A0A061HYN9_CRIGR Loading...

Tudor domain-containing protein 5

Required during spermiogenesis to participate in the repression transposable elements and prevent their mobilization, which is essential for the germline integrity. Probably acts via the piRNA metabolic process, which mediates the repression of transposable elements during meiosis by forming complexes composed of piRNAs and Piwi proteins and govern the methylation and subsequent repression of transposons. Required for chromatoid body (CB) assembly.

AlphaFold DB , UniProt , Accession A0A061HYN9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Tdrd5, Length 1,043 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
1M46.7Very low76.1Confident154 Ų15474.2 Ų74.276%0.75936%0.362SS*.  0128.60-59.7-170.7-57.800110.5E5 R6M1-E5 WeakPolarHBondContact CA-OE2 3.5Å; M1-E5 HydrophobicContact CB-CB 4.43Å; M1-E5 HydrophobicContact CB-CG 4.29Å; M1-E5 VanDerWaalsContact CB-OE2 3.24Å; M1-E5 WeakPolarHBondContact CB-OE2 3.43Å; M1-E5 HydrophobicContact CG-CG 4.44Å; M1-R6 HydrophobicContact CE-CG 4.35Å
2S65.5Low77.5Confident32 Ų3271.3 Ų71.322%0.22435%0.345CS..  trans-70.7167.3173.866.20000111.3Q4 E5 R6 E550S2-Q4 VanDerWaalsContact C-N 3.31Å; S2-E5 PolarHBondContact N-OE2 2.91Å; S2-E5 VanDerWaalsContact N-OE2 3.11Å; S2-E5 PolarHBondContact O-N 2.94Å; S2-E5 WeakPolarHBondContact OG-CB 3.44Å; S2-E5 PolarHBondContact OG-N 3.38Å; S2-E5 VanDerWaalsContact OG-N 3.1Å; S2-R6 WeakPolarHBondContact O-CG 3.28Å; S2-R6 PolarHBondContact O-N 3.04Å; S2-R6 VanDerWaalsContact O-N 3.16Å; S2-E550 WeakPolarHBondContact CB-O 3.28Å; S2-E550 PolarHBondContact OG-O 3.15Å
3E66.4Low78.5Confident129 Ų12974.9 Ų74.960%0.60336%0.358SS*.Hα-helixtrans-64.4-40.5173.4-176.8161.4-150.800111.1E5 R6 I7E3-E5 VanDerWaalsContact C-N 3.33Å; E3-E5 PolarHBondContact O-N 3.38Å; E3-R6 WeakPolarHBondContact O-CB 3.36Å; E3-R6 PolarHBondContact O-N 2.64Å; E3-R6 VanDerWaalsContact O-N 3.12Å; E3-I7 HydrophobicContact CG-CD1 4.24Å; E3-I7 WeakPolarHBondContact O-CG1 3.23Å; E3-I7 PolarHBondContact O-N 2.71Å
4Q65.7Low79.6Confident32 Ų3272.6 Ų72.615%0.1535%0.346CS..Hα-helixtrans-57.3-43.8173.9-170.974.8-38.200112.6S2 I7 Q8 I47 L48 D551 W553S2-Q4 VanDerWaalsContact C-N 3.31Å; Q4-I7 PolarHBondContact O-N 3.35Å; Q4-Q8 PolarHBondContact O-N 3.02Å; Q4-I47 PolarHBondContact NE2-O 3.21Å; Q4-L48 HydrophobicContact CG-CD2 4.38Å; Q4-D551 HydrophobicContact CB-CB 4.47Å; Q4-D551 HydrophobicContact CG-CB 4.44Å; Q4-W553 VanDerWaalsContact NE2-NE1 3.16Å
5E76.1Confident80.5Confident92 Ų9267.7 Ų67.743%0.4332%0.323SS..Hα-helixtrans-62.2-43.2175.6-172177.7-17200110.9M1 S2 E3 I7 Q8 D9M1-E5 WeakPolarHBondContact CA-OE2 3.5Å; M1-E5 HydrophobicContact CB-CB 4.43Å; M1-E5 HydrophobicContact CB-CG 4.29Å; M1-E5 VanDerWaalsContact CB-OE2 3.24Å; M1-E5 WeakPolarHBondContact CB-OE2 3.43Å; M1-E5 HydrophobicContact CG-CG 4.44Å; S2-E5 PolarHBondContact N-OE2 2.91Å; S2-E5 VanDerWaalsContact N-OE2 3.11Å; S2-E5 PolarHBondContact O-N 2.94Å; S2-E5 WeakPolarHBondContact OG-CB 3.44Å; S2-E5 PolarHBondContact OG-N 3.38Å; S2-E5 VanDerWaalsContact OG-N 3.1Å; E3-E5 VanDerWaalsContact C-N 3.33Å; E3-E5 PolarHBondContact O-N 3.38Å; E5-I7 VanDerWaalsContact C-N 3.35Å; E5-I7 PolarHBondContact O-N 2.64Å; E5-Q8 PolarHBondContact O-N 3.04Å; E5-D9 WeakPolarHBondContact O-CB 3.4Å; E5-D9 PolarHBondContact O-N 3.04Å
6R80.8Confident81.3Confident159 Ų15965.3 Ų65.360%0.631%0.309SS*.Hα-helixtrans-60.7-41174.3-63.1170.9-166.6-168.33.2112.5M1 S2 E3 D9 C10M1-R6 HydrophobicContact CE-CG 4.35Å; S2-R6 WeakPolarHBondContact O-CG 3.28Å; S2-R6 PolarHBondContact O-N 3.04Å; S2-R6 VanDerWaalsContact O-N 3.16Å; E3-R6 WeakPolarHBondContact O-CB 3.36Å; E3-R6 PolarHBondContact O-N 2.64Å; E3-R6 VanDerWaalsContact O-N 3.12Å; R6-D9 PolarHBondContact O-N 2.77Å; R6-C10 VanDerWaalsContact O-CB 3.32Å; R6-C10 WeakPolarHBondContact O-CB 3.47Å; R6-C10 PolarHBondContact O-N 2.96Å
7I83.3Confident81.9Confident57 Ų5764.8 Ų64.829%0.29232%0.315SS..Hα-helixtrans-65.2-47.2177-63.4165.6000109.9E3 Q4 E5 D9 C10 L11 P44 I47 L48E3-I7 HydrophobicContact CG-CD1 4.24Å; E3-I7 WeakPolarHBondContact O-CG1 3.23Å; E3-I7 PolarHBondContact O-N 2.71Å; Q4-I7 PolarHBondContact O-N 3.35Å; E5-I7 VanDerWaalsContact C-N 3.35Å; E5-I7 PolarHBondContact O-N 2.64Å; I7-D9 VanDerWaalsContact C-N 3.29Å; I7-D9 PolarHBondContact O-N 2.88Å; I7-C10 PolarHBondContact O-N 2.87Å; I7-L11 VanDerWaalsContact O-CB 3.28Å; I7-L11 WeakPolarHBondContact O-CB 3.44Å; I7-L11 PolarHBondContact O-N 3.42Å; I7-P44 HydrophobicContact CG2-CG 4.29Å; I7-I47 HydrophobicContact CD1-CG2 4.47Å; I7-L48 HydrophobicContact CB-CD2 4.23Å; I7-L48 HydrophobicContact CG2-CD1 4.42Å; I7-L48 HydrophobicContact CG2-CD2 3.81Å; I7-L48 HydrophobicContact CG2-CG 4.23Å
8Q85.3Confident82.5Confident29 Ų2961.7 Ų61.714%0.13630%0.3CS..Hα-helixtrans-63.1-37.9178.1-168.4170.523.300111.5Q4 E5 L11 R12 L48 D59Q4-Q8 PolarHBondContact O-N 3.02Å; E5-Q8 PolarHBondContact O-N 3.04Å; Q8-L11 PolarHBondContact O-N 3.1Å; Q8-R12 WeakPolarHBondContact O-CB 3.43Å; Q8-R12 WeakPolarHBondContact O-CG 3.49Å; Q8-R12 PolarHBondContact O-N 3.47Å; Q8-L48 HydrophobicContact CB-CD2 4.32Å; Q8-D59 PolarHBondContact NE2-OD2 3.39Å
