SBendtrans-99.5-3.3-179.366.9-179-178.6-179.70113.6V334 N366V334-K336 PolarHBondContact O-N 2.92Å; K336-N366 PolarHBondContact O-ND2 3.2Å
337H98.3Very high98.4Very high38 Ų3833.8 Ų33.818%0.17617%0.174CC..SBendtrans-100.4-34.9-170.9-61.9-86.7000112.2A308 E309 L310 N335 K339A308-H337 PolarHBondContact O-CD2 3.3Å; E309-H337 IonicContact OE1-CE1 3.28Å; L310-H337 CarbonylContact O-C 3.41Å; N335-H337 WeakPolarHBondContact OD1-CA 3.09Å; N335-H337 PolarHBondContact OD1-N 2.79Å; H337-K339 PolarHBondContact O-N 3.46Å
338L98.6Very high98.4Very high7 Ų732.8 Ų32.84%0.03717%0.166CC..  trans-65.2123.5-179-162.372000110.5L310 L313 L332 N335 N366 I367L310-L338 HydrophobicContact CD2-CD1 4.32Å; L310-L338 HydrophobicContact CG-CD1 4.47Å; L310-L338 WeakPolarHBondContact O-CA 3.24Å; L310-L338 PolarHBondContact O-N 2.92Å; L313-L338 HydrophobicContact CB-CD1 3.98Å; L332-L338 HydrophobicContact CD2-CD2 3.94Å; N335-L338 PolarHBondContact OD1-N 3.03Å; L338-N366 CarbonylContact O-C 3.59Å; L338-I367 HydrophobicContact CB-CD1 4.27Å; L338-I367 HydrophobicContact CD2-CD1 3.99Å; L338-I367 HydrophobicContact CG-CD1 3.87Å
339K98.8Very high98.4Very high71 Ų7133.3 Ų33.331%0.30917%0.172SC..  trans-118.4-32.4-178-68.6170.3-172.1169.30112.2Q311 H337 I367 Q368 S369Q311-K339 PolarHBondContact O-N 3.1Å; H337-K339 PolarHBondContact O-N 3.46Å; K339-I367 CarbonylContact O-C 3.49Å; K339-I367 WeakPolarHBondContact O-CA 3.48Å; K339-Q368 HydrophobicContact CB-CG 4.41Å; K339-Q368 PolarHBondContact O-N 3.23Å; K339-S369 PolarHBondContact O-N 3.06Å; K339-S369 VanDerWaalsContact O-N 3.09Å
340V98.9Very high98.4Very high19 Ų1934.6 Ų34.612%0.11518%0.178CC..EExtended strand (participates in β ladder)trans-122.6126.7-177.4-176.90000109.1Q311 E312 L313 H342 S369Q311-V340 PolarHBondContact O-N 3.46Å; E312-V340 WeakPolarHBondContact CA-O 3.15Å; E312-V340 HydrophobicContact CB-CB 3.97Å; E312-V340 HydrophobicContact CG-CB 3.75Å; E312-V340 HydrophobicContact CG-CG2 3.84Å; L313-V340 PolarHBondContact N-O 3.4Å; V340-H342 WeakPolarHBondContact CG1-NE2 3.16Å; V340-S369 WeakPolarHBondContact CA-O 3.14Å
341L98.9Very high98.4Very high2 Ų235 Ų351%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-131.6107.2174.8179.561.6000109.4L313 I315 V328 I343 I367 S369 L370 W371L313-L341 HydrophobicContact CB-CD1 4.22Å; L313-L341 HydrophobicContact CD2-CD1 4.18Å; L313-L341 HydrophobicContact CG-CD1 4.27Å; I315-L341 HydrophobicContact CD1-CD1 3.91Å; I315-L341 HydrophobicContact CG1-CD1 4.21Å; V328-L341 HydrophobicContact CG1-CD2 4.1Å; L341-I343 HydrophobicContact CD1-CB 4.47Å; L341-I343 HydrophobicContact CG-CB 4.29Å; L341-I343 HydrophobicContact CG-CG2 4.44Å; L341-I367 HydrophobicContact CB-CD1 4.11Å; L341-S369 PolarHBondContact N-O 2.88Å; L341-L370 HydrophobicContact CB-CD1 4.2Å; L341-L370 HydrophobicContact CD2-CD1 4.13Å; L341-L370 HydrophobicContact CG-CD1 4.31Å; L341-W371 PolarHBondContact O-N 3.41Å
342H98.8Very high98.4Very high17 Ų1734.9 Ų34.98%0.07918%0.183CC..EExtended strand (participates in β ladder)trans-98.1104.6171-60.4178.3000109L313 W314 I315 R316 V340 W371L313-H342 PolarHBondContact O-N 2.97Å; W314-H342 HydrophobicContact CB-CB 4.33Å; W314-H342 AromaticContact CD2-ND1 3.69Å; W314-H342 AromaticContact CE2-CE1 3.92Å; W314-H342 AromaticContact CE2-ND1 3.84Å; W314-H342 HydrophobicContact CG-CB 4.41Å; W314-H342 AromaticContact CG-ND1 3.94Å; I315-H342 CarbonylContact C-O 3.49Å; I315-H342 VanDerWaalsContact CG1-O 3.23Å; I315-H342 WeakPolarHBondContact CG1-O 3.41Å; I315-H342 PolarHBondContact N-O 3.44Å; R316-H342 PolarHBondContact N-O 3.27Å; V340-H342 WeakPolarHBondContact CG1-NE2 3.16Å; H342-W371 HydrophobicContact CB-CB 4.29Å; H342-W371 AromaticContact CD2-CD1 3.54Å; H342-W371 AromaticContact CD2-CD2 3.64Å; H342-W371 AromaticContact CD2-CE2 3.95Å; H342-W371 AromaticContact CD2-CG 3.38Å; H342-W371 AromaticContact CD2-NE1 3.89Å; H342-W371 AromaticContact CE1-CD2 3.81Å; H342-W371 AromaticContact CE1-CE2 3.72Å; H342-W371 AromaticContact CE1-CZ2 3.92Å; H342-W371 AromaticContact CG-CD2 3.98Å; H342-W371 AromaticContact CG-CG 3.97Å; H342-W371 AromaticContact NE2-CD1 3.61Å; H342-W371 AromaticContact NE2-CD2 3.56Å; H342-W371 AromaticContact NE2-CE2 3.4Å; H342-W371 AromaticContact NE2-CG 3.71Å; H342-W371 AromaticContact NE2-CZ2 3.97Å; H342-W371 AromaticContact NE2-NE1 3.44Å; H342-W371 PolarHBondContact NE2-NE1 3.17Å
343I98.6Very high98.4Very high0 Ų034.7 Ų34.70%018%0.183CC..  trans-123.514.6-176.8-160.8172.3000112.2I315 L320 V328 L341 N346 L348 W371 L372I315-I343 HydrophobicContact CD1-CB 4.29Å; I315-I343 HydrophobicContact CD1-CD1 3.9Å; I315-I343 HydrophobicContact CD1-CG1 3.81Å; I315-I343 HydrophobicContact CG1-CB 4.18Å; I315-I343 HydrophobicContact CG1-CG1 4.04Å; L320-I343 HydrophobicContact CD1-CD1 3.95Å; L320-I343 HydrophobicContact CD1-CG1 3.8Å; V328-I343 HydrophobicContact CG2-CD1 4.38Å; L341-I343 HydrophobicContact CD1-CB 4.47Å; L341-I343 HydrophobicContact CG-CB 4.29Å; L341-I343 HydrophobicContact CG-CG2 4.44Å; I343-N346 PolarHBondContact O-ND2 3.26Å; I343-L348 HydrophobicContact CD1-CD1 4.17Å; I343-L348 HydrophobicContact CD1-CD2 4.45Å; I343-L348 HydrophobicContact CG1-CD1 4.16Å; I343-L348 HydrophobicContact CG2-CD1 3.91Å; I343-W371 WeakPolarHBondContact CG2-O 3.45Å; I343-W371 PolarHBondContact N-O 3.41Å; I343-L372 HydrophobicContact CG2-CD2 3.55Å
344G98.5Very high98.4Very high5 Ų537.4 Ų37.45%0.05219%0.192CC..  trans-56.3172.2176.500000114.5R316 E317 N346 W371 G373R316-G344 VanDerWaalsContact CA-O 3.23Å; R316-G344 WeakPolarHBondContact CA-O 3.43Å; R316-G344 VanDerWaalsContact CG-O 3.26Å; R316-G344 WeakPolarHBondContact CG-O 3.46Å; E317-G344 PolarHBondContact N-O 2.83Å; E317-G344 VanDerWaalsContact N-O 3.14Å; G344-N346 PolarHBondContact O-N 2.67Å; G344-N346 VanDerWaalsContact O-N 3.16Å; G344-N346 PolarHBondContact O-ND2 3.3Å; G344-W371 PolarHBondContact N-O 2.75Å; G344-G373 CarbonylContact C-O 3.41Å; G344-G373 WeakPolarHBondContact CA-O 3.46Å
345E98.6Very high98.5Very high66 Ų6636.5 Ų36.531%0.30819%0.185SC..SBendtrans52.436.9179.5-57.1174.1170.600112.6R316 E317 G373 N374R316-E345 VanDerWaalsContact CD-CD 3.45Å; R316-E345 WeakPolarHBondContact CD-OE2 3.42Å; R316-E345 HydrophobicContact CG-CB 3.77Å; R316-E345 HydrophobicContact CG-CG 3.82Å; R316-E345 VanDerWaalsContact CG-OE2 3.3Å; R316-E345 WeakPolarHBondContact CG-OE2 3.4Å; R316-E345 IonicContact CZ-OE2 3.05Å; R316-E345 IonicContact NE-OE1 3.69Å; R316-E345 IonicContact NE-OE2 3.73Å; R316-E345 PolarHBondContact NE-OE2 3.19Å; E317-E345 WeakPolarHBondContact CA-O 3.43Å; E317-E345 HydrophobicContact CB-CB 4.08Å; E345-G373 PolarHBondContact N-O 2.7Å; E345-N374 VanDerWaalsContact CA-O 3.22Å; E345-N374 WeakPolarHBondContact CA-O 3.46Å; E345-N374 HydrophobicContact CG-CB 3.99Å; E345-N374 PolarHBondContact N-O 3.37Å
346N98.8Very high98.5Very high4 Ų436.1 Ų36.12%0.02118%0.183CC..SBendtrans-131.9145.7176.9-74.5-67.2000109.8I315 C318 G319 L320 I343 G344 L348 N374 C375I315-N346 PolarHBondContact O-ND2 3.03Å; C318-N346 PolarHBondContact N-OD1 2.82Å; G319-N346 PolarHBondContact N-OD1 3.27Å; L320-N346 HydrophobicContact CB-CB 3.9Å; L320-N346 WeakPolarHBondContact CB-OD1 3.25Å; L320-N346 WeakPolarHBondContact CG-OD1 3.39Å; L320-N346 PolarHBondContact N-OD1 3.17Å; I343-N346 PolarHBondContact O-ND2 3.26Å; G344-N346 PolarHBondContact O-N 2.67Å; G344-N346 VanDerWaalsContact O-N 3.16Å; G344-N346 PolarHBondContact O-ND2 3.3Å; N346-L348 HydrophobicContact CB-CD2 3.95Å; N346-L348 HydrophobicContact CB-CG 4.09Å; N346-L348 PolarHBondContact O-N 3.24Å; N346-N374 PolarHBondContact N-O 3.06Å; N346-C375 CarbonylContact O-C 3.6Å; N346-C375 WeakPolarHBondContact O-CA 3.32Å
347K98.6Very high98.6Very high146 Ų14633.8 Ų33.864%0.63517%0.17SC*.BIsolated β-bridgetrans-80.957.6-174.1-59.3-166.3175-171.50112.6L320 T321 T322 D376L320-K347 PolarHBondContact O-N 3.04Å; T321-K347 VanDerWaalsContact CA-O 3.3Å; T321-K347 WeakPolarHBondContact CA-O 3.22Å; T322-K347 PolarHBondContact N-O 3.19Å; K347-D376 WeakPolarHBondContact CB-OD2 3.4Å; K347-D376 WeakPolarHBondContact CG-OD2 3.23Å
348L98.6Very high98.5Very high0 Ų039.7 Ų39.70%020%0.198CC..  trans-71.3-40.7-176.5-54.2-173.8000111.2L320 T322 I343 N346 G352 M356 L372 C375L320-L348 HydrophobicContact CB-CD2 4.2Å; T322-L348 WeakPolarHBondContact CB-O 3.49Å; T322-L348 PolarHBondContact OG1-O 2.89Å; I343-L348 HydrophobicContact CD1-CD1 4.17Å; I343-L348 HydrophobicContact CD1-CD2 4.45Å; I343-L348 HydrophobicContact CG1-CD1 4.16Å; I343-L348 HydrophobicContact CG2-CD1 3.91Å; N346-L348 HydrophobicContact CB-CD2 3.95Å; N346-L348 HydrophobicContact CB-CG 4.09Å; N346-L348 PolarHBondContact O-N 3.24Å; L348-G352 WeakPolarHBondContact O-CA 3.44Å; L348-G352 PolarHBondContact O-N 3.38Å; L348-M356 HydrophobicContact CD1-CE 4.11Å; L348-L372 HydrophobicContact CD1-CD2 3.95Å; L348-C375 HydrophobicContact CB-CB 4.46Å; L348-C375 HydrophobicContact CD1-CB 4.5Å; L348-C375 HydrophobicContact CG-CB 4.49Å
349G98.6Very high98.5Very high14 Ų1439.4 Ų39.414%0.14420%0.196CC..Hα-helixtrans64.1172.7-176.300000113.6A351 G352 V353 C375G349-A351 PolarHBondContact O-N 3.4Å; G349-G352 WeakPolarHBondContact O-CA 3.49Å; G349-G352 PolarHBondContact O-N 2.95Å; G349-V353 PolarHBondContact O-N 2.99Å; G349-C375 PolarHBondContact N-O 2.99Å
350D98.8Very high98.5Very high39 Ų3936.3 Ų36.321%0.20918%0.184CC..Hα-helixtrans-56.7-38.6179.4-60.6-49.3000112.7G352 V353 E354 T378 A380 C381D350-G352 PolarHBondContact O-N 2.97Å; D350-V353 PolarHBondContact O-N 2.77Å; D350-E354 PolarHBondContact O-N 3.29Å; D350-E354 VanDerWaalsContact O-N 3.07Å; D350-T378 PolarHBondContact OD1-N 3.41Å; D350-T378 PolarHBondContact OD1-OG1 3.25Å; D350-T378 PolarHBondContact OD2-OG1 3.07Å; D350-A380 HydrophobicContact CB-CB 4.35Å; D350-C381 HydrophobicContact CB-CB 3.95Å; D350-C381 VanDerWaalsContact OD1-CB 3.24Å; D350-C381 WeakPolarHBondContact OD1-CB 3.48Å; D350-C381 PolarHBondContact OD1-N 3.27Å; D350-C381 PolarHBondContact OD1-SG 3.3Å; D350-C381 VanDerWaalsContact OD1-SG 3.4Å