9D86.6Confident83.1Confident69 Ų6958.7 Ų58.737%0.36929%0.286SS..Hα-helixtrans-77-25.2-178.4-145.553.6000113.3E5 R6 I7 K13E5-D9 WeakPolarHBondContact O-CB 3.4Å; E5-D9 PolarHBondContact O-N 3.04Å; R6-D9 PolarHBondContact O-N 2.77Å; I7-D9 VanDerWaalsContact C-N 3.29Å; I7-D9 PolarHBondContact O-N 2.88Å; D9-K13 VanDerWaalsContact O-CD 3.32Å; D9-K13 WeakPolarHBondContact O-CD 3.5Å; D9-K13 WeakPolarHBondContact O-CE 3.44Å; D9-K13 WeakPolarHBondContact O-CG 3.32Å; D9-K13 PolarHBondContact O-NZ 3.17Å; D9-K13 IonicContact OD2-NZ 3.76Å; D9-K13 PolarHBondContact OD2-NZ 3.5Å
10C89.5Confident83.5Confident62 Ų6256.4 Ų56.442%0.41927%0.274SS..Hα-helixtrans-73.2-49.8167.6-159.20000110R6 I7 R12 K13 E14R6-C10 VanDerWaalsContact O-CB 3.32Å; R6-C10 WeakPolarHBondContact O-CB 3.47Å; R6-C10 PolarHBondContact O-N 2.96Å; I7-C10 PolarHBondContact O-N 2.87Å; C10-R12 VanDerWaalsContact C-N 3.34Å; C10-R12 PolarHBondContact O-N 3.11Å; C10-K13 WeakPolarHBondContact O-CA 3.2Å; C10-K13 WeakPolarHBondContact O-CB 3.5Å; C10-K13 PolarHBondContact O-N 3.25Å; C10-E14 WeakPolarHBondContact O-CG 3.41Å; C10-E14 PolarHBondContact O-N 3.45Å
11L91.8Very high83.8Confident1 Ų156.9 Ų56.91%0.00528%0.284CS..Hα-helixtrans-59.8-39.8179.4-177.262.7000113I7 Q8 K13 E14 I15 Y35 L43 P44 L48 L56I7-L11 VanDerWaalsContact O-CB 3.28Å; I7-L11 WeakPolarHBondContact O-CB 3.44Å; I7-L11 PolarHBondContact O-N 3.42Å; Q8-L11 PolarHBondContact O-N 3.1Å; L11-K13 PolarHBondContact O-N 3.01Å; L11-E14 PolarHBondContact O-N 3.41Å; L11-I15 HydrophobicContact CD1-CD1 3.71Å; L11-I15 HydrophobicContact CD1-CG1 3.85Å; L11-I15 HydrophobicContact CD2-CD1 4.24Å; L11-I15 HydrophobicContact CG-CD1 3.72Å; L11-I15 HydrophobicContact CG-CG1 4.21Å; L11-I15 WeakPolarHBondContact O-CB 3.1Å; L11-I15 WeakPolarHBondContact O-CG1 3.41Å; L11-I15 PolarHBondContact O-N 2.81Å; L11-Y35 HydrophobicContact CD1-CD2 4.12Å; L11-Y35 HydrophobicContact CD1-CE2 3.29Å; L11-L43 HydrophobicContact CD1-CD2 3.73Å; L11-P44 HydrophobicContact CD2-CG 4Å; L11-L48 HydrophobicContact CD2-CD1 3.23Å; L11-L56 HydrophobicContact CD2-CD1 3.78Å; L11-L56 HydrophobicContact CD2-CD2 4Å
12R92.1Very high85.8Confident40 Ų4050.9 Ų50.915%0.15126%0.256CS..Hα-helixtrans-54.5-41.8172.9-82.5-168143.171.51.4111.5Q8 C10 R16 D59 M60 D62 V63Q8-R12 WeakPolarHBondContact O-CB 3.43Å; Q8-R12 WeakPolarHBondContact O-CG 3.49Å; Q8-R12 PolarHBondContact O-N 3.47Å; C10-R12 VanDerWaalsContact C-N 3.34Å; C10-R12 PolarHBondContact O-N 3.11Å; R12-R16 VanDerWaalsContact O-CB 3.29Å; R12-R16 WeakPolarHBondContact O-CB 3.27Å; R12-R16 PolarHBondContact O-N 2.9Å; R12-D59 PolarHBondContact NH2-O 3.38Å; R12-M60 HydrophobicContact CG-CE 4.45Å; R12-D62 IonicContact CZ-OD1 2.75Å; R12-D62 IonicContact CZ-OD2 3.38Å; R12-D62 IonicContact NE-OD1 2.89Å; R12-D62 PolarHBondContact NE-OD1 2.86Å; R12-D62 IonicContact NE-OD2 3.97Å; R12-D62 PolarHBondContact NE-OD2 3.07Å; R12-D62 IonicContact NH2-OD1 3.04Å; R12-D62 PolarHBondContact NH2-OD1 2.91Å; R12-D62 IonicContact NH2-OD2 3.29Å; R12-V63 HydrophobicContact CB-CG2 3.84Å; R12-V63 HydrophobicContact CG-CG2 3.68Å; R12-V63 WeakPolarHBondContact O-CG1 3.09Å
13K91.6Very high86.7Confident118 Ų11852.5 Ų52.551%0.51326%0.259SS..Hα-helixtrans-74-41.9-179-64.2166.6-171.4117.10111.4D9 C10 L11 R16 S17D9-K13 VanDerWaalsContact O-CD 3.32Å; D9-K13 WeakPolarHBondContact O-CD 3.5Å; D9-K13 WeakPolarHBondContact O-CE 3.44Å; D9-K13 WeakPolarHBondContact O-CG 3.32Å; D9-K13 PolarHBondContact O-NZ 3.17Å; D9-K13 IonicContact OD2-NZ 3.76Å; D9-K13 PolarHBondContact OD2-NZ 3.5Å; C10-K13 WeakPolarHBondContact O-CA 3.2Å; C10-K13 WeakPolarHBondContact O-CB 3.5Å; C10-K13 PolarHBondContact O-N 3.25Å; L11-K13 PolarHBondContact O-N 3.01Å; K13-R16 PolarHBondContact O-N 3.29Å; K13-S17 PolarHBondContact O-N 3.24Å
14E92.8Very high87.6Confident42 Ų4250.4 Ų50.420%0.19625%0.252CS..Hα-helixtrans-63.1-50.9177.1-67.8165.5162.100111.3C10 L11 R16 S17 L18 Y35 M38 V39C10-E14 WeakPolarHBondContact O-CG 3.41Å; C10-E14 PolarHBondContact O-N 3.45Å; L11-E14 PolarHBondContact O-N 3.41Å; E14-R16 VanDerWaalsContact C-N 3.34Å; E14-R16 PolarHBondContact O-N 2.8Å; E14-S17 PolarHBondContact O-N 3.11Å; E14-S17 VanDerWaalsContact O-N 3.12Å; E14-S17 PolarHBondContact O-OG 3.12Å; E14-L18 WeakPolarHBondContact O-CG 3.32Å; E14-L18 PolarHBondContact O-N 3.41Å; E14-Y35 HydrophobicContact CB-CE2 4.03Å; E14-Y35 WeakPolarHBondContact OE2-CE2 3.45Å; E14-Y35 PolarHBondContact OE2-OH 2.8Å; E14-M38 HydrophobicContact CB-CE 3.95Å; E14-M38 HydrophobicContact CG-CE 4.32Å; E14-V39 HydrophobicContact CG-CG2 4.49Å
15I94.1Very high88.8Confident0 Ų049.8 Ų49.80%025%0.254CS..Hα-helixtrans-60.8-41.3175.8-69.8178000111.2L11 S17 L18 L19 L31 L43 L56 M60 V63 V64L11-I15 HydrophobicContact CD1-CD1 3.71Å; L11-I15 HydrophobicContact CD1-CG1 3.85Å; L11-I15 HydrophobicContact CD2-CD1 4.24Å; L11-I15 HydrophobicContact CG-CD1 3.72Å; L11-I15 HydrophobicContact CG-CG1 4.21Å; L11-I15 WeakPolarHBondContact O-CB 3.1Å; L11-I15 WeakPolarHBondContact O-CG1 3.41Å; L11-I15 PolarHBondContact O-N 2.81Å; I15-S17 PolarHBondContact O-N 2.58Å; I15-L18 PolarHBondContact O-N 2.89Å; I15-L19 HydrophobicContact CG2-CD1 3.65Å; I15-L19 HydrophobicContact CG2-CG 4.36Å; I15-L19 WeakPolarHBondContact O-CB 3.4Å; I15-L19 WeakPolarHBondContact O-CG 3.44Å; I15-L19 PolarHBondContact O-N 3.28Å; I15-L31 HydrophobicContact CG2-CD2 4.29Å; I15-L43 HydrophobicContact CD1-CD2 4.1Å; I15-L43 HydrophobicContact CG1-CD2 4.39Å; I15-L56 HydrophobicContact CD1-CD2 3.96Å; I15-M60 HydrophobicContact CB-SD 4.49Å; I15-M60 HydrophobicContact CD1-CE 4.06Å; I15-M60 HydrophobicContact CD1-SD 3.94Å; I15-M60 HydrophobicContact CG2-SD 4.13Å; I15-V63 HydrophobicContact CB-CG1 4.44Å; I15-V63 HydrophobicContact CG2-CG1 4.05Å; I15-V64 HydrophobicContact CG2-CG2 3.74Å
16R93.1Very high89.6Confident28 Ų2846 Ų4611%0.10624%0.236CC..Hα-helixtrans-59-46173.3-165.5174.1-81.9128.86.2111.1R12 K13 E14 L18 L19 I20 D62 V63 I79 D81R12-R16 VanDerWaalsContact O-CB 3.29Å; R12-R16 WeakPolarHBondContact O-CB 3.27Å; R12-R16 PolarHBondContact O-N 2.9Å; K13-R16 PolarHBondContact O-N 3.29Å; E14-R16 VanDerWaalsContact C-N 3.34Å; E14-R16 PolarHBondContact O-N 2.8Å; R16-L18 PolarHBondContact O-N 2.95Å; R16-L19 PolarHBondContact O-N 3.15Å; R16-I20 HydrophobicContact CG-CD1 3.69Å; R16-I20 HydrophobicContact CG-CG1 4.21Å; R16-I20 WeakPolarHBondContact O-CB 3.45Å; R16-I20 VanDerWaalsContact O-CG1 3.24Å; R16-I20 WeakPolarHBondContact O-CG1 3.15Å; R16-I20 PolarHBondContact O-N 3.14Å; R16-D62 PolarHBondContact NH2-O 2.9Å; R16-D62 IonicContact NH2-OD2 3.19Å; R16-V63 HydrophobicContact CB-CG1 3.93Å; R16-I79 PolarHBondContact NE-O 3.22Å; R16-D81 WeakPolarHBondContact CD-OD2 3.5Å; R16-D81 IonicContact CZ-OD2 2.92Å; R16-D81 IonicContact NE-OD2 2.79Å; R16-D81 PolarHBondContact NE-OD2 3.28Å; R16-D81 IonicContact NH1-OD2 3.71Å; R16-D81 PolarHBondContact NH1-OD2 3.39Å
17S91.5Very high90.2Very high58 Ų5840.8 Ų40.841%0.40622%0.223SC..Hα-helixtrans-63.1-42.9-179.168.70000113.3K13 E14 I15 S21K13-S17 PolarHBondContact O-N 3.24Å; E14-S17 PolarHBondContact O-N 3.11Å; E14-S17 VanDerWaalsContact O-N 3.12Å; E14-S17 PolarHBondContact O-OG 3.12Å; I15-S17 PolarHBondContact O-N 2.58Å; S17-S21 PolarHBondContact O-N 2.81Å; S17-S21 VanDerWaalsContact O-N 3.15Å
18L92.4Very high90.7Very high9 Ų938.8 Ų38.85%0.04721%0.213CC..Hα-helixtrans-59.7-56.7176-71.6167.6000110.3E14 I15 R16 I20 S21 T22 L31 E34 Y35 M38E14-L18 WeakPolarHBondContact O-CG 3.32Å; E14-L18 PolarHBondContact O-N 3.41Å; I15-L18 PolarHBondContact O-N 2.89Å; R16-L18 PolarHBondContact O-N 2.95Å; L18-I20 VanDerWaalsContact C-N 3.3Å; L18-I20 PolarHBondContact O-N 3.15Å; L18-S21 WeakPolarHBondContact O-CB 3.42Å; L18-S21 PolarHBondContact O-N 3.17Å; L18-S21 PolarHBondContact O-OG 3.16Å; L18-T22 PolarHBondContact O-N 3.25Å; L18-T22 PolarHBondContact O-OG1 3.41Å; L18-L31 HydrophobicContact CB-CD1 4.24Å; L18-L31 HydrophobicContact CD1-CD1 3.93Å; L18-E34 HydrophobicContact CD2-CB 4.09Å; L18-Y35 HydrophobicContact CD1-CD2 3.97Å; L18-Y35 HydrophobicContact CD1-CG 4.39Å; L18-M38 HydrophobicContact CD1-CE 3.96Å; L18-M38 HydrophobicContact CD2-CB 4.06Å; L18-M38 HydrophobicContact CD2-CE 3.97Å; L18-M38 HydrophobicContact CD2-CG 4.42Å; L18-M38 HydrophobicContact CD2-SD 3.55Å; L18-M38 VanDerWaalsContact CD2-SD 3.55Å; L18-M38 HydrophobicContact CG-CE 3.73Å; L18-M38 HydrophobicContact CG-SD 3.89Å
19L93.1Very high91Very high5 Ų543.5 Ų43.53%0.02624%0.235CC..Hα-helixtrans-69.7-21.6-175-67.3174.6000113.9I15 R16 T22 L26 L31 V64 L76 A78I15-L19 HydrophobicContact CG2-CD1 3.65Å; I15-L19 HydrophobicContact CG2-CG 4.36Å; I15-L19 WeakPolarHBondContact O-CB 3.4Å; I15-L19 WeakPolarHBondContact O-CG 3.44Å; I15-L19 PolarHBondContact O-N 3.28Å; R16-L19 PolarHBondContact O-N 3.15Å; L19-T22 PolarHBondContact O-OG1 3.02Å; L19-L26 HydrophobicContact CD2-CB 3.78Å; L19-L26 HydrophobicContact CD2-CD1 3.87Å; L19-L26 HydrophobicContact CD2-CG 3.84Å; L19-L31 HydrophobicContact CD2-CD1 4.27Å; L19-L31 HydrophobicContact CG-CD1 4.22Å; L19-V64 HydrophobicContact CD1-CB 4.34Å; L19-V64 HydrophobicContact CD1-CG1 3.9Å; L19-V64 HydrophobicContact CD1-CG2 3.61Å; L19-L76 HydrophobicContact CD1-CB 4.31Å; L19-L76 HydrophobicContact CD2-CB 3.98Å; L19-A78 HydrophobicContact CB-CB 3.69Å
20I92.2Very high91.3Very high11 Ų1143.2 Ų43.26%0.05623%0.232CC..Hα-helixtrans-77.2-32.3170.4-73.1-174.5000111.7R16 L18 T22 A78 P80 T84 I87 A88 V91R16-I20 HydrophobicContact CG-CD1 3.69Å; R16-I20 HydrophobicContact CG-CG1 4.21Å; R16-I20 WeakPolarHBondContact O-CB 3.45Å; R16-I20 VanDerWaalsContact O-CG1 3.24Å; R16-I20 WeakPolarHBondContact O-CG1 3.15Å; R16-I20 PolarHBondContact O-N 3.14Å; L18-I20 VanDerWaalsContact C-N 3.3Å; L18-I20 PolarHBondContact O-N 3.15Å; I20-T22 PolarHBondContact O-N 2.83Å; I20-A78 HydrophobicContact CB-CB 4.28Å; I20-A78 HydrophobicContact CD1-CB 4.15Å; I20-A78 HydrophobicContact CG1-CB 3.22Å; I20-P80 HydrophobicContact CD1-CB 4.02Å; I20-T84 HydrophobicContact CD1-CG2 4Å; I20-T84 WeakPolarHBondContact CD1-OG1 3.22Å; I20-I87 HydrophobicContact CG2-CB 4.05Å; I20-I87 HydrophobicContact CG2-CG2 3.67Å; I20-A88 HydrophobicContact CG2-CB 4.45Å; I20-V91 WeakPolarHBondContact O-CG2 3.36Å