351A98.6Very high98.4Very high56 Ų5637.9 Ų37.946%0.46319%0.191SC..Hα-helixtrans-62.8-31.6176.600000112.4T322 G349 E354 L355T322-A351 HydrophobicContact CG2-CB 3.82Å; G349-A351 PolarHBondContact O-N 3.4Å; A351-E354 PolarHBondContact O-N 3.28Å; A351-L355 VanDerWaalsContact O-CG 3.23Å; A351-L355 WeakPolarHBondContact O-CG 3.47Å; A351-L355 PolarHBondContact O-N 3.44Å
352G98.6Very high98.4Very high0 Ų041.1 Ų41.10%021%0.206CC..Hα-helixtrans-65.6-45.2176.400000111.9C325 L348 G349 D350 E354 L355 M356C325-G352 WeakPolarHBondContact CB-O 3.45Å; C325-G352 WeakPolarHBondContact SG-CA 3.22Å; L348-G352 WeakPolarHBondContact O-CA 3.44Å; L348-G352 PolarHBondContact O-N 3.38Å; G349-G352 WeakPolarHBondContact O-CA 3.49Å; G349-G352 PolarHBondContact O-N 2.95Å; D350-G352 PolarHBondContact O-N 2.97Å; G352-E354 VanDerWaalsContact C-N 3.34Å; G352-E354 PolarHBondContact O-N 3Å; G352-L355 PolarHBondContact O-N 2.82Å; G352-M356 WeakPolarHBondContact O-CG 3.43Å; G352-M356 PolarHBondContact O-N 2.99Å
353V98.2Very high98.3Very high2 Ų245.6 Ų45.61%0.01224%0.236CC..Hα-helixtrans-61.8-42.6174.9177.20000111G349 D350 L355 M356 R357 L372 L377 C381 T384 L385G349-V353 PolarHBondContact O-N 2.99Å; D350-V353 PolarHBondContact O-N 2.77Å; V353-L355 VanDerWaalsContact C-N 3.33Å; V353-L355 PolarHBondContact O-N 3.42Å; V353-M356 HydrophobicContact CG2-CE 4.43Å; V353-M356 PolarHBondContact O-N 3.35Å; V353-R357 PolarHBondContact O-N 3.34Å; V353-R357 VanDerWaalsContact O-N 3.14Å; V353-L372 HydrophobicContact CG2-CD1 4.42Å; V353-L377 HydrophobicContact CG2-CD1 4.11Å; V353-L377 HydrophobicContact CG2-CD2 3.5Å; V353-L377 VanDerWaalsContact CG2-CD2 3.5Å; V353-L377 HydrophobicContact CG2-CG 4.47Å; V353-C381 HydrophobicContact CB-CB 4.18Å; V353-C381 HydrophobicContact CG1-CB 4.28Å; V353-C381 HydrophobicContact CG2-CB 4.48Å; V353-T384 HydrophobicContact CG1-CG2 4.23Å; V353-L385 HydrophobicContact CG1-CD2 3.74Å; V353-L385 HydrophobicContact CG1-CG 3.99Å
354E98.4Very high98Very high82 Ų8249.5 Ų49.538%0.38326%0.257SS..Hα-helixtrans-62.2-39.4176.2-170.559.7-154.600112.2D350 A351 G352 M356 R357 T384D350-E354 PolarHBondContact O-N 3.29Å; D350-E354 VanDerWaalsContact O-N 3.07Å; A351-E354 PolarHBondContact O-N 3.28Å; G352-E354 VanDerWaalsContact C-N 3.34Å; G352-E354 PolarHBondContact O-N 3Å; E354-M356 VanDerWaalsContact C-N 3.33Å; E354-M356 PolarHBondContact O-N 2.85Å; E354-R357 WeakPolarHBondContact O-CB 3.14Å; E354-R357 PolarHBondContact O-N 3.21Å; E354-R357 VanDerWaalsContact OE1-CD 3.29Å; E354-R357 WeakPolarHBondContact OE1-CD 3.41Å; E354-R357 IonicContact OE1-CZ 2.7Å; E354-R357 IonicContact OE1-NH1 3.73Å; E354-R357 PolarHBondContact OE1-NH1 3.01Å; E354-R357 IonicContact OE2-NH1 3.91Å; E354-T384 WeakPolarHBondContact OE2-CB 3.33Å; E354-T384 VanDerWaalsContact OE2-CG2 3.29Å; E354-T384 WeakPolarHBondContact OE2-CG2 3.37Å; E354-T384 PolarHBondContact OE2-OG1 3.28Å
355L98.7Very high97.9Very high58 Ų5849.4 Ų49.430%0.30426%0.256SS..Hα-helixtrans-67.7-32.2176.5-71.5170.9000112.9T322 C325 K326 S329 A351 G352 V353 R357T322-L355 HydrophobicContact CG2-CD1 3.8Å; C325-L355 HydrophobicContact CB-CB 3.89Å; C325-L355 HydrophobicContact CB-CD1 4.3Å; K326-L355 HydrophobicContact CD-CD2 4.24Å; K326-L355 HydrophobicContact CG-CB 4.34Å; K326-L355 HydrophobicContact CG-CD1 4.14Å; K326-L355 HydrophobicContact CG-CD2 3.8Å; K326-L355 HydrophobicContact CG-CG 4.31Å; S329-L355 WeakPolarHBondContact CB-O 3.4Å; S329-L355 PolarHBondContact OG-O 3.42Å; A351-L355 VanDerWaalsContact O-CG 3.23Å; A351-L355 WeakPolarHBondContact O-CG 3.47Å; A351-L355 PolarHBondContact O-N 3.44Å; G352-L355 PolarHBondContact O-N 2.82Å; V353-L355 VanDerWaalsContact C-N 3.33Å; V353-L355 PolarHBondContact O-N 3.42Å; L355-R357 VanDerWaalsContact C-N 3.28Å
356M98.4Very high97.9Very high2 Ų249.3 Ų49.31%0.0126%0.257CS..Hα-helixtrans-75.7-15.9176-69.2-171.8-67.300113.5C325 V328 L348 G352 V353 E354 E358 G359 L360 L372C325-M356 HydrophobicContact CB-CG 3.95Å; V328-M356 HydrophobicContact CB-CG 4.42Å; V328-M356 HydrophobicContact CB-SD 4.26Å; V328-M356 HydrophobicContact CG1-CG 4.36Å; V328-M356 HydrophobicContact CG1-SD 3.83Å; L348-M356 HydrophobicContact CD1-CE 4.11Å; G352-M356 WeakPolarHBondContact O-CG 3.43Å; G352-M356 PolarHBondContact O-N 2.99Å; V353-M356 HydrophobicContact CG2-CE 4.43Å; V353-M356 PolarHBondContact O-N 3.35Å; E354-M356 VanDerWaalsContact C-N 3.33Å; E354-M356 PolarHBondContact O-N 2.85Å; M356-E358 PolarHBondContact O-N 2.95Å; M356-G359 PolarHBondContact O-N 2.95Å; M356-L360 HydrophobicContact CB-CD1 4Å; M356-L360 PolarHBondContact O-N 2.88Å; M356-L372 HydrophobicContact CE-CD2 4.11Å
357R98Very high97.9Very high82 Ų8249.3 Ų49.331%0.30926%0.257SS..Hα-helixtrans-51.1-50.7-176.1-176.9-174.9179.81644.6113.5V353 E354 L355 G359 L360 L361 T384V353-R357 PolarHBondContact O-N 3.34Å; V353-R357 VanDerWaalsContact O-N 3.14Å; E354-R357 WeakPolarHBondContact O-CB 3.14Å; E354-R357 PolarHBondContact O-N 3.21Å; E354-R357 VanDerWaalsContact OE1-CD 3.29Å; E354-R357 WeakPolarHBondContact OE1-CD 3.41Å; E354-R357 IonicContact OE1-CZ 2.7Å; E354-R357 IonicContact OE1-NH1 3.73Å; E354-R357 PolarHBondContact OE1-NH1 3.01Å; E354-R357 IonicContact OE2-NH1 3.91Å; L355-R357 VanDerWaalsContact C-N 3.28Å; R357-G359 PolarHBondContact O-N 3.42Å; R357-L360 PolarHBondContact O-N 2.97Å; R357-L361 HydrophobicContact CG-CD1 3.73Å; R357-L361 HydrophobicContact CG-CG 4.34Å; R357-L361 VanDerWaalsContact O-CB 3.29Å; R357-L361 WeakPolarHBondContact O-CB 3.46Å; R357-L361 VanDerWaalsContact O-CG 3.26Å; R357-L361 WeakPolarHBondContact O-CG 3.31Å; R357-L361 PolarHBondContact O-N 2.93Å; R357-T384 HydrophobicContact CB-CG2 3.94Å; R357-T384 HydrophobicContact CG-CG2 3.87Å
358E96.9Very high97.9Very high161 Ų16146.3 Ų46.375%0.75225%0.245SC*.Hα-helixtrans-61.9-44.8-176.9-68.7-173.2169.900111.9M356 L361 H362M356-E358 PolarHBondContact O-N 2.95Å; E358-L361 PolarHBondContact O-N 3.17Å; E358-H362 PolarHBondContact O-N 2.92Å
359G98.3Very high97.9Very high1 Ų146.7 Ų46.71%0.0125%0.248CC..Hα-helixtrans-63-48.3176.800000112.8S329 M356 R357 L361 H362 C365S329-G359 WeakPolarHBondContact O-CA 3.28Å; S329-G359 PolarHBondContact OG-N 2.83Å; M356-G359 PolarHBondContact O-N 2.95Å; R357-G359 PolarHBondContact O-N 3.42Å; G359-L361 VanDerWaalsContact C-N 3.32Å; G359-L361 PolarHBondContact O-N 3.39Å; G359-H362 VanDerWaalsContact O-CB 3.27Å; G359-H362 WeakPolarHBondContact O-CB 3.44Å; G359-H362 PolarHBondContact O-N 2.92Å; G359-C365 VanDerWaalsContact O-CB 3.24Å; G359-C365 WeakPolarHBondContact O-CB 3.38Å
360L98.2Very high97.9Very high7 Ų746.1 Ų46.14%0.03724%0.242CC..Hα-helixtrans-62.4-39.2178.1-74167.7000111.7L332 M356 R357 H362 I367 L370 I388 K392L332-L360 HydrophobicContact CD1-CD2 3.73Å; L332-L360 HydrophobicContact CD1-CG 3.95Å; M356-L360 HydrophobicContact CB-CD1 4Å; M356-L360 PolarHBondContact O-N 2.88Å; R357-L360 PolarHBondContact O-N 2.97Å; L360-H362 VanDerWaalsContact C-N 3.32Å; L360-H362 PolarHBondContact O-N 2.84Å; L360-I367 HydrophobicContact CD2-CG1 4.44Å; L360-L370 HydrophobicContact CD1-CD2 4.03Å; L360-L370 HydrophobicContact CD2-CD2 4.2Å; L360-I388 HydrophobicContact CB-CD1 4.32Å; L360-I388 HydrophobicContact CB-CG1 4.49Å; L360-I388 HydrophobicContact CB-CG2 4.37Å; L360-I388 HydrophobicContact CD1-CD1 3.85Å; L360-K392 WeakPolarHBondContact O-CD 3.28Å; L360-K392 WeakPolarHBondContact O-CE 3.43Å; L360-K392 WeakPolarHBondContact O-CG 3.37Å; L360-K392 PolarHBondContact O-NZ 3.38Å
361L98.2Very high97.9Very high52 Ų5247.7 Ų47.727%0.27225%0.245SC..Hα-helixtrans-74.7-18.8177.8-69.7179.5000113.6R357 E358 G359 T387 I388 A391 K392R357-L361 HydrophobicContact CG-CD1 3.73Å; R357-L361 HydrophobicContact CG-CG 4.34Å; R357-L361 VanDerWaalsContact O-CB 3.29Å; R357-L361 WeakPolarHBondContact O-CB 3.46Å; R357-L361 VanDerWaalsContact O-CG 3.26Å; R357-L361 WeakPolarHBondContact O-CG 3.31Å; R357-L361 PolarHBondContact O-N 2.93Å; E358-L361 PolarHBondContact O-N 3.17Å; G359-L361 VanDerWaalsContact C-N 3.32Å; G359-L361 PolarHBondContact O-N 3.39Å; L361-T387 HydrophobicContact CD1-CG2 4.37Å; L361-I388 HydrophobicContact CD2-CG1 4.11Å; L361-I388 HydrophobicContact CG-CG1 4.28Å; L361-A391 HydrophobicContact CD2-CB 3.54Å; L361-K392 HydrophobicContact CD2-CG 4.47Å; L361-K392 VanDerWaalsContact O-CE 3.29Å; L361-K392 WeakPolarHBondContact O-CE 3.32Å; L361-K392 PolarHBondContact O-NZ 2.56Å
362H98.2Very high97.9Very high70 Ų7045 Ų4532%0.32422%0.223SC..SBendtrans-60.2135.4-175.3-168.5-93.5000112.6S333 E358 G359 L360 N364 C365 K392S333-H362 PolarHBondContact O-CE1 3.04Å; S333-H362 PolarHBondContact O-ND1 2.92Å; E358-H362 PolarHBondContact O-N 2.92Å; G359-H362 VanDerWaalsContact O-CB 3.27Å; G359-H362 WeakPolarHBondContact O-CB 3.44Å; G359-H362 PolarHBondContact O-N 2.92Å; L360-H362 VanDerWaalsContact C-N 3.32Å; L360-H362 PolarHBondContact O-N 2.84Å; H362-N364 PolarHBondContact CE1-ND2 3.01Å; H362-N364 PolarHBondContact ND1-N 2.77Å; H362-N364 PolarHBondContact O-N 2.88Å; H362-C365 WeakPolarHBondContact O-CB 3.39Å; H362-C365 PolarHBondContact O-N 2.87Å; H362-K392 PolarHBondContact O-NZ 3.13Å
363P96.2Very high97.9Very high110 Ų11045.4 Ų45.471%0.71423%0.226SC*.THydrogen-bonded Turntrans-56.1-25.4-173.3-28.835.9000116.2
364N92.7Very high97.9Very high83 Ų8348.6 Ų48.644%0.44424%0.244SC..THydrogen-bonded Turntrans-83.3-15.5179.1-62.4-16.6000113.9H362 N366H362-N364 PolarHBondContact CE1-ND2 3.01Å; H362-N364 PolarHBondContact ND1-N 2.77Å; H362-N364 PolarHBondContact O-N 2.88Å; N364-N366 PolarHBondContact O-N 3.42Å