21S89.2Confident91.5Very high68 Ų6840.3 Ų40.348%0.47621%0.212SC..Hα-helixtrans-67-27177.880.20000112.7S17 L18S17-S21 PolarHBondContact O-N 2.81Å; S17-S21 VanDerWaalsContact O-N 3.15Å; L18-S21 WeakPolarHBondContact O-CB 3.42Å; L18-S21 PolarHBondContact O-N 3.17Å; L18-S21 PolarHBondContact O-OG 3.16Å
22T88.3Confident91.5Very high28 Ų2844 Ų4417%0.17223%0.23CC..  trans-98.6103.6-172.355.40000112.3L18 L19 I20 D24 G25 L26L18-T22 PolarHBondContact O-N 3.25Å; L18-T22 PolarHBondContact O-OG1 3.41Å; L19-T22 PolarHBondContact O-OG1 3.02Å; I20-T22 PolarHBondContact O-N 2.83Å; T22-D24 PolarHBondContact O-N 2.95Å; T22-G25 PolarHBondContact O-N 2.83Å; T22-L26 HydrophobicContact CG2-CD1 4.25Å; T22-L26 HydrophobicContact CG2-CD2 3.56Å; T22-L26 HydrophobicContact CG2-CG 3.91Å
23K85.5Confident91.5Very high66 Ų6647.4 Ų47.429%0.28725%0.245SC..THydrogen-bonded Turntrans-53-49.4-172.6-179.9174.5-174.6163.20115.8V91 A92 Q94K23-V91 HydrophobicContact CB-CG1 3.79Å; K23-V91 HydrophobicContact CG-CG1 4.46Å; K23-A92 VanDerWaalsContact CE-O 3.22Å; K23-A92 WeakPolarHBondContact CE-O 3.18Å; K23-A92 PolarHBondContact NZ-O 2.99Å; K23-Q94 HydrophobicContact CD-CB 4.4Å; K23-Q94 PolarHBondContact NZ-O 2.87Å
24D85.6Confident91.5Very high84 Ų8443.9 Ų43.945%0.44923%0.23SC..THydrogen-bonded Turntrans-93.1-3.7-173.5-63.9-76000112.3T22 I75 K77 R96T22-D24 PolarHBondContact O-N 2.95Å; D24-I75 WeakPolarHBondContact O-CG2 3.14Å; D24-K77 WeakPolarHBondContact O-CE 3.48Å; D24-R96 IonicContact OD1-CZ 3.37Å; D24-R96 IonicContact OD1-NE 2.78Å; D24-R96 IonicContact OD1-NH2 3.93Å; D24-R96 PolarHBondContact OD1-NH2 3.17Å
25G90Very high91.5Very high19 Ų1942.5 Ų42.520%0.19622%0.224CC..  trans96.2176.8-178.800000114.4T22 L76T22-G25 PolarHBondContact O-N 2.83Å; G25-L76 CarbonylContact C-O 3.59Å; G25-L76 WeakPolarHBondContact CA-O 3.19Å
26L93.1Very high91.3Very high12 Ų1245.4 Ų45.46%0.06324%0.239CC..BIsolated β-bridgetrans-121.7150.4179.4-64.1-174.5000112.1L19 T22 Q30 L31 E34 L76L19-L26 HydrophobicContact CD2-CB 3.78Å; L19-L26 HydrophobicContact CD2-CD1 3.87Å; L19-L26 HydrophobicContact CD2-CG 3.84Å; T22-L26 HydrophobicContact CG2-CD1 4.25Å; T22-L26 HydrophobicContact CG2-CD2 3.56Å; T22-L26 HydrophobicContact CG2-CG 3.91Å; L26-Q30 HydrophobicContact CD2-CB 4.48Å; L26-Q30 HydrophobicContact CD2-CG 3.75Å; L26-L31 HydrophobicContact CB-CB 4.46Å; L26-L31 HydrophobicContact CD1-CB 4.21Å; L26-L31 HydrophobicContact CD1-CD1 4.14Å; L26-E34 HydrophobicContact CD1-CB 4.5Å; L26-E34 WeakPolarHBondContact CD1-OE2 3.38Å; L26-L76 PolarHBondContact N-O 3.45Å; L26-L76 WeakPolarHBondContact O-CB 3.49Å; L26-L76 PolarHBondContact O-N 3.45Å
27T93.6Very high91.2Very high51 Ų5150.5 Ų50.531%0.31327%0.267SS..  trans-77.8158.7162.467.40000110.3Q29 Q30 L31T27-Q29 VanDerWaalsContact C-N 3.26Å; T27-Q29 PolarHBondContact O-N 2.88Å; T27-Q29 PolarHBondContact OG1-OE1 3.44Å; T27-Q30 PolarHBondContact O-N 2.84Å; T27-Q30 PolarHBondContact OG1-N 2.82Å; T27-L31 PolarHBondContact O-N 3.3Å
28P93.2Very high91Very high15 Ų1552.1 Ų52.110%0.09727%0.27CS..Hα-helixtrans-53.1-40.4177.7-27.935.3000113.8Q30 L31 E32 T53 M54 L76P28-Q30 VanDerWaalsContact C-N 3.35Å; P28-Q30 PolarHBondContact O-N 2.86Å; P28-L31 PolarHBondContact O-N 3.38Å; P28-E32 PolarHBondContact O-N 2.83Å; P28-T53 HydrophobicContact CB-CG2 4.2Å; P28-M54 HydrophobicContact CG-SD 4.23Å; P28-L76 HydrophobicContact CB-CD1 4.45Å; P28-L76 HydrophobicContact CG-CD1 4.16Å; P28-L76 HydrophobicContact CG-CG 4.37Å
29Q91.6Very high90.6Very high128 Ų12853.6 Ų53.660%0.59828%0.279SS*.Hα-helixtrans-71.3-28.9179.4-52.881.92.700112.8T27 K33T27-Q29 VanDerWaalsContact C-N 3.26Å; T27-Q29 PolarHBondContact O-N 2.88Å; T27-Q29 PolarHBondContact OG1-OE1 3.44Å; Q29-K33 PolarHBondContact O-N 2.89Å
30Q93.2Very high90.1Very high63 Ų6356 Ų5629%0.29431%0.305SS..Hα-helixtrans-78.6-34.2173.9-175.265.914.100110.9L26 T27 P28 K33 E34L26-Q30 HydrophobicContact CD2-CB 4.48Å; L26-Q30 HydrophobicContact CD2-CG 3.75Å; T27-Q30 PolarHBondContact O-N 2.84Å; T27-Q30 PolarHBondContact OG1-N 2.82Å; P28-Q30 VanDerWaalsContact C-N 3.35Å; P28-Q30 PolarHBondContact O-N 2.86Å; Q30-K33 PolarHBondContact O-N 3.47Å; Q30-E34 HydrophobicContact CG-CG 4.37Å; Q30-E34 WeakPolarHBondContact CG-OE1 3.47Å; Q30-E34 PolarHBondContact NE2-OE1 2.96Å; Q30-E34 WeakPolarHBondContact O-CG 3.47Å; Q30-E34 PolarHBondContact O-N 2.85Å
31L93.6Very high89.6Confident0 Ų060.7 Ų60.70%033%0.33CS..Hα-helixtrans-61.5-45.8171.7178.262.1000111.7I15 L18 L19 L26 T27 P28 K33 E34 Y35 T53 V57 L76I15-L31 HydrophobicContact CG2-CD2 4.29Å; L18-L31 HydrophobicContact CB-CD1 4.24Å; L18-L31 HydrophobicContact CD1-CD1 3.93Å; L19-L31 HydrophobicContact CD2-CD1 4.27Å; L19-L31 HydrophobicContact CG-CD1 4.22Å; L26-L31 HydrophobicContact CB-CB 4.46Å; L26-L31 HydrophobicContact CD1-CB 4.21Å; L26-L31 HydrophobicContact CD1-CD1 4.14Å; T27-L31 PolarHBondContact O-N 3.3Å; P28-L31 PolarHBondContact O-N 3.38Å; L31-K33 VanDerWaalsContact C-N 3.25Å; L31-K33 PolarHBondContact O-N 3.25Å; L31-E34 PolarHBondContact O-N 3.43Å; L31-Y35 WeakPolarHBondContact O-CB 3.36Å; L31-Y35 PolarHBondContact O-N 2.83Å; L31-T53 HydrophobicContact CD2-CG2 4.03Å; L31-V57 HydrophobicContact CD2-CG2 4.31Å; L31-L76 HydrophobicContact CD2-CD1 3.68Å
32E92.9Very high89.5Confident80 Ų8062.7 Ų62.737%0.37433%0.332SS..Hα-helixtrans-53.2-43.4172.8-79.1167.1-147.500112.7P28 L36 L43 T53P28-E32 PolarHBondContact O-N 2.83Å; E32-L36 WeakPolarHBondContact O-CB 3.35Å; E32-L36 PolarHBondContact O-N 3.48Å; E32-L36 VanDerWaalsContact O-N 3.12Å; E32-L43 HydrophobicContact CG-CD1 3.8Å; E32-T53 VanDerWaalsContact CD-OG1 3.24Å; E32-T53 HydrophobicContact CG-CG2 4.35Å; E32-T53 WeakPolarHBondContact CG-OG1 3.32Å; E32-T53 WeakPolarHBondContact OE1-CB 3.29Å; E32-T53 PolarHBondContact OE1-OG1 3.48Å
33K91.1Very high89.5Confident111 Ų11162 Ų6248%0.48333%0.327SS..Hα-helixtrans-73.9-43.1-177.6-179.6-177.1168.1-165.90112.6Q29 Q30 L31 L36 L37Q29-K33 PolarHBondContact O-N 2.89Å; Q30-K33 PolarHBondContact O-N 3.47Å; L31-K33 VanDerWaalsContact C-N 3.25Å; L31-K33 PolarHBondContact O-N 3.25Å; K33-L36 PolarHBondContact O-N 2.62Å; K33-L37 HydrophobicContact CG-CD1 4.19Å; K33-L37 VanDerWaalsContact O-CG 3.27Å; K33-L37 WeakPolarHBondContact O-CG 3.48Å; K33-L37 PolarHBondContact O-N 3.48Å
34E91.1Very high89.5Confident43 Ų4360 Ų6020%0.20132%0.321CS..Hα-helixtrans-71.4-35.5178.4-71.3-175.6-163.200111.7L18 L26 Q30 L31 L37 M38L18-E34 HydrophobicContact CD2-CB 4.09Å; L26-E34 HydrophobicContact CD1-CB 4.5Å; L26-E34 WeakPolarHBondContact CD1-OE2 3.38Å; Q30-E34 HydrophobicContact CG-CG 4.37Å; Q30-E34 WeakPolarHBondContact CG-OE1 3.47Å; Q30-E34 PolarHBondContact NE2-OE1 2.96Å; Q30-E34 WeakPolarHBondContact O-CG 3.47Å; Q30-E34 PolarHBondContact O-N 2.85Å; L31-E34 PolarHBondContact O-N 3.43Å; E34-L37 PolarHBondContact O-N 2.83Å; E34-M38 WeakPolarHBondContact O-CB 3.41Å; E34-M38 PolarHBondContact O-N 3.43Å
35Y93.1Very high89.4Confident13 Ų1357.4 Ų57.45%0.05131%0.307CS..Hα-helixtrans-60-47.2170-176-86.1000111.7L11 E14 L18 L31 L37 M38 V39 N41 H42 L43L11-Y35 HydrophobicContact CD1-CD2 4.12Å; L11-Y35 HydrophobicContact CD1-CE2 3.29Å; E14-Y35 HydrophobicContact CB-CE2 4.03Å; E14-Y35 WeakPolarHBondContact OE2-CE2 3.45Å; E14-Y35 PolarHBondContact OE2-OH 2.8Å; L18-Y35 HydrophobicContact CD1-CD2 3.97Å; L18-Y35 HydrophobicContact CD1-CG 4.39Å; L31-Y35 WeakPolarHBondContact O-CB 3.36Å; L31-Y35 PolarHBondContact O-N 2.83Å; Y35-L37 VanDerWaalsContact C-N 3.28Å; Y35-L37 PolarHBondContact O-N 3.48Å; Y35-M38 PolarHBondContact O-N 2.79Å; Y35-V39 HydrophobicContact CD1-CB 4.41Å; Y35-V39 HydrophobicContact CD1-CG2 4.44Å; Y35-V39 HydrophobicContact CD2-CG2 3.93Å; Y35-V39 HydrophobicContact CE1-CB 4.05Å; Y35-V39 HydrophobicContact CE1-CG1 4.27Å; Y35-V39 HydrophobicContact CE1-CG2 4.22Å; Y35-V39 HydrophobicContact CE2-CB 4.39Å; Y35-V39 HydrophobicContact CE2-CG2 3.69Å; Y35-V39 HydrophobicContact CG-CG2 4.31Å; Y35-V39 WeakPolarHBondContact O-CB 3.27Å; Y35-V39 PolarHBondContact O-N 3.5Å; Y35-N41 WeakPolarHBondContact CD1-O 3.21Å; Y35-N41 VanDerWaalsContact CE1-O 3.26Å; Y35-N41 WeakPolarHBondContact CE1-O 3.3Å; Y35-H42 WeakPolarHBondContact CE1-O 3.47Å; Y35-L43 HydrophobicContact CD1-CB 4.43Å; Y35-L43 HydrophobicContact CD1-CD2 3.71Å; Y35-L43 HydrophobicContact CD1-CG 3.86Å; Y35-L43 HydrophobicContact CD2-CD2 3.52Å; Y35-L43 HydrophobicContact CD2-CG 4.45Å; Y35-L43 HydrophobicContact CE1-CD2 4Å; Y35-L43 HydrophobicContact CE1-CG 4.38Å; Y35-L43 HydrophobicContact CE2-CD2 3.81Å; Y35-L43 HydrophobicContact CG-CD2 3.45Å; Y35-L43 VanDerWaalsContact CG-CD2 3.45Å; Y35-L43 HydrophobicContact CG-CG 3.9Å
36L90.3Very high88.9Confident62 Ų6260.8 Ų60.833%0.32531%0.314SS..Hα-helixtrans-59.9-36.7175.3-179.764.7000112.9E32 K33 G40 N41E32-L36 WeakPolarHBondContact O-CB 3.35Å; E32-L36 PolarHBondContact O-N 3.48Å; E32-L36 VanDerWaalsContact O-N 3.12Å; K33-L36 PolarHBondContact O-N 2.62Å; L36-G40 VanDerWaalsContact O-CA 3.23Å; L36-G40 WeakPolarHBondContact O-CA 3.17Å; L36-G40 PolarHBondContact O-N 2.76Å; L36-G40 VanDerWaalsContact O-N 3.13Å; L36-N41 WeakPolarHBondContact CA-O 3.48Å; L36-N41 VanDerWaalsContact CD1-C 3.49Å
37L90Very high88Confident134 Ų13465.2 Ų65.270%0.70234%0.336SS*.Hα-helixtrans-75.4-29.1177.9-71.3167.3000113.4K33 E34 Y35K33-L37 HydrophobicContact CG-CD1 4.19Å; K33-L37 VanDerWaalsContact O-CG 3.27Å; K33-L37 WeakPolarHBondContact O-CG 3.48Å; K33-L37 PolarHBondContact O-N 3.48Å; E34-L37 PolarHBondContact O-N 2.83Å; Y35-L37 VanDerWaalsContact C-N 3.28Å; Y35-L37 PolarHBondContact O-N 3.48Å
38M87.2Confident87.3Confident92 Ų9263 Ų6345%0.45332%0.323SS..Hα-helixtrans-87.7-46.6-179.4-175-176.775.800112.8E14 L18 E34 Y35E14-M38 HydrophobicContact CB-CE 3.95Å; E14-M38 HydrophobicContact CG-CE 4.32Å; L18-M38 HydrophobicContact CD1-CE 3.96Å; L18-M38 HydrophobicContact CD2-CB 4.06Å; L18-M38 HydrophobicContact CD2-CE 3.97Å; L18-M38 HydrophobicContact CD2-CG 4.42Å; L18-M38 HydrophobicContact CD2-SD 3.55Å; L18-M38 VanDerWaalsContact CD2-SD 3.55Å; L18-M38 HydrophobicContact CG-CE 3.73Å; L18-M38 HydrophobicContact CG-SD 3.89Å; E34-M38 WeakPolarHBondContact O-CB 3.41Å; E34-M38 PolarHBondContact O-N 3.43Å; Y35-M38 PolarHBondContact O-N 2.79Å