365C97.5Very high97.9Very high3 Ų344.7 Ų44.72%0.0223%0.225CC..  trans-70.9118.1-179.81740000110L332 G359 H362 K392L332-C365 WeakPolarHBondContact O-CB 3.25Å; G359-C365 VanDerWaalsContact O-CB 3.24Å; G359-C365 WeakPolarHBondContact O-CB 3.38Å; H362-C365 WeakPolarHBondContact O-CB 3.39Å; H362-C365 PolarHBondContact O-N 2.87Å; C365-K392 PolarHBondContact O-NZ 3.45Å
366N97.2Very high97.9Very high63 Ų6346.1 Ų46.134%0.33723%0.233SC..  trans-110.222.6-175.3-72.2-34.3000113.3K336 L338 N364 Q368K336-N366 PolarHBondContact O-ND2 3.2Å; L338-N366 CarbonylContact O-C 3.59Å; N364-N366 PolarHBondContact O-N 3.42Å; N366-Q368 WeakPolarHBondContact O-CG 3.37Å; N366-Q368 PolarHBondContact O-N 2.97Å
367I98.5Very high97.9Very high5 Ų546 Ų463%0.02623%0.233CC..  trans-59.1122.9175.4-63.7-66.5000110.2L332 L338 K339 L341 L360 L370 L395L332-I367 HydrophobicContact CD2-CD1 3.82Å; L332-I367 HydrophobicContact CD2-CG1 3.7Å; L338-I367 HydrophobicContact CB-CD1 4.27Å; L338-I367 HydrophobicContact CD2-CD1 3.99Å; L338-I367 HydrophobicContact CG-CD1 3.87Å; K339-I367 CarbonylContact O-C 3.49Å; K339-I367 WeakPolarHBondContact O-CA 3.48Å; L341-I367 HydrophobicContact CB-CD1 4.11Å; L360-I367 HydrophobicContact CD2-CG1 4.44Å; I367-L370 HydrophobicContact CG2-CB 3.98Å; I367-L395 HydrophobicContact CG2-CD1 4.28Å
368Q98.7Very high98Very high82 Ų8244.4 Ų44.438%0.38323%0.232SC..  trans-104.6-37178.9-63.5174.52.700111.6K339 N366 C394 T396 E397K339-Q368 HydrophobicContact CB-CG 4.41Å; K339-Q368 PolarHBondContact O-N 3.23Å; N366-Q368 WeakPolarHBondContact O-CG 3.37Å; N366-Q368 PolarHBondContact O-N 2.97Å; Q368-C394 VanDerWaalsContact CA-O 3.31Å; Q368-C394 WeakPolarHBondContact CA-O 3.43Å; Q368-C394 WeakPolarHBondContact CG-O 3.46Å; Q368-T396 PolarHBondContact O-N 3.16Å; Q368-T396 PolarHBondContact O-OG1 2.87Å; Q368-E397 PolarHBondContact O-N 2.81Å
369S98.9Very high98Very high8 Ų837.6 Ų37.66%0.05620%0.203CC..EExtended strand (participates in β ladder)trans-126.7124.4175.8-175.70000110.5K339 V340 L341 W371 E397K339-S369 PolarHBondContact O-N 3.06Å; K339-S369 VanDerWaalsContact O-N 3.09Å; V340-S369 WeakPolarHBondContact CA-O 3.14Å; L341-S369 PolarHBondContact N-O 2.88Å; S369-W371 VanDerWaalsContact OG-CD1 3.24Å; S369-W371 PolarHBondContact OG-NE1 3.05Å; S369-E397 WeakPolarHBondContact CA-O 3.42Å; S369-E397 PolarHBondContact OG-OE1 3.02Å
370L98.9Very high98Very high3 Ų340.9 Ų40.92%0.01623%0.23CC..EExtended strand (participates in β ladder)trans-127.1116.7179.817860.8000109.4L341 L360 I367 L372 L395 E397 L398 D399L341-L370 HydrophobicContact CB-CD1 4.2Å; L341-L370 HydrophobicContact CD2-CD1 4.13Å; L341-L370 HydrophobicContact CG-CD1 4.31Å; L360-L370 HydrophobicContact CD1-CD2 4.03Å; L360-L370 HydrophobicContact CD2-CD2 4.2Å; I367-L370 HydrophobicContact CG2-CB 3.98Å; L370-L372 HydrophobicContact CD1-CD2 4.45Å; L370-L372 HydrophobicContact CD1-CG 4.3Å; L370-L372 HydrophobicContact CD2-CD1 3.86Å; L370-L372 HydrophobicContact CD2-CG 4.37Å; L370-L372 HydrophobicContact CG-CD1 4.05Å; L370-L372 HydrophobicContact CG-CG 4.02Å; L370-L395 HydrophobicContact CB-CD1 4.06Å; L370-E397 PolarHBondContact N-O 3.42Å; L370-E397 VanDerWaalsContact N-O 3.13Å; L370-L398 HydrophobicContact CB-CD1 4.21Å; L370-L398 HydrophobicContact CD2-CD1 4.28Å; L370-L398 HydrophobicContact CG-CD1 4.28Å; L370-L398 WeakPolarHBondContact O-CA 3.4Å; L370-L398 WeakPolarHBondContact O-CD1 3.44Å; L370-D399 PolarHBondContact O-N 3.42Å
371W98.9Very high98Very high71 Ų7140.7 Ų40.727%0.26923%0.229SC..EExtended strand (participates in β ladder)trans-109.2117.2179.4-63.324.4000110.7L341 H342 I343 G344 S369 E397 D399 I428L341-W371 PolarHBondContact O-N 3.41Å; H342-W371 HydrophobicContact CB-CB 4.29Å; H342-W371 AromaticContact CD2-CD1 3.54Å; H342-W371 AromaticContact CD2-CD2 3.64Å; H342-W371 AromaticContact CD2-CE2 3.95Å; H342-W371 AromaticContact CD2-CG 3.38Å; H342-W371 AromaticContact CD2-NE1 3.89Å; H342-W371 AromaticContact CE1-CD2 3.81Å; H342-W371 AromaticContact CE1-CE2 3.72Å; H342-W371 AromaticContact CE1-CZ2 3.92Å; H342-W371 AromaticContact CG-CD2 3.98Å; H342-W371 AromaticContact CG-CG 3.97Å; H342-W371 AromaticContact NE2-CD1 3.61Å; H342-W371 AromaticContact NE2-CD2 3.56Å; H342-W371 AromaticContact NE2-CE2 3.4Å; H342-W371 AromaticContact NE2-CG 3.71Å; H342-W371 AromaticContact NE2-CZ2 3.97Å; H342-W371 AromaticContact NE2-NE1 3.44Å; H342-W371 PolarHBondContact NE2-NE1 3.17Å; I343-W371 WeakPolarHBondContact CG2-O 3.45Å; I343-W371 PolarHBondContact N-O 3.41Å; G344-W371 PolarHBondContact N-O 2.75Å; S369-W371 VanDerWaalsContact OG-CD1 3.24Å; S369-W371 PolarHBondContact OG-NE1 3.05Å; W371-E397 PolarHBondContact NE1-OE1 2.85Å; W371-D399 HydrophobicContact CB-CB 3.97Å; W371-D399 HydrophobicContact CD2-CB 4.05Å; W371-D399 HydrophobicContact CG-CB 3.73Å; W371-I428 HydrophobicContact CZ2-CD1 4.48Å
372L98.8Very high98Very high1 Ų138.2 Ų38.21%0.00522%0.217CC..  trans-12424.6-177.9-65.3168000111I343 L348 V353 M356 L370 C375 L377 L385 L398 D399 L400 N403I343-L372 HydrophobicContact CG2-CD2 3.55Å; L348-L372 HydrophobicContact CD1-CD2 3.95Å; V353-L372 HydrophobicContact CG2-CD1 4.42Å; M356-L372 HydrophobicContact CE-CD2 4.11Å; L370-L372 HydrophobicContact CD1-CD2 4.45Å; L370-L372 HydrophobicContact CD1-CG 4.3Å; L370-L372 HydrophobicContact CD2-CD1 3.86Å; L370-L372 HydrophobicContact CD2-CG 4.37Å; L370-L372 HydrophobicContact CG-CD1 4.05Å; L370-L372 HydrophobicContact CG-CG 4.02Å; L372-C375 VanDerWaalsContact O-CB 3.31Å; L372-C375 WeakPolarHBondContact O-CB 3.39Å; L372-L377 HydrophobicContact CB-CD1 4.01Å; L372-L377 HydrophobicContact CD1-CD1 4.47Å; L372-L385 HydrophobicContact CD1-CD2 4.11Å; L372-L398 HydrophobicContact CD1-CD1 4.45Å; L372-D399 CarbonylContact C-O 3.41Å; L372-D399 WeakPolarHBondContact CA-O 3.39Å; L372-D399 PolarHBondContact N-O 3.29Å; L372-L400 HydrophobicContact CB-CD2 4.19Å; L372-L400 HydrophobicContact CD1-CD2 4.37Å; L372-N403 PolarHBondContact O-ND2 3.46Å
373G98.6Very high98.1Very high7 Ų737.8 Ų37.87%0.07222%0.22CC..THydrogen-bonded Turntrans-60.9139.7177.100000111.6G344 E345 C375 D399 S401G344-G373 CarbonylContact C-O 3.41Å; G344-G373 WeakPolarHBondContact CA-O 3.46Å; E345-G373 PolarHBondContact N-O 2.7Å; G373-C375 PolarHBondContact O-N 2.69Å; G373-D399 PolarHBondContact N-O 3.32Å; G373-S401 CarbonylContact C-O 3.26Å; G373-S401 WeakPolarHBondContact CA-O 3.5Å
374N98.6Very high98.2Very high70 Ų7033 Ų3337%0.37419%0.189SC..THydrogen-bonded Turntrans51.953.8-179.5-165.517.2000113.3E345 N346 S401 N403E345-N374 VanDerWaalsContact CA-O 3.22Å; E345-N374 WeakPolarHBondContact CA-O 3.46Å; E345-N374 HydrophobicContact CG-CB 3.99Å; E345-N374 PolarHBondContact N-O 3.37Å; N346-N374 PolarHBondContact N-O 3.06Å; N374-S401 PolarHBondContact N-O 3.45Å; N374-N403 PolarHBondContact N-ND2 2.69Å
375C98.6Very high98.5Very high0 Ų029.2 Ų29.20%017%0.169CC..SBendtrans-111.518.9-175.4-84.30000114.8N346 L348 G349 L372 G373 L377 N403N346-C375 CarbonylContact O-C 3.6Å; N346-C375 WeakPolarHBondContact O-CA 3.32Å; L348-C375 HydrophobicContact CB-CB 4.46Å; L348-C375 HydrophobicContact CD1-CB 4.5Å; L348-C375 HydrophobicContact CG-CB 4.49Å; G349-C375 PolarHBondContact N-O 2.99Å; L372-C375 VanDerWaalsContact O-CB 3.31Å; L372-C375 WeakPolarHBondContact O-CB 3.39Å; G373-C375 PolarHBondContact O-N 2.69Å; C375-L377 HydrophobicContact CB-CD1 4.2Å; C375-L377 HydrophobicContact CB-CD2 4.1Å; C375-L377 HydrophobicContact CB-CG 3.78Å; C375-L377 PolarHBondContact O-N 2.9Å; C375-N403 PolarHBondContact N-OD1 2.97Å
376D98.4Very high98.5Very high88 Ų8829.8 Ų29.847%0.47117%0.173SC..  trans56.336.2-170.8-61.6-31.2000112.6K347 N403K347-D376 WeakPolarHBondContact CB-OD2 3.4Å; K347-D376 WeakPolarHBondContact CG-OD2 3.23Å; D376-N403 PolarHBondContact N-OD1 2.79Å
377L98.6Very high98.6Very high0 Ų029.4 Ų29.40%017%0.173CC..  trans-86.5142.8179.9-53.3-175.7000111.9V353 L372 C375 L400 N403 T404 L405V353-L377 HydrophobicContact CG2-CD1 4.11Å; V353-L377 HydrophobicContact CG2-CD2 3.5Å; V353-L377 VanDerWaalsContact CG2-CD2 3.5Å; V353-L377 HydrophobicContact CG2-CG 4.47Å; L372-L377 HydrophobicContact CB-CD1 4.01Å; L372-L377 HydrophobicContact CD1-CD1 4.47Å; C375-L377 HydrophobicContact CB-CD1 4.2Å; C375-L377 HydrophobicContact CB-CD2 4.1Å; C375-L377 HydrophobicContact CB-CG 3.78Å; C375-L377 PolarHBondContact O-N 2.9Å; L377-L400 HydrophobicContact CD1-CD2 4.33Å; L377-N403 HydrophobicContact CB-CB 3.97Å; L377-N403 WeakPolarHBondContact CB-OD1 3.5Å; L377-N403 WeakPolarHBondContact CG-OD1 3.29Å; L377-N403 PolarHBondContact N-OD1 3.25Å; L377-T404 CarbonylContact O-C 3.57Å; L377-T404 PolarHBondContact O-N 3.17Å; L377-T404 VanDerWaalsContact O-N 3.13Å; L377-T404 PolarHBondContact O-OG1 3.05Å; L377-L405 HydrophobicContact CB-CD2 3.99Å
378T98.6Very high98.6Very high47 Ų4729.4 Ų29.429%0.28817%0.173SC..BIsolated β-bridgetrans-126.1-179.8176.779.40000111.6D350 A380 C381 T404D350-T378 PolarHBondContact OD1-N 3.41Å; D350-T378 PolarHBondContact OD1-OG1 3.25Å; D350-T378 PolarHBondContact OD2-OG1 3.07Å; T378-A380 PolarHBondContact O-N 3.21Å; T378-A380 PolarHBondContact OG1-N 3.37Å; T378-C381 PolarHBondContact O-N 2.84Å; T378-C381 PolarHBondContact O-SG 3.19Å; T378-T404 WeakPolarHBondContact CA-O 3.48Å
379A98.3Very high98.6Very high18 Ų1825.6 Ų25.615%0.14916%0.156CC..G310 helixtrans-49.7-27.5172.500000113.5C381 C382 P383 L405 E408A379-C381 VanDerWaalsContact C-N 3.33Å; A379-C381 PolarHBondContact O-N 3.1Å; A379-C382 WeakPolarHBondContact O-CB 3.33Å; A379-C382 PolarHBondContact O-N 2.92Å; A379-P383 WeakPolarHBondContact O-CD 3.25Å; A379-L405 WeakPolarHBondContact CA-O 3.43Å; A379-L405 VanDerWaalsContact CB-O 3.27Å; A379-L405 WeakPolarHBondContact CB-O 3.22Å; A379-L405 PolarHBondContact N-O 3.38Å; A379-E408 HydrophobicContact CB-CB 4.33Å
380A98.4Very high98.5Very high70 Ų7026.8 Ų26.858%0.57916%0.162SC*.G310 helixtrans-65.5-29.2-175.900000114D350 T378D350-A380 HydrophobicContact CB-CB 4.35Å; T378-A380 PolarHBondContact O-N 3.21Å; T378-A380 PolarHBondContact OG1-N 3.37Å
381C98Very high98.5Very high3 Ų329.2 Ų29.22%0.0218%0.183CC..G310 helixtrans-85.9-16.917772.70000114D350 V353 T378 A379 P383 T384 L385D350-C381 HydrophobicContact CB-CB 3.95Å; D350-C381 VanDerWaalsContact OD1-CB 3.24Å; D350-C381 WeakPolarHBondContact OD1-CB 3.48Å; D350-C381 PolarHBondContact OD1-N 3.27Å; D350-C381 PolarHBondContact OD1-SG 3.3Å; D350-C381 VanDerWaalsContact OD1-SG 3.4Å; V353-C381 HydrophobicContact CB-CB 4.18Å; V353-C381 HydrophobicContact CG1-CB 4.28Å; V353-C381 HydrophobicContact CG2-CB 4.48Å; T378-C381 PolarHBondContact O-N 2.84Å; T378-C381 PolarHBondContact O-SG 3.19Å; A379-C381 VanDerWaalsContact C-N 3.33Å; A379-C381 PolarHBondContact O-N 3.1Å; C381-P383 VanDerWaalsContact C-CD 3.47Å; C381-T384 WeakPolarHBondContact O-CA 3.44Å; C381-T384 WeakPolarHBondContact O-CB 3.33Å; C381-T384 PolarHBondContact O-N 2.89Å; C381-L385 PolarHBondContact O-N 2.81Å
382C98.6Very high98.4Very high0 Ų026.9 Ų26.90%018%0.175CC..Hα-helixtrans-58.6-36.5-174.7-63.90000114.3A379 T384 L385 A386 G409 K412 I413A379-C382 WeakPolarHBondContact O-CB 3.33Å; A379-C382 PolarHBondContact O-N 2.92Å; C382-T384 VanDerWaalsContact C-N 3.25Å; C382-T384 PolarHBondContact O-N 3.01Å; C382-L385 PolarHBondContact O-N 3.5Å; C382-A386 WeakPolarHBondContact O-CB 3.17Å; C382-A386 PolarHBondContact O-N 3.16Å; C382-G409 WeakPolarHBondContact CB-O 3.4Å; C382-G409 WeakPolarHBondContact SG-CA 3.45Å; C382-K412 HydrophobicContact CB-CB 3.94Å; C382-I413 HydrophobicContact CB-CD1 4.23Å; C382-I413 HydrophobicContact CB-CG1 4.33Å
383P98.6Very high98.2Very high61 Ų6131.2 Ų31.240%0.39620%0.195SC..Hα-helixtrans-59.8-34.3172.5-25.935.8000113.7A379 C381 T387A379-P383 WeakPolarHBondContact O-CD 3.25Å; C381-P383 VanDerWaalsContact C-CD 3.47Å; P383-T387 PolarHBondContact O-N 2.86Å; P383-T387 PolarHBondContact O-OG1 3.45Å
384T98.7Very high98.2Very high10 Ų1032.7 Ų32.76%0.06120%0.204CC..Hα-helixtrans-75.3-44.9178.4-650000111.1V353 E354 R357 C381 C382 A386 T387 I388V353-T384 HydrophobicContact CG1-CG2 4.23Å; E354-T384 WeakPolarHBondContact OE2-CB 3.33Å; E354-T384 VanDerWaalsContact OE2-CG2 3.29Å; E354-T384 WeakPolarHBondContact OE2-CG2 3.37Å; E354-T384 PolarHBondContact OE2-OG1 3.28Å; R357-T384 HydrophobicContact CB-CG2 3.94Å; R357-T384 HydrophobicContact CG-CG2 3.87Å; C381-T384 WeakPolarHBondContact O-CA 3.44Å; C381-T384 WeakPolarHBondContact O-CB 3.33Å; C381-T384 PolarHBondContact O-N 2.89Å; C382-T384 VanDerWaalsContact C-N 3.25Å; C382-T384 PolarHBondContact O-N 3.01Å; T384-A386 VanDerWaalsContact C-N 3.34Å; T384-A386 PolarHBondContact O-N 3.42Å; T384-T387 WeakPolarHBondContact O-CB 3.47Å; T384-T387 PolarHBondContact O-N 2.82Å; T384-I388 HydrophobicContact CG2-CD1 4.04Å; T384-I388 WeakPolarHBondContact O-CG1 3.44Å; T384-I388 PolarHBondContact O-N 3.49Å
385L98.6Very high98.1Very high4 Ų429.6 Ų29.62%0.02119%0.187CC..Hα-helixtrans-57.8-46.8171.9-68.5172.4000111.2V353 L372 C381 C382 T387 I388 M389 L400 I413V353-L385 HydrophobicContact CG1-CD2 3.74Å; V353-L385 HydrophobicContact CG1-CG 3.99Å; L372-L385 HydrophobicContact CD1-CD2 4.11Å; C381-L385 PolarHBondContact O-N 2.81Å; C382-L385 PolarHBondContact O-N 3.5Å; L385-T387 VanDerWaalsContact C-N 3.29Å; L385-T387 PolarHBondContact O-N 2.77Å; L385-I388 WeakPolarHBondContact O-CB 3.46Å; L385-I388 PolarHBondContact O-N 3.28Å; L385-M389 VanDerWaalsContact O-CG 3.23Å; L385-M389 WeakPolarHBondContact O-CG 3.32Å; L385-M389 PolarHBondContact O-N 3.29Å; L385-L400 HydrophobicContact CD1-CD1 4.05Å; L385-L400 HydrophobicContact CD1-CD2 3.82Å; L385-I413 HydrophobicContact CB-CD1 3.89Å; L385-I413 HydrophobicContact CD1-CD1 4.43Å
386A98.6Very high98.1Very high14 Ų1431.4 Ų31.412%0.11620%0.198CC..Hα-helixtrans-54.4-44.2174.600000112.2C382 T384 M389 V390 A416C382-A386 WeakPolarHBondContact O-CB 3.17Å; C382-A386 PolarHBondContact O-N 3.16Å; T384-A386 VanDerWaalsContact C-N 3.34Å; T384-A386 PolarHBondContact O-N 3.42Å; A386-M389 PolarHBondContact O-N 3.32Å; A386-V390 WeakPolarHBondContact O-CG2 3.33Å; A386-V390 PolarHBondContact O-N 2.96Å; A386-A416 HydrophobicContact CB-CB 3.65Å
387T98.6Very high98.2Very high55 Ų5529 Ų2934%0.33718%0.184SC..Hα-helixtrans-61.7-44.3175.7-60.30000111.5L361 P383 T384 L385 A391L361-T387 HydrophobicContact CD1-CG2 4.37Å; P383-T387 PolarHBondContact O-N 2.86Å; P383-T387 PolarHBondContact O-OG1 3.45Å; T384-T387 WeakPolarHBondContact O-CB 3.47Å; T384-T387 PolarHBondContact O-N 2.82Å; L385-T387 VanDerWaalsContact C-N 3.29Å; L385-T387 PolarHBondContact O-N 2.77Å; T387-A391 VanDerWaalsContact O-CB 3.25Å; T387-A391 WeakPolarHBondContact O-CB 3.43Å; T387-A391 PolarHBondContact O-N 3.24Å
388I98.6Very high98.2Very high5 Ų529 Ų293%0.02618%0.184CC..Hα-helixtrans-63.4-49.6179.1-67.1160.6000110.3L360 L361 T384 L385 V390 A391 K392 L395L360-I388 HydrophobicContact CB-CD1 4.32Å; L360-I388 HydrophobicContact CB-CG1 4.49Å; L360-I388 HydrophobicContact CB-CG2 4.37Å; L360-I388 HydrophobicContact CD1-CD1 3.85Å; L361-I388 HydrophobicContact CD2-CG1 4.11Å; L361-I388 HydrophobicContact CG-CG1 4.28Å; T384-I388 HydrophobicContact CG2-CD1 4.04Å; T384-I388 WeakPolarHBondContact O-CG1 3.44Å; T384-I388 PolarHBondContact O-N 3.49Å; L385-I388 WeakPolarHBondContact O-CB 3.46Å; L385-I388 PolarHBondContact O-N 3.28Å; I388-V390 VanDerWaalsContact C-N 3.28Å; I388-V390 PolarHBondContact O-N 3.26Å; I388-A391 PolarHBondContact O-N 3.22Å; I388-A391 VanDerWaalsContact O-N 3.14Å; I388-K392 HydrophobicContact CG2-CB 4.43Å; I388-K392 HydrophobicContact CG2-CG 4.18Å; I388-K392 VanDerWaalsContact O-CB 3.28Å; I388-K392 WeakPolarHBondContact O-CB 3.28Å; I388-K392 PolarHBondContact O-N 3.14Å; I388-L395 HydrophobicContact CG2-CD2 4.23Å
389M98.4Very high98.2Very high3 Ų327.5 Ų27.52%0.01518%0.175CC..Hα-helixtrans-55.3-41-179.7-68.9165.263.200112.9L385 A386 L398 I413 A416 L417 L424L385-M389 VanDerWaalsContact O-CG 3.23Å; L385-M389 WeakPolarHBondContact O-CG 3.32Å; L385-M389 PolarHBondContact O-N 3.29Å; A386-M389 PolarHBondContact O-N 3.32Å; M389-L398 HydrophobicContact CG-CD2 4.14Å; M389-L398 HydrophobicContact SD-CD2 4.03Å; M389-I413 HydrophobicContact CE-CG2 4.01Å; M389-I413 HydrophobicContact SD-CD1 3.95Å; M389-I413 HydrophobicContact SD-CG2 4.27Å; M389-A416 HydrophobicContact CB-CB 4.38Å; M389-A416 HydrophobicContact CE-CB 4.1Å; M389-A416 HydrophobicContact SD-CB 4.29Å; M389-L417 HydrophobicContact CE-CD2 3.37Å; M389-L417 HydrophobicContact CE-CG 3.58Å; M389-L424 HydrophobicContact CE-CD2 4.07Å
390V98.3Very high98.2Very high32 Ų3226.7 Ų26.719%0.19417%0.167CC..Hα-helixtrans-76.2-37.5179.4176.10000111.7A386 I388 Q393 A416 N419 N421A386-V390 WeakPolarHBondContact O-CG2 3.33Å; A386-V390 PolarHBondContact O-N 2.96Å; I388-V390 VanDerWaalsContact C-N 3.28Å; I388-V390 PolarHBondContact O-N 3.26Å; V390-Q393 PolarHBondContact O-NE2 3.25Å; V390-A416 HydrophobicContact CG2-CB 3.96Å; V390-N419 HydrophobicContact CG1-CB 4.44Å; V390-N419 HydrophobicContact CG2-CB 3.82Å; V390-N421 HydrophobicContact CG1-CB 4.04Å
391A97.6Very high98.2Very high55 Ų5523.4 Ų23.446%0.45514%0.141SC..Hα-helixtrans-80.1-33.5-176.200000113.3L361 T387 I388 Q393L361-A391 HydrophobicContact CD2-CB 3.54Å; T387-A391 VanDerWaalsContact O-CB 3.25Å; T387-A391 WeakPolarHBondContact O-CB 3.43Å; T387-A391 PolarHBondContact O-N 3.24Å; I388-A391 PolarHBondContact O-N 3.22Å; I388-A391 VanDerWaalsContact O-N 3.14Å; A391-Q393 PolarHBondContact O-N 3.1Å
392K96.5Very high98.2Very high21 Ų2129 Ų299%0.09116%0.162CC..  trans-96.793.7-171.9-76.6-76.5140.7150.90112.2L360 L361 H362 C365 I388 C394 L395L360-K392 WeakPolarHBondContact O-CD 3.28Å; L360-K392 WeakPolarHBondContact O-CE 3.43Å; L360-K392 WeakPolarHBondContact O-CG 3.37Å; L360-K392 PolarHBondContact O-NZ 3.38Å; L361-K392 HydrophobicContact CD2-CG 4.47Å; L361-K392 VanDerWaalsContact O-CE 3.29Å; L361-K392 WeakPolarHBondContact O-CE 3.32Å; L361-K392 PolarHBondContact O-NZ 2.56Å; H362-K392 PolarHBondContact O-NZ 3.13Å; C365-K392 PolarHBondContact O-NZ 3.45Å; I388-K392 HydrophobicContact CG2-CB 4.43Å; I388-K392 HydrophobicContact CG2-CG 4.18Å; I388-K392 VanDerWaalsContact O-CB 3.28Å; I388-K392 WeakPolarHBondContact O-CB 3.28Å; I388-K392 PolarHBondContact O-N 3.14Å; K392-C394 PolarHBondContact O-N 3.08Å; K392-L395 HydrophobicContact CB-CB 4.07Å; K392-L395 PolarHBondContact O-N 2.63Å; K392-L395 VanDerWaalsContact O-N 3.16Å
393Q96Very high98.2Very high93 Ų9329.3 Ų29.344%0.43516%0.164SC..THydrogen-bonded Turntrans-66.8-19.2179.3-53.9-56.9-71.500113.7V390 A391 N421 K423V390-Q393 PolarHBondContact O-NE2 3.25Å; A391-Q393 PolarHBondContact O-N 3.1Å; Q393-N421 PolarHBondContact NE2-O 3.48Å; Q393-N421 PolarHBondContact OE1-O 3.08Å; Q393-N421 VanDerWaalsContact OE1-O 3.1Å; Q393-K423 HydrophobicContact CB-CG 4.36Å; Q393-K423 VanDerWaalsContact OE1-CE 3.26Å
394C96.8Very high98.2Very high37 Ų3730.9 Ų30.925%0.2517%0.172CC..THydrogen-bonded Turntrans-80.8-21.7176.648.40000113.1Q368 K392 T396Q368-C394 VanDerWaalsContact CA-O 3.31Å; Q368-C394 WeakPolarHBondContact CA-O 3.43Å; Q368-C394 WeakPolarHBondContact CG-O 3.46Å; K392-C394 PolarHBondContact O-N 3.08Å; C394-T396 PolarHBondContact O-N 3Å
395L98.4Very high98.1Very high6 Ų630.4 Ų30.43%0.03117%0.169CC..  trans-76.2110.1-179.1-175.170000109.7I367 L370 I388 K392 E397 L424I367-L395 HydrophobicContact CG2-CD1 4.28Å; L370-L395 HydrophobicContact CB-CD1 4.06Å; I388-L395 HydrophobicContact CG2-CD2 4.23Å; K392-L395 HydrophobicContact CB-CB 4.07Å; K392-L395 PolarHBondContact O-N 2.63Å; K392-L395 VanDerWaalsContact O-N 3.16Å; L395-E397 WeakPolarHBondContact CD1-O 3.14Å; L395-L424 HydrophobicContact CD2-CD1 4.28Å; L395-L424 HydrophobicContact CG-CD1 3.93Å