39V85.8Confident86.4Confident41 Ų4162.4 Ų62.425%0.24832%0.319CS..Hα-helixtrans-95.7-11.6-172.8-172.30000111.8E14 Y35 N41E14-V39 HydrophobicContact CG-CG2 4.49Å; Y35-V39 HydrophobicContact CD1-CB 4.41Å; Y35-V39 HydrophobicContact CD1-CG2 4.44Å; Y35-V39 HydrophobicContact CD2-CG2 3.93Å; Y35-V39 HydrophobicContact CE1-CB 4.05Å; Y35-V39 HydrophobicContact CE1-CG1 4.27Å; Y35-V39 HydrophobicContact CE1-CG2 4.22Å; Y35-V39 HydrophobicContact CE2-CB 4.39Å; Y35-V39 HydrophobicContact CE2-CG2 3.69Å; Y35-V39 HydrophobicContact CG-CG2 4.31Å; Y35-V39 WeakPolarHBondContact O-CB 3.27Å; Y35-V39 PolarHBondContact O-N 3.5Å; V39-N41 PolarHBondContact O-N 2.77Å; V39-N41 VanDerWaalsContact O-N 3.15Å; V39-N41 PolarHBondContact O-ND2 3.14Å
40G82.5Confident86Confident56 Ų5657.1 Ų57.158%0.57729%0.294SS*.SBendtrans73.1-5.3-176.400000114.6L36L36-G40 VanDerWaalsContact O-CA 3.23Å; L36-G40 WeakPolarHBondContact O-CA 3.17Å; L36-G40 PolarHBondContact O-N 2.76Å; L36-G40 VanDerWaalsContact O-N 3.13Å
41N81Confident85.3Confident108 Ų10859.6 Ų59.658%0.57830%0.301SS*.SBendtrans-122.8153.2-177.4-69.7-72.9000110.6Y35 L36 V39Y35-N41 WeakPolarHBondContact CD1-O 3.21Å; Y35-N41 VanDerWaalsContact CE1-O 3.26Å; Y35-N41 WeakPolarHBondContact CE1-O 3.3Å; L36-N41 WeakPolarHBondContact CA-O 3.48Å; L36-N41 VanDerWaalsContact CD1-C 3.49Å; V39-N41 PolarHBondContact O-N 2.77Å; V39-N41 VanDerWaalsContact O-N 3.15Å; V39-N41 PolarHBondContact O-ND2 3.14Å
42H86.9Confident84.9Confident110 Ų11062 Ų6251%0.50932%0.317SS..  trans-66.4156.6170.9-65.9-76.9000111Y35Y35-H42 WeakPolarHBondContact CE1-O 3.47Å
43L88.1Confident84.8Confident15 Ų1558.2 Ų58.28%0.07930%0.3CS..  trans-51.4130.9168.5-76.4174.7000109.4L11 I15 E32 Y35 L45 T53 L56L11-L43 HydrophobicContact CD1-CD2 3.73Å; I15-L43 HydrophobicContact CD1-CD2 4.1Å; I15-L43 HydrophobicContact CG1-CD2 4.39Å; E32-L43 HydrophobicContact CG-CD1 3.8Å; Y35-L43 HydrophobicContact CD1-CB 4.43Å; Y35-L43 HydrophobicContact CD1-CD2 3.71Å; Y35-L43 HydrophobicContact CD1-CG 3.86Å; Y35-L43 HydrophobicContact CD2-CD2 3.52Å; Y35-L43 HydrophobicContact CD2-CG 4.45Å; Y35-L43 HydrophobicContact CE1-CD2 4Å; Y35-L43 HydrophobicContact CE1-CG 4.38Å; Y35-L43 HydrophobicContact CE2-CD2 3.81Å; Y35-L43 HydrophobicContact CG-CD2 3.45Å; Y35-L43 VanDerWaalsContact CG-CD2 3.45Å; Y35-L43 HydrophobicContact CG-CG 3.9Å; L43-L45 HydrophobicContact CB-CD2 4.25Å; L43-L45 HydrophobicContact CB-CG 4Å; L43-L45 PolarHBondContact O-N 2.82Å; L43-T53 HydrophobicContact CD1-CG2 3.7Å; L43-T53 WeakPolarHBondContact CD1-OG1 3.41Å; L43-L56 HydrophobicContact CD1-CD2 4.27Å; L43-L56 HydrophobicContact CD2-CD2 4.24Å
44P85.1Confident84.8Confident22 Ų2255.4 Ų55.414%0.14329%0.289CS..  trans-78.446.8-172.532.7-37000112.4I7 L11 R46 I47 L48I7-P44 HydrophobicContact CG2-CG 4.29Å; L11-P44 HydrophobicContact CD2-CG 4Å; P44-R46 PolarHBondContact O-N 2.9Å; P44-I47 HydrophobicContact CB-CB 4.37Å; P44-I47 HydrophobicContact CB-CD1 4.41Å; P44-I47 PolarHBondContact O-N 2.81Å; P44-L48 HydrophobicContact CG-CD1 3.93Å; P44-L48 HydrophobicContact CG-CG 4.17Å; P44-L48 WeakPolarHBondContact O-CB 3.31Å; P44-L48 PolarHBondContact O-N 2.82Å
45L84.8Confident84.6Confident31 Ų3155.4 Ų55.416%0.16229%0.289CS..THydrogen-bonded Turntrans-53.8-54-170.2-65176.6000112.5L43 L48 G49 Y50 L56L43-L45 HydrophobicContact CB-CD2 4.25Å; L43-L45 HydrophobicContact CB-CG 4Å; L43-L45 PolarHBondContact O-N 2.82Å; L45-L48 CarbonylContact O-C 3.54Å; L45-L48 PolarHBondContact O-N 3.07Å; L45-G49 PolarHBondContact O-N 2.87Å; L45-Y50 CarbonylContact C-O 3.59Å; L45-Y50 PolarHBondContact O-N 2.85Å; L45-L56 HydrophobicContact CD2-CB 3.79Å; L45-L56 HydrophobicContact CD2-CD2 3.65Å; L45-L56 HydrophobicContact CD2-CG 4.3Å
46R78.7Confident84.4Confident89 Ų8954.8 Ų54.834%0.33629%0.287SS..THydrogen-bonded Turntrans-62.5-44.4178.9-81.7-174.1165.2168.9-5.3113.2P44 L48 G49 E509 E512 D513 I516P44-R46 PolarHBondContact O-N 2.9Å; R46-L48 VanDerWaalsContact C-N 3.31Å; R46-L48 PolarHBondContact O-N 2.84Å; R46-G49 WeakPolarHBondContact O-CA 3.42Å; R46-G49 PolarHBondContact O-N 3.43Å; R46-E509 IonicContact CZ-OE2 3.02Å; R46-E509 VanDerWaalsContact CZ-OE2 3.29Å; R46-E509 VanDerWaalsContact NH1-CD 3.32Å; R46-E509 IonicContact NH1-OE2 3.09Å; R46-E509 PolarHBondContact NH1-OE2 3.07Å; R46-E509 IonicContact NH2-OE2 3.21Å; R46-E509 PolarHBondContact NH2-OE2 3.28Å; R46-E512 WeakPolarHBondContact CD-OE2 3.21Å; R46-D513 IonicContact CZ-OD2 2.7Å; R46-D513 IonicContact NE-OD1 3.48Å; R46-D513 IonicContact NH2-OD1 3.29Å; R46-D513 IonicContact NH2-OD2 3.86Å; R46-D513 PolarHBondContact NH2-OD2 2.9Å; R46-I516 HydrophobicContact CG-CD1 4.22Å