396T98.3Very high98Very high37 Ų3735.9 Ų35.923%0.22720%0.195CC..  trans-110.8-19-178.550.40000112.6Q368 C394 Q425 Q426Q368-T396 PolarHBondContact O-N 3.16Å; Q368-T396 PolarHBondContact O-OG1 2.87Å; C394-T396 PolarHBondContact O-N 3Å; T396-Q425 HydrophobicContact CG2-CG 4.25Å; T396-Q425 WeakPolarHBondContact O-CA 3.25Å; T396-Q425 PolarHBondContact O-N 3.17Å; T396-Q426 PolarHBondContact O-N 3.44Å
397E98.9Very high97.9Very high37 Ų3736.8 Ų36.817%0.17320%0.198CC..EExtended strand (participates in β ladder)trans-136.9132.2-178.4-174177.4121.600110.9Q368 S369 L370 W371 L395 Q426Q368-E397 PolarHBondContact O-N 2.81Å; S369-E397 WeakPolarHBondContact CA-O 3.42Å; S369-E397 PolarHBondContact OG-OE1 3.02Å; L370-E397 PolarHBondContact N-O 3.42Å; L370-E397 VanDerWaalsContact N-O 3.13Å; W371-E397 PolarHBondContact NE1-OE1 2.85Å; L395-E397 WeakPolarHBondContact CD1-O 3.14Å; E397-Q426 WeakPolarHBondContact CA-O 3.38Å; E397-Q426 HydrophobicContact CB-CB 4.41Å; E397-Q426 HydrophobicContact CG-CB 4.07Å; E397-Q426 PolarHBondContact OE2-NE2 2.92Å
398L98.8Very high97.8Very high2 Ų240.3 Ų40.31%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-138.7124.3177.7179.963.1000108.7L370 L372 M389 L400 L424 Q426 L427 I428L370-L398 HydrophobicContact CB-CD1 4.21Å; L370-L398 HydrophobicContact CD2-CD1 4.28Å; L370-L398 HydrophobicContact CG-CD1 4.28Å; L370-L398 WeakPolarHBondContact O-CA 3.4Å; L370-L398 WeakPolarHBondContact O-CD1 3.44Å; L372-L398 HydrophobicContact CD1-CD1 4.45Å; M389-L398 HydrophobicContact CG-CD2 4.14Å; M389-L398 HydrophobicContact SD-CD2 4.03Å; L398-L400 HydrophobicContact CD1-CD2 4.01Å; L398-L400 HydrophobicContact CD1-CG 4.49Å; L398-L400 HydrophobicContact CD2-CD1 4.1Å; L398-L400 HydrophobicContact CD2-CD2 4.26Å; L398-L400 HydrophobicContact CD2-CG 4.17Å; L398-L400 HydrophobicContact CG-CD1 4.46Å; L398-L400 HydrophobicContact CG-CD2 4.05Å; L398-L400 HydrophobicContact CG-CG 4Å; L398-L424 HydrophobicContact CB-CD1 3.89Å; L398-L424 HydrophobicContact CB-CD2 4.13Å; L398-Q426 PolarHBondContact N-O 3.06Å; L398-Q426 VanDerWaalsContact N-O 3.07Å; L398-L427 HydrophobicContact CB-CD1 4.17Å; L398-L427 HydrophobicContact CD2-CD1 4.2Å; L398-L427 HydrophobicContact CG-CD1 4.21Å; L398-L427 WeakPolarHBondContact O-CA 2.97Å; L398-L427 WeakPolarHBondContact O-CD1 3.36Å; L398-I428 PolarHBondContact O-N 3.29Å
399D98.9Very high97.8Very high15 Ų1540.1 Ų40.18%0.0821%0.209CC..EExtended strand (participates in β ladder)trans-107.7121.8172.617619.4000110.1L370 W371 L372 G373 S401 I428L370-D399 PolarHBondContact O-N 3.42Å; W371-D399 HydrophobicContact CB-CB 3.97Å; W371-D399 HydrophobicContact CD2-CB 4.05Å; W371-D399 HydrophobicContact CG-CB 3.73Å; L372-D399 CarbonylContact C-O 3.41Å; L372-D399 WeakPolarHBondContact CA-O 3.39Å; L372-D399 PolarHBondContact N-O 3.29Å; G373-D399 PolarHBondContact N-O 3.32Å; D399-S401 WeakPolarHBondContact OD1-CB 3.37Å; D399-S401 PolarHBondContact OD1-N 2.7Å; D399-S401 PolarHBondContact OD1-OG 3.15Å; D399-I428 HydrophobicContact CB-CB 3.99Å; D399-I428 HydrophobicContact CB-CD1 4.19Å; D399-I428 HydrophobicContact CB-CG1 4.45Å
400L98.8Very high97.8Very high0 Ų040 Ų400%021%0.208CC..  trans-121.312.9176.1-55.9177.2000112.3L372 L377 L385 L398 N403 L405 I413 L427 I428 L429 I432L372-L400 HydrophobicContact CB-CD2 4.19Å; L372-L400 HydrophobicContact CD1-CD2 4.37Å; L377-L400 HydrophobicContact CD1-CD2 4.33Å; L385-L400 HydrophobicContact CD1-CD1 4.05Å; L385-L400 HydrophobicContact CD1-CD2 3.82Å; L398-L400 HydrophobicContact CD1-CD2 4.01Å; L398-L400 HydrophobicContact CD1-CG 4.49Å; L398-L400 HydrophobicContact CD2-CD1 4.1Å; L398-L400 HydrophobicContact CD2-CD2 4.26Å; L398-L400 HydrophobicContact CD2-CG 4.17Å; L398-L400 HydrophobicContact CG-CD1 4.46Å; L398-L400 HydrophobicContact CG-CD2 4.05Å; L398-L400 HydrophobicContact CG-CG 4Å; L400-N403 WeakPolarHBondContact O-CB 3.47Å; L400-N403 PolarHBondContact O-ND2 3.34Å; L400-L405 HydrophobicContact CB-CD1 4.03Å; L400-L405 HydrophobicContact CD1-CD1 3.85Å; L400-I413 HydrophobicContact CD1-CD1 4.31Å; L400-L427 HydrophobicContact CD1-CD1 4.28Å; L400-L427 HydrophobicContact CG-CD1 4.47Å; L400-I428 PolarHBondContact N-O 3.42Å; L400-L429 HydrophobicContact CB-CD2 4.15Å; L400-I432 WeakPolarHBondContact O-CD1 3.29Å
401S98.8Very high97.8Very high2 Ų242.8 Ų42.81%0.01422%0.216CC..THydrogen-bonded Turntrans-49.7153.3-176.7-55.80000112.7G373 N374 D399 N403 I428 Y430G373-S401 CarbonylContact C-O 3.26Å; G373-S401 WeakPolarHBondContact CA-O 3.5Å; N374-S401 PolarHBondContact N-O 3.45Å; D399-S401 WeakPolarHBondContact OD1-CB 3.37Å; D399-S401 PolarHBondContact OD1-N 2.7Å; D399-S401 PolarHBondContact OD1-OG 3.15Å; S401-N403 PolarHBondContact O-N 3.22Å; S401-N403 VanDerWaalsContact O-N 3.09Å; S401-N403 PolarHBondContact O-ND2 2.89Å; S401-I428 PolarHBondContact N-O 3.03Å; S401-I428 WeakPolarHBondContact OG-CG2 3Å; S401-Y430 CarbonylContact C-O 3.56Å; S401-Y430 VanDerWaalsContact CA-O 3.29Å; S401-Y430 WeakPolarHBondContact CA-O 3.35Å; S401-Y430 WeakPolarHBondContact CB-O 3.29Å; S401-Y430 PolarHBondContact OG-N 3.4Å
402Y98.4Very high97.8Very high121 Ų12143.5 Ų43.548%0.47521%0.209SC..THydrogen-bonded Turntrans59.620.5175.5-51.4-82.9000115.3Y430 D431Y402-Y430 PolarHBondContact N-O 3.28Å; Y402-D431 HydrophobicContact CD1-CB 3.54Å; Y402-D431 HydrophobicContact CE1-CB 3.4Å; Y402-D431 VanDerWaalsContact CE1-CB 3.4Å; Y402-D431 WeakPolarHBondContact CE1-OD2 3.3Å; Y402-D431 HydrophobicContact CG-CB 4.39Å; Y402-D431 PolarHBondContact OH-OD2 3.18Å
403N98.6Very high97.9Very high5 Ų542.5 Ų42.53%0.02720%0.204CC..  trans-105154.4172.9-71-72.4000111.6L372 N374 C375 D376 L377 L400 S401 L405L372-N403 PolarHBondContact O-ND2 3.46Å; N374-N403 PolarHBondContact N-ND2 2.69Å; C375-N403 PolarHBondContact N-OD1 2.97Å; D376-N403 PolarHBondContact N-OD1 2.79Å; L377-N403 HydrophobicContact CB-CB 3.97Å; L377-N403 WeakPolarHBondContact CB-OD1 3.5Å; L377-N403 WeakPolarHBondContact CG-OD1 3.29Å; L377-N403 PolarHBondContact N-OD1 3.25Å; L400-N403 WeakPolarHBondContact O-CB 3.47Å; L400-N403 PolarHBondContact O-ND2 3.34Å; S401-N403 PolarHBondContact O-N 3.22Å; S401-N403 VanDerWaalsContact O-N 3.09Å; S401-N403 PolarHBondContact O-ND2 2.89Å; N403-L405 VanDerWaalsContact C-N 3.35Å; N403-L405 HydrophobicContact CB-CD2 3.86Å; N403-L405 HydrophobicContact CB-CG 4.05Å; N403-L405 PolarHBondContact O-N 3.16Å
404T97.6Very high98Very high94 Ų9438.1 Ų38.158%0.57718%0.184SC*.BIsolated β-bridgetrans-93.363.6-179.753.80000111L377 T378 E406L377-T404 CarbonylContact O-C 3.57Å; L377-T404 PolarHBondContact O-N 3.17Å; L377-T404 VanDerWaalsContact O-N 3.13Å; L377-T404 PolarHBondContact O-OG1 3.05Å; T378-T404 WeakPolarHBondContact CA-O 3.48Å; T404-E406 VanDerWaalsContact C-N 3.31Å; T404-E406 PolarHBondContact O-N 2.91Å
405L97.3Very high98.1Very high0 Ų041.2 Ų41.20%020%0.195CC..  trans-73-22.8-174.4-56.5-174.8000113.9L377 A379 L400 N403 G409 M410 I432L377-L405 HydrophobicContact CB-CD2 3.99Å; A379-L405 WeakPolarHBondContact CA-O 3.43Å; A379-L405 VanDerWaalsContact CB-O 3.27Å; A379-L405 WeakPolarHBondContact CB-O 3.22Å; A379-L405 PolarHBondContact N-O 3.38Å; L400-L405 HydrophobicContact CB-CD1 4.03Å; L400-L405 HydrophobicContact CD1-CD1 3.85Å; N403-L405 VanDerWaalsContact C-N 3.35Å; N403-L405 HydrophobicContact CB-CD2 3.86Å; N403-L405 HydrophobicContact CB-CG 4.05Å; N403-L405 PolarHBondContact O-N 3.16Å; L405-G409 VanDerWaalsContact O-CA 3.32Å; L405-G409 WeakPolarHBondContact O-CA 3.34Å; L405-G409 PolarHBondContact O-N 3.34Å; L405-M410 HydrophobicContact CB-CG 4.47Å; L405-M410 HydrophobicContact CB-SD 4.23Å; L405-M410 HydrophobicContact CD1-SD 3.79Å; L405-I432 HydrophobicContact CD1-CD1 4.02Å; L405-I432 HydrophobicContact CG-CD1 4.42Å
406E95.4Very high98.1Very high120 Ų12041.2 Ų41.256%0.56120%0.195SC*.Hα-helixtrans57.4169.3-174.4-53.3-178179.800113.6T404 E408 G409 M410T404-E406 VanDerWaalsContact C-N 3.31Å; T404-E406 PolarHBondContact O-N 2.91Å; E406-E408 PolarHBondContact O-N 2.84Å; E406-G409 PolarHBondContact O-N 3.17Å; E406-M410 WeakPolarHBondContact O-CG 3.2Å; E406-M410 PolarHBondContact O-N 3.49Å
407D97.8Very high98Very high33 Ų3339.6 Ų39.618%0.17619%0.185CC..Hα-helixtrans-58-34.6176.9-77.121.3000112.4M410 R411 W434 S435 M438D407-M410 PolarHBondContact O-N 3.09Å; D407-R411 VanDerWaalsContact O-CG 3.32Å; D407-R411 WeakPolarHBondContact O-CG 3.16Å; D407-R411 PolarHBondContact O-N 2.83Å; D407-R411 IonicContact OD2-NH2 2.86Å; D407-W434 VanDerWaalsContact OD1-CA 3.3Å; D407-W434 WeakPolarHBondContact OD1-CA 3.35Å; D407-W434 WeakPolarHBondContact OD1-CB 3.17Å; D407-S435 PolarHBondContact OD1-N 3.09Å; D407-S435 WeakPolarHBondContact OD2-CB 3.25Å; D407-S435 PolarHBondContact OD2-OG 3.14Å; D407-M438 HydrophobicContact CB-CE 4.25Å
408E97Very high97.9Very high129 Ų12942.9 Ų42.960%0.60320%0.196SC*.Hα-helixtrans-63.2-47.6179-177.2176.9174.100111.7A379 E406 R411 K412A379-E408 HydrophobicContact CB-CB 4.33Å; E406-E408 PolarHBondContact O-N 2.84Å; E408-R411 PolarHBondContact O-N 3.34Å; E408-K412 PolarHBondContact O-N 3.43Å
409G97.9Very high97.8Very high0 Ų045.3 Ų45.30%021%0.209CC..Hα-helixtrans-64.5-44.4176.500000111.7C382 L405 E406 R411 K412 I413C382-G409 WeakPolarHBondContact CB-O 3.4Å; C382-G409 WeakPolarHBondContact SG-CA 3.45Å; L405-G409 VanDerWaalsContact O-CA 3.32Å; L405-G409 WeakPolarHBondContact O-CA 3.34Å; L405-G409 PolarHBondContact O-N 3.34Å; E406-G409 PolarHBondContact O-N 3.17Å; G409-R411 VanDerWaalsContact C-N 3.34Å; G409-R411 PolarHBondContact O-N 3.32Å; G409-K412 WeakPolarHBondContact O-CB 3.47Å; G409-K412 PolarHBondContact O-N 3.45Å; G409-I413 PolarHBondContact O-N 2.85Å; G409-I413 VanDerWaalsContact O-N 3.09Å