47I73.5Confident84.5Confident106 Ų10651.9 Ų51.954%0.54427%0.272SS..THydrogen-bonded Turntrans-62.2-41.4179.6-59171.5000110.4Q4 I7 P44 G49 W553Q4-I47 PolarHBondContact NE2-O 3.21Å; I7-I47 HydrophobicContact CD1-CG2 4.47Å; P44-I47 HydrophobicContact CB-CB 4.37Å; P44-I47 HydrophobicContact CB-CD1 4.41Å; P44-I47 PolarHBondContact O-N 2.81Å; I47-G49 VanDerWaalsContact C-N 3.27Å; I47-G49 PolarHBondContact O-N 3.14Å; I47-W553 WeakPolarHBondContact O-CZ2 3.46Å
48L79.8Confident84.4Confident4 Ų450.8 Ų50.82%0.02127%0.266CS..THydrogen-bonded Turntrans-81.7-1.2174.2-67.7-174.1000114Q4 I7 Q8 L11 P44 L45 R46 Y50 L56 R519Q4-L48 HydrophobicContact CG-CD2 4.38Å; I7-L48 HydrophobicContact CB-CD2 4.23Å; I7-L48 HydrophobicContact CG2-CD1 4.42Å; I7-L48 HydrophobicContact CG2-CD2 3.81Å; I7-L48 HydrophobicContact CG2-CG 4.23Å; Q8-L48 HydrophobicContact CB-CD2 4.32Å; L11-L48 HydrophobicContact CD2-CD1 3.23Å; P44-L48 HydrophobicContact CG-CD1 3.93Å; P44-L48 HydrophobicContact CG-CG 4.17Å; P44-L48 WeakPolarHBondContact O-CB 3.31Å; P44-L48 PolarHBondContact O-N 2.82Å; L45-L48 CarbonylContact O-C 3.54Å; L45-L48 PolarHBondContact O-N 3.07Å; R46-L48 VanDerWaalsContact C-N 3.31Å; R46-L48 PolarHBondContact O-N 2.84Å; L48-Y50 HydrophobicContact CB-CD2 3.74Å; L48-Y50 HydrophobicContact CB-CE2 3.68Å; L48-Y50 WeakPolarHBondContact O-CE2 3.46Å; L48-L56 HydrophobicContact CD1-CD1 4.27Å; L48-R519 PolarHBondContact O-NH1 2.73Å
49G74.8Confident84.4Confident3 Ų348.8 Ų48.83%0.03126%0.257CS..THydrogen-bonded Turntrans72.348174.900000116.3L45 R46 I47 R519 W553L45-G49 PolarHBondContact O-N 2.87Å; R46-G49 WeakPolarHBondContact O-CA 3.42Å; R46-G49 PolarHBondContact O-N 3.43Å; I47-G49 VanDerWaalsContact C-N 3.27Å; I47-G49 PolarHBondContact O-N 3.14Å; G49-R519 VanDerWaalsContact CA-NH1 3.31Å; G49-R519 PolarHBondContact O-NH1 2.74Å; G49-R519 VanDerWaalsContact O-NH1 3.1Å; G49-W553 VanDerWaalsContact CA-CZ2 3.47Å
50Y81.9Confident84.6Confident17 Ų1746.9 Ų46.97%0.06725%0.245CC..  trans-126143.6175.3-57.4-64.9000111L45 L48 E55 L56 D59L45-Y50 CarbonylContact C-O 3.59Å; L45-Y50 PolarHBondContact O-N 2.85Å; L48-Y50 HydrophobicContact CB-CD2 3.74Å; L48-Y50 HydrophobicContact CB-CE2 3.68Å; L48-Y50 WeakPolarHBondContact O-CE2 3.46Å; Y50-E55 HydrophobicContact CD1-CB 4.19Å; Y50-E55 HydrophobicContact CD1-CG 3.92Å; Y50-L56 HydrophobicContact CD1-CB 4.48Å; Y50-L56 HydrophobicContact CD2-CB 3.73Å; Y50-L56 HydrophobicContact CD2-CD1 3.61Å; Y50-L56 HydrophobicContact CD2-CG 4.26Å; Y50-L56 HydrophobicContact CE2-CB 4.18Å; Y50-L56 HydrophobicContact CE2-CD1 3.4Å; Y50-L56 HydrophobicContact CE2-CG 4.4Å; Y50-L56 HydrophobicContact CG-CB 3.9Å; Y50-D59 HydrophobicContact CE1-CB 4.17Å; Y50-D59 VanDerWaalsContact OH-CB 3.28Å; Y50-D59 WeakPolarHBondContact OH-CB 3.43Å; Y50-D59 VanDerWaalsContact OH-CG 3.28Å; Y50-D59 PolarHBondContact OH-OD2 2.66Å
51R78.4Confident85Confident115 Ų11548.7 Ų48.743%0.43425%0.247SC..SBendtrans-88-18173.3-62.1-163.3147.4173.3-7.1113.3E55 D513 I516 E517R51-E55 PolarHBondContact N-OE2 3.41Å; R51-D513 PolarHBondContact NH2-O 3.24Å; R51-D513 VanDerWaalsContact NH2-O 3.11Å; R51-I516 HydrophobicContact CG-CG2 3.47Å; R51-I516 VanDerWaalsContact CG-CG2 3.47Å; R51-E517 IonicContact CZ-OE1 3.76Å; R51-E517 IonicContact NH1-OE1 2.75Å; R51-E517 PolarHBondContact NH1-OE1 3.39Å; R51-E517 VanDerWaalsContact NH2-CG 3.31Å; R51-E517 IonicContact NH2-OE1 2.8Å; R51-E517 PolarHBondContact NH2-OE1 2.88Å
52S85.9Confident85.4Confident50 Ų5046.8 Ų46.835%0.3524%0.237SC..SBendtrans-150.3157.5-179.470.70000112.7M54 E55 L56S52-M54 PolarHBondContact O-N 3.02Å; S52-M54 PolarHBondContact OG-N 3.36Å; S52-E55 PolarHBondContact O-N 2.99Å; S52-E55 PolarHBondContact OG-N 2.66Å; S52-L56 PolarHBondContact O-N 2.84Å; S52-L56 VanDerWaalsContact O-N 3.15Å
53T90.9Very high85.7Confident1 Ų141.6 Ų41.61%0.00621%0.213CC..Hα-helixtrans-58.6-28.9170.5-57.70000112.4P28 L31 E32 L43 V57P28-T53 HydrophobicContact CB-CG2 4.2Å; L31-T53 HydrophobicContact CD2-CG2 4.03Å; E32-T53 VanDerWaalsContact CD-OG1 3.24Å; E32-T53 HydrophobicContact CG-CG2 4.35Å; E32-T53 WeakPolarHBondContact CG-OG1 3.32Å; E32-T53 WeakPolarHBondContact OE1-CB 3.29Å; E32-T53 PolarHBondContact OE1-OG1 3.48Å; L43-T53 HydrophobicContact CD1-CG2 3.7Å; L43-T53 WeakPolarHBondContact CD1-OG1 3.41Å; T53-V57 HydrophobicContact CG2-CG2 4.39Å; T53-V57 VanDerWaalsContact O-CB 3.28Å; T53-V57 WeakPolarHBondContact O-CB 3.41Å; T53-V57 WeakPolarHBondContact O-CG2 3.31Å; T53-V57 PolarHBondContact O-N 3.23Å
54M90.6Very high86Confident52 Ų5241.1 Ų41.126%0.25621%0.21SC..Hα-helixtrans-67.8-42.2176.5-163.566.1-144.400111.8P28 S52 V57 L58 V66 V74P28-M54 HydrophobicContact CG-SD 4.23Å; S52-M54 PolarHBondContact O-N 3.02Å; S52-M54 PolarHBondContact OG-N 3.36Å; M54-V57 PolarHBondContact O-N 2.95Å; M54-L58 HydrophobicContact CE-CD1 4.31Å; M54-L58 HydrophobicContact CE-CD2 4.27Å; M54-L58 HydrophobicContact CE-CG 4.2Å; M54-L58 HydrophobicContact CG-CD1 4.47Å; M54-L58 VanDerWaalsContact O-CG 3.29Å; M54-L58 WeakPolarHBondContact O-CG 3.43Å; M54-L58 PolarHBondContact O-N 3.25Å; M54-L58 VanDerWaalsContact O-N 3.15Å; M54-V66 HydrophobicContact CE-CB 4.32Å; M54-V66 HydrophobicContact CE-CG1 3.62Å; M54-V66 HydrophobicContact CE-CG2 3.67Å; M54-V74 HydrophobicContact CE-CG1 4.3Å; M54-V74 HydrophobicContact SD-CG1 4.23Å