410M98.1Very high97.6Very high0 Ų049.2 Ų49.20%024%0.235CC..Hα-helixtrans-60.8-39.4178.4-70.9-50.3-56.900112.8L405 E406 D407 K412 I413 C414 L429 W434 M438 L442L405-M410 HydrophobicContact CB-CG 4.47Å; L405-M410 HydrophobicContact CB-SD 4.23Å; L405-M410 HydrophobicContact CD1-SD 3.79Å; E406-M410 WeakPolarHBondContact O-CG 3.2Å; E406-M410 PolarHBondContact O-N 3.49Å; D407-M410 PolarHBondContact O-N 3.09Å; M410-K412 VanDerWaalsContact C-N 3.28Å; M410-K412 PolarHBondContact O-N 2.74Å; M410-I413 PolarHBondContact O-N 3.4Å; M410-I413 VanDerWaalsContact O-N 3.13Å; M410-C414 PolarHBondContact O-N 3.01Å; M410-C414 PolarHBondContact O-SG 3.29Å; M410-C414 VanDerWaalsContact O-SG 3.32Å; M410-L429 HydrophobicContact CE-CD1 3.47Å; M410-L429 VanDerWaalsContact CE-CD1 3.47Å; M410-L429 HydrophobicContact CE-CD2 4.06Å; M410-L429 HydrophobicContact CE-CG 4.43Å; M410-L429 HydrophobicContact SD-CD2 4.29Å; M410-W434 HydrophobicContact CG-CE3 4.33Å; M410-M438 HydrophobicContact CB-CG 3.99Å; M410-M438 HydrophobicContact CB-SD 3.73Å; M410-L442 HydrophobicContact CE-CD2 4.26Å
411R98Very high97.5Very high92 Ų9253.6 Ų53.635%0.34726%0.258SS..Hα-helixtrans-58.2-39.7172.8-74-178.8-165.9106.60.7112.3D407 E408 G409 C414 E415 M438D407-R411 VanDerWaalsContact O-CG 3.32Å; D407-R411 WeakPolarHBondContact O-CG 3.16Å; D407-R411 PolarHBondContact O-N 2.83Å; D407-R411 IonicContact OD2-NH2 2.86Å; E408-R411 PolarHBondContact O-N 3.34Å; G409-R411 VanDerWaalsContact C-N 3.34Å; G409-R411 PolarHBondContact O-N 3.32Å; R411-C414 PolarHBondContact O-N 3.12Å; R411-E415 WeakPolarHBondContact O-CB 3.37Å; R411-E415 WeakPolarHBondContact O-CG 3.25Å; R411-E415 PolarHBondContact O-N 3.41Å; R411-M438 HydrophobicContact CG-CE 3.39Å; R411-M438 HydrophobicContact CG-SD 4.45Å
412K98.4Very high97.4Very high70 Ų7053.9 Ų53.930%0.30426%0.261SS..Hα-helixtrans-65.9-38.7177.1-68.2-73.3157.9-131.70112.2C382 E408 G409 M410 E415 A416C382-K412 HydrophobicContact CB-CB 3.94Å; E408-K412 PolarHBondContact O-N 3.43Å; G409-K412 WeakPolarHBondContact O-CB 3.47Å; G409-K412 PolarHBondContact O-N 3.45Å; M410-K412 VanDerWaalsContact C-N 3.28Å; M410-K412 PolarHBondContact O-N 2.74Å; K412-E415 IonicContact NZ-OE1 4Å; K412-E415 PolarHBondContact NZ-OE1 3.11Å; K412-E415 IonicContact NZ-OE2 2.89Å; K412-E415 PolarHBondContact NZ-OE2 3.33Å; K412-A416 PolarHBondContact O-N 3.45Å
413I98.4Very high97.4Very high0 Ų052.8 Ų52.80%026%0.258CS..Hα-helixtrans-65.2-46.9173.5-60.5-58.6000110.4C382 L385 M389 L400 G409 M410 E415 A416 L417 L427C382-I413 HydrophobicContact CB-CD1 4.23Å; C382-I413 HydrophobicContact CB-CG1 4.33Å; L385-I413 HydrophobicContact CB-CD1 3.89Å; L385-I413 HydrophobicContact CD1-CD1 4.43Å; M389-I413 HydrophobicContact CE-CG2 4.01Å; M389-I413 HydrophobicContact SD-CD1 3.95Å; M389-I413 HydrophobicContact SD-CG2 4.27Å; L400-I413 HydrophobicContact CD1-CD1 4.31Å; G409-I413 PolarHBondContact O-N 2.85Å; G409-I413 VanDerWaalsContact O-N 3.09Å; M410-I413 PolarHBondContact O-N 3.4Å; M410-I413 VanDerWaalsContact O-N 3.13Å; I413-E415 PolarHBondContact O-N 3.19Å; I413-A416 WeakPolarHBondContact O-CB 3.31Å; I413-A416 PolarHBondContact O-N 3.48Å; I413-A416 VanDerWaalsContact O-N 3.11Å; I413-L417 HydrophobicContact CG2-CD1 3.99Å; I413-L417 HydrophobicContact CG2-CG 4.38Å; I413-L417 WeakPolarHBondContact O-CG 3.44Å; I413-L417 PolarHBondContact O-N 3.01Å; I413-L427 HydrophobicContact CG2-CD2 3.67Å
414C98Very high97.3Very high0 Ų053 Ų530%026%0.259CS..Hα-helixtrans-59.7-41.9176.1-69.10000112.7M410 R411 A416 L417 R418 L445M410-C414 PolarHBondContact O-N 3.01Å; M410-C414 PolarHBondContact O-SG 3.29Å; M410-C414 VanDerWaalsContact O-SG 3.32Å; R411-C414 PolarHBondContact O-N 3.12Å; C414-A416 VanDerWaalsContact C-N 3.32Å; C414-A416 PolarHBondContact O-N 2.89Å; C414-L417 PolarHBondContact O-N 3.37Å; C414-R418 WeakPolarHBondContact O-CG 3.28Å; C414-R418 PolarHBondContact O-N 3.44Å; C414-L445 HydrophobicContact CB-CD2 4.48Å
415E97.9Very high97.3Very high103 Ų10353.6 Ų53.648%0.48126%0.256SS..Hα-helixtrans-56.2-44.8172.5-77.8171.8-158.300111.7R411 K412 I413 R418 N419R411-E415 WeakPolarHBondContact O-CB 3.37Å; R411-E415 WeakPolarHBondContact O-CG 3.25Å; R411-E415 PolarHBondContact O-N 3.41Å; K412-E415 IonicContact NZ-OE1 4Å; K412-E415 PolarHBondContact NZ-OE1 3.11Å; K412-E415 IonicContact NZ-OE2 2.89Å; K412-E415 PolarHBondContact NZ-OE2 3.33Å; I413-E415 PolarHBondContact O-N 3.19Å; E415-R418 PolarHBondContact O-N 3.46Å; E415-N419 PolarHBondContact O-N 3.23Å
416A98.3Very high97.4Very high5 Ų556.6 Ų56.64%0.04127%0.27CS..Hα-helixtrans-66.3-43.8177.100000112.2A386 M389 V390 K412 I413 C414 R418 N419 C422A386-A416 HydrophobicContact CB-CB 3.65Å; M389-A416 HydrophobicContact CB-CB 4.38Å; M389-A416 HydrophobicContact CE-CB 4.1Å; M389-A416 HydrophobicContact SD-CB 4.29Å; V390-A416 HydrophobicContact CG2-CB 3.96Å; K412-A416 PolarHBondContact O-N 3.45Å; I413-A416 WeakPolarHBondContact O-CB 3.31Å; I413-A416 PolarHBondContact O-N 3.48Å; I413-A416 VanDerWaalsContact O-N 3.11Å; C414-A416 VanDerWaalsContact C-N 3.32Å; C414-A416 PolarHBondContact O-N 2.89Å; A416-R418 VanDerWaalsContact C-N 3.31Å; A416-R418 PolarHBondContact O-N 3.31Å; A416-N419 WeakPolarHBondContact O-CB 3.47Å; A416-N419 PolarHBondContact O-N 2.87Å; A416-N419 VanDerWaalsContact O-N 3.08Å; A416-C422 WeakPolarHBondContact O-CB 3.37Å
417L97.8Very high97.5Very high3 Ų350.9 Ų50.92%0.01624%0.243CC..Hα-helixtrans-61.7-37.8177.8-69.4168.2000111.9M389 I413 C414 N419 L424 L427 L445 K449 L452M389-L417 HydrophobicContact CE-CD2 3.37Å; M389-L417 HydrophobicContact CE-CG 3.58Å; I413-L417 HydrophobicContact CG2-CD1 3.99Å; I413-L417 HydrophobicContact CG2-CG 4.38Å; I413-L417 WeakPolarHBondContact O-CG 3.44Å; I413-L417 PolarHBondContact O-N 3.01Å; C414-L417 PolarHBondContact O-N 3.37Å; L417-N419 PolarHBondContact O-N 3.4Å; L417-L424 HydrophobicContact CD2-CB 4.19Å; L417-L424 HydrophobicContact CD2-CD2 3.82Å; L417-L427 HydrophobicContact CD1-CD2 3.72Å; L417-L445 HydrophobicContact CB-CD1 4.38Å; L417-L445 HydrophobicContact CB-CD2 3.73Å; L417-L445 HydrophobicContact CD1-CD2 3.51Å; L417-L445 HydrophobicContact CG-CD2 4.28Å; L417-K449 WeakPolarHBondContact O-CE 3.47Å; L417-K449 PolarHBondContact O-NZ 3.35Å; L417-L452 HydrophobicContact CB-CD2 4.34Å; L417-L452 HydrophobicContact CD1-CD2 4.09Å; L417-L452 HydrophobicContact CD2-CD1 4.1Å; L417-L452 HydrophobicContact CD2-CD2 3.9Å; L417-L452 HydrophobicContact CG-CD2 4.33Å
418R96.5Very high97.6Very high106 Ų10650.1 Ų50.140%0.424%0.239SC..Hα-helixtrans-66.1-22.8175.7-72.2179.1-171.3110.53.7113.4C414 E415 A416 E441 L445C414-R418 WeakPolarHBondContact O-CG 3.28Å; C414-R418 PolarHBondContact O-N 3.44Å; E415-R418 PolarHBondContact O-N 3.46Å; A416-R418 VanDerWaalsContact C-N 3.31Å; A416-R418 PolarHBondContact O-N 3.31Å; R418-E441 IonicContact CZ-OE1 3.92Å; R418-E441 IonicContact NH1-OE1 3.78Å; R418-E441 PolarHBondContact NH1-OE1 3.42Å; R418-E441 VanDerWaalsContact NH2-CD 3.34Å; R418-E441 IonicContact NH2-OE1 2.8Å; R418-E441 PolarHBondContact NH2-OE1 2.89Å; R418-L445 HydrophobicContact CG-CD1 3.58Å
419N96.9Very high97.6Very high53 Ų5344 Ų4428%0.28321%0.21SC..SBendtrans-60.6132.2179.7-164.9-56.7000110.6V390 E415 A416 L417 N421 C422 K449V390-N419 HydrophobicContact CG1-CB 4.44Å; V390-N419 HydrophobicContact CG2-CB 3.82Å; E415-N419 PolarHBondContact O-N 3.23Å; A416-N419 WeakPolarHBondContact O-CB 3.47Å; A416-N419 PolarHBondContact O-N 2.87Å; A416-N419 VanDerWaalsContact O-N 3.08Å; L417-N419 PolarHBondContact O-N 3.4Å; N419-N421 PolarHBondContact O-N 3.2Å; N419-N421 WeakPolarHBondContact OD1-CB 3.49Å; N419-N421 PolarHBondContact OD1-N 3.39Å; N419-C422 HydrophobicContact CB-CB 4.49Å; N419-C422 WeakPolarHBondContact O-CB 3.44Å; N419-C422 PolarHBondContact O-N 3.39Å; N419-K449 PolarHBondContact O-NZ 3.1Å
420P94.8Very high97.6Very high98 Ų9849 Ų4964%0.63623%0.23SC*.THydrogen-bonded Turntrans-65.8-19.6179.926.3-36.1000113.7K423P420-K423 PolarHBondContact O-NZ 2.92Å
421N95.8Very high97.6Very high91 Ų9154.5 Ų54.549%0.48726%0.259SS..THydrogen-bonded Turntrans-81.9-15.9175.4-61.4-26.8000112.5V390 Q393 N419 K423V390-N421 HydrophobicContact CG1-CB 4.04Å; Q393-N421 PolarHBondContact NE2-O 3.48Å; Q393-N421 PolarHBondContact OE1-O 3.08Å; Q393-N421 VanDerWaalsContact OE1-O 3.1Å; N419-N421 PolarHBondContact O-N 3.2Å; N419-N421 WeakPolarHBondContact OD1-CB 3.49Å; N419-N421 PolarHBondContact OD1-N 3.39Å; N421-K423 PolarHBondContact O-N 2.84Å
422C97.1Very high97.5Very high9 Ų950.9 Ų50.96%0.06125%0.246CC..  trans-70.4128.7173.9-1740000109.7A416 N419A416-C422 WeakPolarHBondContact O-CB 3.37Å; N419-C422 HydrophobicContact CB-CB 4.49Å; N419-C422 WeakPolarHBondContact O-CB 3.44Å; N419-C422 PolarHBondContact O-N 3.39Å
423K97Very high97.4Very high97 Ų9756.4 Ų56.442%0.42227%0.271SS..  trans-113.612.3-179.6-58-57176.7-156.10113.6Q393 P420 N421 Q425Q393-K423 HydrophobicContact CB-CG 4.36Å; Q393-K423 VanDerWaalsContact OE1-CE 3.26Å; P420-K423 PolarHBondContact O-NZ 2.92Å; N421-K423 PolarHBondContact O-N 2.84Å; K423-Q425 PolarHBondContact O-N 3.03Å
424L97.9Very high97.2Very high10 Ų1058 Ų585%0.05228%0.277CS..  trans-59.4132.5175.8-157.277.7000109.7M389 L395 L398 L417 Q426 L427M389-L424 HydrophobicContact CE-CD2 4.07Å; L395-L424 HydrophobicContact CD2-CD1 4.28Å; L395-L424 HydrophobicContact CG-CD1 3.93Å; L398-L424 HydrophobicContact CB-CD1 3.89Å; L398-L424 HydrophobicContact CB-CD2 4.13Å; L417-L424 HydrophobicContact CD2-CB 4.19Å; L417-L424 HydrophobicContact CD2-CD2 3.82Å; L424-Q426 WeakPolarHBondContact CG-O 3.45Å; L424-L427 HydrophobicContact CD2-CB 3.88Å; L424-L427 HydrophobicContact CD2-CD1 4.21Å
425Q97.8Very high97.2Very high107 Ų10759.8 Ų59.850%0.529%0.289SS..  trans-107.5-29.9180-62.8178-2.300111.2T396 K423 L452 K453T396-Q425 HydrophobicContact CG2-CG 4.25Å; T396-Q425 WeakPolarHBondContact O-CA 3.25Å; T396-Q425 PolarHBondContact O-N 3.17Å; K423-Q425 PolarHBondContact O-N 3.03Å; Q425-L452 CarbonylContact O-C 3.37Å; Q425-L452 WeakPolarHBondContact O-CA 3.49Å; Q425-K453 PolarHBondContact O-N 3.08Å
426Q98.4Very high97.1Very high63 Ų6359.2 Ų59.229%0.29430%0.297SS..EExtended strand (participates in β ladder)trans-134.4127.5179.8-65.6-171.581.200110.2T396 E397 L398 L424 K453T396-Q426 PolarHBondContact O-N 3.44Å; E397-Q426 WeakPolarHBondContact CA-O 3.38Å; E397-Q426 HydrophobicContact CB-CB 4.41Å; E397-Q426 HydrophobicContact CG-CB 4.07Å; E397-Q426 PolarHBondContact OE2-NE2 2.92Å; L398-Q426 PolarHBondContact N-O 3.06Å; L398-Q426 VanDerWaalsContact N-O 3.07Å; L424-Q426 WeakPolarHBondContact CG-O 3.45Å; Q426-K453 WeakPolarHBondContact CA-O 3.48Å; Q426-K453 HydrophobicContact CG-CB 4.41Å
427L98.4Very high97.1Very high0 Ų065.3 Ų65.30%032%0.324CS..EExtended strand (participates in β ladder)trans-121.8120.8169.3-18062.4000108.6L398 L400 I413 L417 L424 L429 K453 I454 I455L398-L427 HydrophobicContact CB-CD1 4.17Å; L398-L427 HydrophobicContact CD2-CD1 4.2Å; L398-L427 HydrophobicContact CG-CD1 4.21Å; L398-L427 WeakPolarHBondContact O-CA 2.97Å; L398-L427 WeakPolarHBondContact O-CD1 3.36Å; L400-L427 HydrophobicContact CD1-CD1 4.28Å; L400-L427 HydrophobicContact CG-CD1 4.47Å; I413-L427 HydrophobicContact CG2-CD2 3.67Å; L417-L427 HydrophobicContact CD1-CD2 3.72Å; L424-L427 HydrophobicContact CD2-CB 3.88Å; L424-L427 HydrophobicContact CD2-CD1 4.21Å; L427-L429 HydrophobicContact CD1-CD2 4.03Å; L427-L429 HydrophobicContact CD1-CG 4.5Å; L427-L429 HydrophobicContact CD2-CD1 3.9Å; L427-L429 HydrophobicContact CD2-CD2 4.1Å; L427-L429 HydrophobicContact CD2-CG 4.16Å; L427-L429 HydrophobicContact CG-CD1 4.09Å; L427-L429 HydrophobicContact CG-CD2 3.87Å; L427-L429 HydrophobicContact CG-CG 3.84Å; L427-K453 PolarHBondContact N-O 3.05Å; L427-I454 WeakPolarHBondContact O-CA 3.38Å; L427-I455 PolarHBondContact O-N 3.41Å
428I98.8Very high97Very high16 Ų1665.2 Ų65.28%0.08232%0.324CS..EExtended strand (participates in β ladder)trans-107126.1-177.3-45.9174.6000108.6W371 L398 D399 L400 S401 Y430 I455W371-I428 HydrophobicContact CZ2-CD1 4.48Å; L398-I428 PolarHBondContact O-N 3.29Å; D399-I428 HydrophobicContact CB-CB 3.99Å; D399-I428 HydrophobicContact CB-CD1 4.19Å; D399-I428 HydrophobicContact CB-CG1 4.45Å; L400-I428 PolarHBondContact N-O 3.42Å; S401-I428 PolarHBondContact N-O 3.03Å; S401-I428 WeakPolarHBondContact OG-CG2 3Å; I428-Y430 HydrophobicContact CG2-CD2 3.45Å; I428-Y430 VanDerWaalsContact CG2-CD2 3.45Å; I428-Y430 HydrophobicContact CG2-CE2 3.63Å; I428-Y430 HydrophobicContact CG2-CG 4.41Å; I428-I455 CarbonylContact C-O 3.57Å; I428-I455 WeakPolarHBondContact CA-O 3.46Å; I428-I455 HydrophobicContact CG1-CB 4.49Å; I428-I455 HydrophobicContact CG1-CD1 4.34Å; I428-I455 HydrophobicContact CG2-CB 4.37Å; I428-I455 HydrophobicContact CG2-CG2 4.47Å
429L98.2Very high97Very high0 Ų062.4 Ų62.40%032%0.317CS..  trans-139.931-166.9-59.2175.3000112.1L400 M410 L427 D431 I432 W434 I454 I455L400-L429 HydrophobicContact CB-CD2 4.15Å; M410-L429 HydrophobicContact CE-CD1 3.47Å; M410-L429 VanDerWaalsContact CE-CD1 3.47Å; M410-L429 HydrophobicContact CE-CD2 4.06Å; M410-L429 HydrophobicContact CE-CG 4.43Å; M410-L429 HydrophobicContact SD-CD2 4.29Å; L427-L429 HydrophobicContact CD1-CD2 4.03Å; L427-L429 HydrophobicContact CD1-CG 4.5Å; L427-L429 HydrophobicContact CD2-CD1 3.9Å; L427-L429 HydrophobicContact CD2-CD2 4.1Å; L427-L429 HydrophobicContact CD2-CG 4.16Å; L427-L429 HydrophobicContact CG-CD1 4.09Å; L427-L429 HydrophobicContact CG-CD2 3.87Å; L427-L429 HydrophobicContact CG-CG 3.84Å; L429-D431 PolarHBondContact O-N 3.19Å; L429-I432 HydrophobicContact CB-CD1 3.95Å; L429-I432 HydrophobicContact CD2-CD1 3.72Å; L429-I432 HydrophobicContact CG-CD1 4.44Å; L429-W434 HydrophobicContact CB-CH2 3.87Å; L429-W434 HydrophobicContact CB-CZ3 3.88Å; L429-W434 HydrophobicContact CD1-CH2 4.06Å; L429-W434 HydrophobicContact CD1-CZ3 4.01Å; L429-I454 HydrophobicContact CD1-CG2 3.76Å; L429-I455 PolarHBondContact N-O 2.8Å
430Y98.1Very high97Very high106 Ų10664.7 Ų64.742%0.41633%0.329SS..THydrogen-bonded Turntrans-56.1140179.5-70.4-62.9000111.1S401 Y402 I428 I432 I455 S456S401-Y430 CarbonylContact C-O 3.56Å; S401-Y430 VanDerWaalsContact CA-O 3.29Å; S401-Y430 WeakPolarHBondContact CA-O 3.35Å; S401-Y430 WeakPolarHBondContact CB-O 3.29Å; S401-Y430 PolarHBondContact OG-N 3.4Å; Y402-Y430 PolarHBondContact N-O 3.28Å; I428-Y430 HydrophobicContact CG2-CD2 3.45Å; I428-Y430 VanDerWaalsContact CG2-CD2 3.45Å; I428-Y430 HydrophobicContact CG2-CE2 3.63Å; I428-Y430 HydrophobicContact CG2-CG 4.41Å; Y430-I432 VanDerWaalsContact C-N 3.26Å; Y430-I432 PolarHBondContact O-N 3.14Å; Y430-I455 HydrophobicContact CE1-CG2 3.89Å; Y430-I455 HydrophobicContact CE2-CG2 3.78Å; Y430-I455 WeakPolarHBondContact OH-CG2 3.46Å; Y430-S456 VanDerWaalsContact CD1-OXT 3.28Å; Y430-S456 WeakPolarHBondContact CD1-OXT 3.11Å
431D97.4Very high97.1Very high115 Ų11561.9 Ų61.962%0.61531%0.307SS*.THydrogen-bonded Turntrans54.936.9173-67.6-58.6000114.4Y402 L429Y402-D431 HydrophobicContact CD1-CB 3.54Å; Y402-D431 HydrophobicContact CE1-CB 3.4Å; Y402-D431 VanDerWaalsContact CE1-CB 3.4Å; Y402-D431 WeakPolarHBondContact CE1-OD2 3.3Å; Y402-D431 HydrophobicContact CG-CB 4.39Å; Y402-D431 PolarHBondContact OH-OD2 3.18Å; L429-D431 PolarHBondContact O-N 3.19Å
432I96.7Very high97.1Very high16 Ų1658 Ų588%0.08229%0.286CS..  trans-101.2127.9167.3-57-179.2000109L400 L405 L429 Y430 W434L400-I432 WeakPolarHBondContact O-CD1 3.29Å; L405-I432 HydrophobicContact CD1-CD1 4.02Å; L405-I432 HydrophobicContact CG-CD1 4.42Å; L429-I432 HydrophobicContact CB-CD1 3.95Å; L429-I432 HydrophobicContact CD2-CD1 3.72Å; L429-I432 HydrophobicContact CG-CD1 4.44Å; Y430-I432 VanDerWaalsContact C-N 3.26Å; Y430-I432 PolarHBondContact O-N 3.14Å; I432-W434 HydrophobicContact CB-CE3 3.93Å; I432-W434 HydrophobicContact CB-CZ3 3.69Å; I432-W434 HydrophobicContact CG2-CE3 3.72Å; I432-W434 HydrophobicContact CG2-CZ3 3.94Å
433F94.6Very high97Very high187 Ų18764.2 Ų64.282%0.8231%0.309SS*.  trans-85.3124.6176.8-175.4-100.1000111.4
434W95.7Very high96.9Very high33 Ų3362 Ų6213%0.12531%0.309CS..  trans-139.8164.5172.356.165.3000112D407 M410 L429 I432 M438 L442D407-W434 VanDerWaalsContact OD1-CA 3.3Å; D407-W434 WeakPolarHBondContact OD1-CA 3.35Å; D407-W434 WeakPolarHBondContact OD1-CB 3.17Å; M410-W434 HydrophobicContact CG-CE3 4.33Å; L429-W434 HydrophobicContact CB-CH2 3.87Å; L429-W434 HydrophobicContact CB-CZ3 3.88Å; L429-W434 HydrophobicContact CD1-CH2 4.06Å; L429-W434 HydrophobicContact CD1-CZ3 4.01Å; I432-W434 HydrophobicContact CB-CE3 3.93Å; I432-W434 HydrophobicContact CB-CZ3 3.69Å; I432-W434 HydrophobicContact CG2-CE3 3.72Å; I432-W434 HydrophobicContact CG2-CZ3 3.94Å; W434-M438 HydrophobicContact CB-CB 3.78Å; W434-M438 HydrophobicContact CB-CG 3.8Å; W434-M438 HydrophobicContact CG-CB 3.95Å; W434-M438 HydrophobicContact CG-CG 3.92Å; W434-L442 HydrophobicContact CD2-CD1 4.1Å; W434-L442 HydrophobicContact CE3-CD1 4.42Å; W434-L442 HydrophobicContact CH2-CD1 3.94Å; W434-L442 HydrophobicContact CZ2-CD1 3.56Å; W434-L442 HydrophobicContact CZ3-CD1 4.33Å
435S97.2Very high96.7Very high37 Ų3761.6 Ų61.626%0.25931%0.306SS..  trans-73.6164.7178.974.50000113.4D407 E437 M438 D439D407-S435 PolarHBondContact OD1-N 3.09Å; D407-S435 WeakPolarHBondContact OD2-CB 3.25Å; D407-S435 PolarHBondContact OD2-OG 3.14Å; S435-E437 PolarHBondContact O-N 3.3Å; S435-E437 PolarHBondContact OG-N 3.01Å; S435-M438 WeakPolarHBondContact O-CB 3.39Å; S435-M438 PolarHBondContact O-N 3.09Å; S435-M438 PolarHBondContact OG-N 3.37Å; S435-D439 PolarHBondContact O-N 3.14Å; S435-D439 VanDerWaalsContact O-N 3.09Å
436S96.6Very high96.5Very high91 Ų9160 Ų6064%0.63630%0.299SS*.Hα-helixtrans-60.7-30.4173.458.10000113.2M438 D439 D440S436-M438 VanDerWaalsContact C-N 3.27Å; S436-M438 PolarHBondContact O-N 2.97Å; S436-D439 WeakPolarHBondContact O-CB 3.31Å; S436-D439 PolarHBondContact O-N 3.25Å; S436-D440 PolarHBondContact O-N 2.75Å
437E96.8Very high96.3Very high134 Ų13465 Ų6563%0.62632%0.322SS*.Hα-helixtrans-65.2-35.9175.2-64.2-178.2177.400111.1S435 E441S435-E437 PolarHBondContact O-N 3.3Å; S435-E437 PolarHBondContact OG-N 3.01Å; E437-E441 WeakPolarHBondContact O-CB 3.4Å; E437-E441 PolarHBondContact O-N 3.36Å; E437-E441 VanDerWaalsContact O-N 3.1Å
438M97.2Very high96.1Very high0 Ų068.7 Ų68.70%035%0.348CS..Hα-helixtrans-70.4-37.5174.7-165.151.644.500112D407 M410 R411 W434 S435 S436 E441 L442D407-M438 HydrophobicContact CB-CE 4.25Å; M410-M438 HydrophobicContact CB-CG 3.99Å; M410-M438 HydrophobicContact CB-SD 3.73Å; R411-M438 HydrophobicContact CG-CE 3.39Å; R411-M438 HydrophobicContact CG-SD 4.45Å; W434-M438 HydrophobicContact CB-CB 3.78Å; W434-M438 HydrophobicContact CB-CG 3.8Å; W434-M438 HydrophobicContact CG-CB 3.95Å; W434-M438 HydrophobicContact CG-CG 3.92Å; S435-M438 WeakPolarHBondContact O-CB 3.39Å; S435-M438 PolarHBondContact O-N 3.09Å; S435-M438 PolarHBondContact OG-N 3.37Å; S436-M438 VanDerWaalsContact C-N 3.27Å; S436-M438 PolarHBondContact O-N 2.97Å; M438-E441 WeakPolarHBondContact CE-OE2 3.49Å; M438-E441 WeakPolarHBondContact O-CB 3.49Å; M438-E441 PolarHBondContact O-N 3.15Å; M438-E441 VanDerWaalsContact O-N 3.16Å; M438-E441 HydrophobicContact SD-CB 4.33Å; M438-L442 HydrophobicContact CG-CD1 4.46Å; M438-L442 WeakPolarHBondContact O-CG 3.5Å; M438-L442 PolarHBondContact O-N 2.73Å
439D96.2Very high95.9Very high48 Ų4869.3 Ų69.326%0.25735%0.35SS..Hα-helixtrans-59.9-46.7175-165.467.7000111.5S435 S436 E441 L442 R443S435-D439 PolarHBondContact O-N 3.14Å; S435-D439 VanDerWaalsContact O-N 3.09Å; S436-D439 WeakPolarHBondContact O-CB 3.31Å; S436-D439 PolarHBondContact O-N 3.25Å; D439-E441 VanDerWaalsContact C-N 3.28Å; D439-E441 PolarHBondContact O-N 3.34Å; D439-L442 PolarHBondContact O-N 2.89Å; D439-R443 WeakPolarHBondContact O-CG 3.26Å; D439-R443 PolarHBondContact O-N 2.86Å; D439-R443 IonicContact OD2-CZ 2.83Å; D439-R443 IonicContact OD2-NE 2.8Å; D439-R443 PolarHBondContact OD2-NE 3.5Å; D439-R443 VanDerWaalsContact OD2-NE 3.1Å; D439-R443 IonicContact OD2-NH2 3.19Å; D439-R443 PolarHBondContact OD2-NH2 2.95Å
440D96.5Very high95.5Very high100 Ų10074.5 Ų74.554%0.53538%0.384SS..Hα-helixtrans-61-38.7174.4-72-27.1000111.5S436 A444S436-D440 PolarHBondContact O-N 2.75Å; D440-A444 WeakPolarHBondContact O-CB 3.47Å; D440-A444 PolarHBondContact O-N 3.3Å
441E96.4Very high95.2Very high40 Ų4075.2 Ų75.219%0.18739%0.391CS..Hα-helixtrans-64.5-42177.5-170.8175172.200112.6R418 E437 M438 D439 L445R418-E441 IonicContact CZ-OE1 3.92Å; R418-E441 IonicContact NH1-OE1 3.78Å; R418-E441 PolarHBondContact NH1-OE1 3.42Å; R418-E441 VanDerWaalsContact NH2-CD 3.34Å; R418-E441 IonicContact NH2-OE1 2.8Å; R418-E441 PolarHBondContact NH2-OE1 2.89Å; E437-E441 WeakPolarHBondContact O-CB 3.4Å; E437-E441 PolarHBondContact O-N 3.36Å; E437-E441 VanDerWaalsContact O-N 3.1Å; M438-E441 WeakPolarHBondContact CE-OE2 3.49Å; M438-E441 WeakPolarHBondContact O-CB 3.49Å; M438-E441 PolarHBondContact O-N 3.15Å; M438-E441 VanDerWaalsContact O-N 3.16Å; M438-E441 HydrophobicContact SD-CB 4.33Å; D439-E441 VanDerWaalsContact C-N 3.28Å; D439-E441 PolarHBondContact O-N 3.34Å; E441-L445 WeakPolarHBondContact O-CB 3.49Å; E441-L445 PolarHBondContact O-N 3.47Å
442L95.8Very high95.1Very high8 Ų870.1 Ų70.14%0.04236%0.363CS..Hα-helixtrans-67.5-43.4177.5-69.8169.6000111.4M410 W434 M438 D439 A444 L445 E446 I454M410-L442 HydrophobicContact CE-CD2 4.26Å; W434-L442 HydrophobicContact CD2-CD1 4.1Å; W434-L442 HydrophobicContact CE3-CD1 4.42Å; W434-L442 HydrophobicContact CH2-CD1 3.94Å; W434-L442 HydrophobicContact CZ2-CD1 3.56Å; W434-L442 HydrophobicContact CZ3-CD1 4.33Å; M438-L442 HydrophobicContact CG-CD1 4.46Å; M438-L442 WeakPolarHBondContact O-CG 3.5Å; M438-L442 PolarHBondContact O-N 2.73Å; D439-L442 PolarHBondContact O-N 2.89Å; L442-A444 PolarHBondContact O-N 3Å; L442-L445 WeakPolarHBondContact O-CA 3.43Å; L442-L445 VanDerWaalsContact O-CB 3.3Å; L442-L445 WeakPolarHBondContact O-CB 3.48Å; L442-L445 PolarHBondContact O-N 3.46Å; L442-L445 VanDerWaalsContact O-N 3.09Å; L442-E446 PolarHBondContact O-N 3.23Å; L442-I454 HydrophobicContact CB-CD1 4.48Å; L442-I454 HydrophobicContact CD2-CD1 3.86Å
443R94.7Very high95.1Very high141 Ų14175.8 Ų75.853%0.53239%0.388SS..Hα-helixtrans-60.6-46.3175.2-70.2179.2-169.8179.46.5112.1D439 L445 E446 E447D439-R443 WeakPolarHBondContact O-CG 3.26Å; D439-R443 PolarHBondContact O-N 2.86Å; D439-R443 IonicContact OD2-CZ 2.83Å; D439-R443 IonicContact OD2-NE 2.8Å; D439-R443 PolarHBondContact OD2-NE 3.5Å; D439-R443 VanDerWaalsContact OD2-NE 3.1Å; D439-R443 IonicContact OD2-NH2 3.19Å; D439-R443 PolarHBondContact OD2-NH2 2.95Å; R443-L445 PolarHBondContact O-N 2.91Å; R443-E446 PolarHBondContact O-N 3.28Å; R443-E447 WeakPolarHBondContact O-CG 3.32Å; R443-E447 PolarHBondContact O-N 3.17Å
444A95.3Very high95.2Very high51 Ų5167.8 Ų67.842%0.42135%0.353SS..Hα-helixtrans-61.2-32175.900000112D440 L442 S448D440-A444 WeakPolarHBondContact O-CB 3.47Å; D440-A444 PolarHBondContact O-N 3.3Å; L442-A444 PolarHBondContact O-N 3Å; A444-S448 WeakPolarHBondContact O-CB 3.31Å; A444-S448 PolarHBondContact O-N 3.06Å; A444-S448 VanDerWaalsContact O-N 3.08Å; A444-S448 PolarHBondContact O-OG 3.14Å
445L94.9Very high95.3Very high0 Ų068.4 Ų68.40%036%0.359CS..Hα-helixtrans-68.3-47.5175.7-174.762.3000111.7C414 L417 R418 E441 L442 R443 E447 S448 K449 L452 I454C414-L445 HydrophobicContact CB-CD2 4.48Å; L417-L445 HydrophobicContact CB-CD1 4.38Å; L417-L445 HydrophobicContact CB-CD2 3.73Å; L417-L445 HydrophobicContact CD1-CD2 3.51Å; L417-L445 HydrophobicContact CG-CD2 4.28Å; R418-L445 HydrophobicContact CG-CD1 3.58Å; E441-L445 WeakPolarHBondContact O-CB 3.49Å; E441-L445 PolarHBondContact O-N 3.47Å; L442-L445 WeakPolarHBondContact O-CA 3.43Å; L442-L445 VanDerWaalsContact O-CB 3.3Å; L442-L445 WeakPolarHBondContact O-CB 3.48Å; L442-L445 PolarHBondContact O-N 3.46Å; L442-L445 VanDerWaalsContact O-N 3.09Å; R443-L445 PolarHBondContact O-N 2.91Å; L445-E447 VanDerWaalsContact C-N 3.32Å; L445-E447 PolarHBondContact O-N 2.89Å; L445-S448 PolarHBondContact O-N 3.3Å; L445-S448 VanDerWaalsContact O-N 3.13Å; L445-S448 PolarHBondContact O-OG 3.02Å; L445-K449 PolarHBondContact O-N 3.02Å; L445-L452 HydrophobicContact CD2-CD2 4.24Å; L445-L452 HydrophobicContact CG-CD2 4.28Å; L445-I454 HydrophobicContact CD2-CD1 4.06Å
446E92.7Very high95Very high75 Ų7571 Ų7135%0.3538%0.377SS..Hα-helixtrans-59.2-41.5175.5-68.5-165.8131.100112.2L442 R443 S448 K449 I454L442-E446 PolarHBondContact O-N 3.23Å; R443-E446 PolarHBondContact O-N 3.28Å; E446-S448 VanDerWaalsContact C-N 3.32Å; E446-S448 PolarHBondContact O-N 3.15Å; E446-K449 CarbonylContact O-C 3.58Å; E446-K449 VanDerWaalsContact O-C 3.26Å; E446-K449 PolarHBondContact O-N 3.03Å; E446-I454 HydrophobicContact CG-CB 4.15Å; E446-I454 HydrophobicContact CG-CD1 3.89Å; E446-I454 HydrophobicContact CG-CG1 3.92Å; E446-I454 WeakPolarHBondContact OE1-CB 3.49Å; E446-I454 PolarHBondContact OE1-N 3.22Å
447E93.6Very high94.9Very high166 Ų16670.1 Ų70.178%0.77636%0.364SS*.Hα-helixtrans-62.7-38.9174.9-71.6-179.7178.700112.2R443 L445R443-E447 WeakPolarHBondContact O-CG 3.32Å; R443-E447 PolarHBondContact O-N 3.17Å; L445-E447 VanDerWaalsContact C-N 3.32Å; L445-E447 PolarHBondContact O-N 2.89Å
448S94.2Very high94.8Very high78 Ų7866.7 Ų66.755%0.54535%0.35SS..Hα-helixtrans-77.5-20.3-179.676.20000114.1A444 L445 E446A444-S448 WeakPolarHBondContact O-CB 3.31Å; A444-S448 PolarHBondContact O-N 3.06Å; A444-S448 VanDerWaalsContact O-N 3.08Å; A444-S448 PolarHBondContact O-OG 3.14Å; L445-S448 PolarHBondContact O-N 3.3Å; L445-S448 VanDerWaalsContact O-N 3.13Å; L445-S448 PolarHBondContact O-OG 3.02Å; E446-S448 VanDerWaalsContact C-N 3.32Å; E446-S448 PolarHBondContact O-N 3.15Å
449K94.4Very high94.6Very high30 Ų3070.4 Ų70.413%0.1337%0.37CS..  trans-137.376.5-176.9-73.1-161.7166.8-154.60110.8L417 N419 L445 E446 E451 L452L417-K449 WeakPolarHBondContact O-CE 3.47Å; L417-K449 PolarHBondContact O-NZ 3.35Å; N419-K449 PolarHBondContact O-NZ 3.1Å; L445-K449 PolarHBondContact O-N 3.02Å; E446-K449 CarbonylContact O-C 3.58Å; E446-K449 VanDerWaalsContact O-C 3.26Å; E446-K449 PolarHBondContact O-N 3.03Å; K449-E451 PolarHBondContact O-N 2.79Å; K449-E451 VanDerWaalsContact O-N 3.09Å; K449-L452 HydrophobicContact CB-CB 4.15Å; K449-L452 WeakPolarHBondContact O-CB 3.47Å; K449-L452 PolarHBondContact O-N 2.89Å
450P90.4Very high94.5Very high108 Ų10871.7 Ų71.770%0.70138%0.376SS*.THydrogen-bonded Turntrans-65-15.9-176.428.1-36.6000113.9L452P450-L452 VanDerWaalsContact C-N 3.32Å
451E92.1Very high94.4Very high122 Ų12269.9 Ų69.957%0.5737%0.366SS*.THydrogen-bonded Turntrans-77.3-14.9173.372-80.1-171.900114.3K449K449-E451 PolarHBondContact O-N 2.79Å; K449-E451 VanDerWaalsContact O-N 3.09Å
452L96.1Very high94.3Very high7 Ų771.9 Ų71.94%0.03738%0.378CS..PPolyproline II helixtrans-96.5126.9176174.669.7000109.2L417 Q425 L445 K449 P450 I454L417-L452 HydrophobicContact CB-CD2 4.34Å; L417-L452 HydrophobicContact CD1-CD2 4.09Å; L417-L452 HydrophobicContact CD2-CD1 4.1Å; L417-L452 HydrophobicContact CD2-CD2 3.9Å; L417-L452 HydrophobicContact CG-CD2 4.33Å; Q425-L452 CarbonylContact O-C 3.37Å; Q425-L452 WeakPolarHBondContact O-CA 3.49Å; L445-L452 HydrophobicContact CD2-CD2 4.24Å; L445-L452 HydrophobicContact CG-CD2 4.28Å; K449-L452 HydrophobicContact CB-CB 4.15Å; K449-L452 WeakPolarHBondContact O-CB 3.47Å; K449-L452 PolarHBondContact O-N 2.89Å; P450-L452 VanDerWaalsContact C-N 3.32Å; L452-I454 HydrophobicContact CD2-CD1 4.25Å; L452-I454 HydrophobicContact CD2-CG1 4.15Å; L452-I454 HydrophobicContact CG-CG1 4.19Å
453K96.9Very high94.2Very high136 Ų13676.5 Ų76.559%0.59140%0.402SS*.EExtended strand (participates in β ladder)trans-101.2125.9167.4-72180175.5179.70109.8Q425 Q426 L427Q425-K453 PolarHBondContact O-N 3.08Å; Q426-K453 WeakPolarHBondContact CA-O 3.48Å; Q426-K453 HydrophobicContact CG-CB 4.41Å; L427-K453 PolarHBondContact N-O 3.05Å
454I96.5Very high94.2Very high19 Ų1971.5 Ų71.510%0.09739%0.392CS..EExtended strand (participates in β ladder)trans-102.5124.3168.4-54.7-178.3000106.9L427 L429 L442 L445 E446 L452L427-I454 WeakPolarHBondContact O-CA 3.38Å; L429-I454 HydrophobicContact CD1-CG2 3.76Å; L442-I454 HydrophobicContact CB-CD1 4.48Å; L442-I454 HydrophobicContact CD2-CD1 3.86Å; L445-I454 HydrophobicContact CD2-CD1 4.06Å; E446-I454 HydrophobicContact CG-CB 4.15Å; E446-I454 HydrophobicContact CG-CD1 3.89Å; E446-I454 HydrophobicContact CG-CG1 3.92Å; E446-I454 WeakPolarHBondContact OE1-CB 3.49Å; E446-I454 PolarHBondContact OE1-N 3.22Å; L452-I454 HydrophobicContact CD2-CD1 4.25Å; L452-I454 HydrophobicContact CD2-CG1 4.15Å; L452-I454 HydrophobicContact CG-CG1 4.19Å
455I96.8Very high94.1Very high46 Ų4673.3 Ų73.324%0.23639%0.39CS..EExtended strand (participates in β ladder)trans-116.1118.1-176.6-54176.9000106.4L427 I428 L429 Y430L427-I455 PolarHBondContact O-N 3.41Å; I428-I455 CarbonylContact C-O 3.57Å; I428-I455 WeakPolarHBondContact CA-O 3.46Å; I428-I455 HydrophobicContact CG1-CB 4.49Å; I428-I455 HydrophobicContact CG1-CD1 4.34Å; I428-I455 HydrophobicContact CG2-CB 4.37Å; I428-I455 HydrophobicContact CG2-CG2 4.47Å; L429-I455 PolarHBondContact N-O 2.8Å; Y430-I455 HydrophobicContact CE1-CG2 3.89Å; Y430-I455 HydrophobicContact CE2-CG2 3.78Å; Y430-I455 WeakPolarHBondContact OH-CG2 3.46Å
456S90.2Very high94Very high92 Ų9279.9 Ų79.964%0.64343%0.425SS*.  trans-143.20-171.761.30000112.9Y430Y430-S456 VanDerWaalsContact CD1-OXT 3.28Å; Y430-S456 WeakPolarHBondContact CD1-OXT 3.11Å

Retrieved 456 of 456 residues in 3658.8 ms (Link to these results)

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