55E86.7Confident86.3Confident42 Ų4242.5 Ų42.520%0.19622%0.22CC..Hα-helixtrans-66.7-44.3177.9-161.2178.3-154.100111.4Y50 R51 S52 V57 L58 D59Y50-E55 HydrophobicContact CD1-CB 4.19Å; Y50-E55 HydrophobicContact CD1-CG 3.92Å; R51-E55 PolarHBondContact N-OE2 3.41Å; S52-E55 PolarHBondContact O-N 2.99Å; S52-E55 PolarHBondContact OG-N 2.66Å; E55-V57 VanDerWaalsContact C-N 3.31Å; E55-V57 PolarHBondContact O-N 2.89Å; E55-L58 PolarHBondContact O-N 3.25Å; E55-D59 PolarHBondContact O-N 3.33Å
56L90Very high86.7Confident1 Ų143.5 Ų43.51%0.00523%0.228CC..Hα-helixtrans-54.5-46171.8166.467.5000112L11 I15 L43 L45 L48 Y50 S52 L58 D59 M60L11-L56 HydrophobicContact CD2-CD1 3.78Å; L11-L56 HydrophobicContact CD2-CD2 4Å; I15-L56 HydrophobicContact CD1-CD2 3.96Å; L43-L56 HydrophobicContact CD1-CD2 4.27Å; L43-L56 HydrophobicContact CD2-CD2 4.24Å; L45-L56 HydrophobicContact CD2-CB 3.79Å; L45-L56 HydrophobicContact CD2-CD2 3.65Å; L45-L56 HydrophobicContact CD2-CG 4.3Å; L48-L56 HydrophobicContact CD1-CD1 4.27Å; Y50-L56 HydrophobicContact CD1-CB 4.48Å; Y50-L56 HydrophobicContact CD2-CB 3.73Å; Y50-L56 HydrophobicContact CD2-CD1 3.61Å; Y50-L56 HydrophobicContact CD2-CG 4.26Å; Y50-L56 HydrophobicContact CE2-CB 4.18Å; Y50-L56 HydrophobicContact CE2-CD1 3.4Å; Y50-L56 HydrophobicContact CE2-CG 4.4Å; Y50-L56 HydrophobicContact CG-CB 3.9Å; S52-L56 PolarHBondContact O-N 2.84Å; S52-L56 VanDerWaalsContact O-N 3.15Å; L56-L58 VanDerWaalsContact C-N 3.31Å; L56-L58 PolarHBondContact O-N 3.49Å; L56-D59 PolarHBondContact O-N 2.99Å; L56-M60 HydrophobicContact CD1-CE 3.58Å; L56-M60 HydrophobicContact CG-CE 3.98Å
57V91.3Very high87.2Confident1 Ų140.8 Ų40.81%0.00622%0.222CC..Hα-helixtrans-67-31.9-177.3158.30000112L31 T53 M54 E55 M60 V64 V66 L76L31-V57 HydrophobicContact CD2-CG2 4.31Å; T53-V57 HydrophobicContact CG2-CG2 4.39Å; T53-V57 VanDerWaalsContact O-CB 3.28Å; T53-V57 WeakPolarHBondContact O-CB 3.41Å; T53-V57 WeakPolarHBondContact O-CG2 3.31Å; T53-V57 PolarHBondContact O-N 3.23Å; M54-V57 PolarHBondContact O-N 2.95Å; E55-V57 VanDerWaalsContact C-N 3.31Å; E55-V57 PolarHBondContact O-N 2.89Å; V57-M60 CarbonylContact O-C 3.51Å; V57-M60 WeakPolarHBondContact O-CG 3.48Å; V57-M60 PolarHBondContact O-N 3Å; V57-M60 VanDerWaalsContact O-N 3.15Å; V57-V64 HydrophobicContact CG1-CB 3.94Å; V57-V64 HydrophobicContact CG1-CG1 3.64Å; V57-V64 HydrophobicContact CG1-CG2 4.48Å; V57-V64 HydrophobicContact CG2-CG2 4.49Å; V57-V66 HydrophobicContact CG1-CG2 3.78Å; V57-L76 HydrophobicContact CG1-CD1 4.45Å; V57-L76 HydrophobicContact CG1-CD2 3.9Å; V57-L76 HydrophobicContact CG2-CD1 3.87Å
58L87.9Confident87.9Confident110 Ų11040.8 Ų40.858%0.57623%0.229SC*.Hα-helixtrans-74.1-22.5178.3-69.2166.1000113.6M54 E55 L56 M60 V66M54-L58 HydrophobicContact CE-CD1 4.31Å; M54-L58 HydrophobicContact CE-CD2 4.27Å; M54-L58 HydrophobicContact CE-CG 4.2Å; M54-L58 HydrophobicContact CG-CD1 4.47Å; M54-L58 VanDerWaalsContact O-CG 3.29Å; M54-L58 WeakPolarHBondContact O-CG 3.43Å; M54-L58 PolarHBondContact O-N 3.25Å; M54-L58 VanDerWaalsContact O-N 3.15Å; E55-L58 PolarHBondContact O-N 3.25Å; L56-L58 VanDerWaalsContact C-N 3.31Å; L56-L58 PolarHBondContact O-N 3.49Å; L58-M60 PolarHBondContact O-N 3.15Å; L58-V66 HydrophobicContact CD2-CG2 4.26Å
59D87Confident88Confident51 Ų5142.7 Ų42.727%0.27324%0.242SC..THydrogen-bonded Turntrans-80.73.4168.1-167.672.7000112.7Q8 R12 Y50 E55 L56 P61 K552Q8-D59 PolarHBondContact NE2-OD2 3.39Å; R12-D59 PolarHBondContact NH2-O 3.38Å; Y50-D59 HydrophobicContact CE1-CB 4.17Å; Y50-D59 VanDerWaalsContact OH-CB 3.28Å; Y50-D59 WeakPolarHBondContact OH-CB 3.43Å; Y50-D59 VanDerWaalsContact OH-CG 3.28Å; Y50-D59 PolarHBondContact OH-OD2 2.66Å; E55-D59 PolarHBondContact O-N 3.33Å; L56-D59 PolarHBondContact O-N 2.99Å; D59-P61 VanDerWaalsContact C-CD 3.46Å; D59-K552 IonicContact OD1-NZ 3.17Å; D59-K552 PolarHBondContact OD1-NZ 2.96Å; D59-K552 IonicContact OD2-NZ 2.66Å; D59-K552 PolarHBondContact OD2-NZ 2.91Å
60M90.6Very high87.8Confident0 Ų047.2 Ų47.20%029%0.289CS..  trans-131.256.3176.563.7177.368.400115.9R12 I15 L56 V57 L58 D62 V63 V64R12-M60 HydrophobicContact CG-CE 4.45Å; I15-M60 HydrophobicContact CB-SD 4.49Å; I15-M60 HydrophobicContact CD1-CE 4.06Å; I15-M60 HydrophobicContact CD1-SD 3.94Å; I15-M60 HydrophobicContact CG2-SD 4.13Å; L56-M60 HydrophobicContact CD1-CE 3.58Å; L56-M60 HydrophobicContact CG-CE 3.98Å; V57-M60 CarbonylContact O-C 3.51Å; V57-M60 WeakPolarHBondContact O-CG 3.48Å; V57-M60 PolarHBondContact O-N 3Å; V57-M60 VanDerWaalsContact O-N 3.15Å; L58-M60 PolarHBondContact O-N 3.15Å; M60-D62 WeakPolarHBondContact CA-OD1 3.47Å; M60-D62 PolarHBondContact O-N 3.38Å; M60-D62 VanDerWaalsContact O-N 3.1Å; M60-V63 HydrophobicContact CB-CB 3.99Å; M60-V63 HydrophobicContact CB-CG2 3.96Å; M60-V63 HydrophobicContact CG-CB 4.11Å; M60-V63 PolarHBondContact O-N 2.75Å; M60-V63 HydrophobicContact SD-CB 3.99Å; M60-V63 HydrophobicContact SD-CG1 4.11Å; M60-V63 HydrophobicContact SD-CG2 4.32Å; M60-V64 HydrophobicContact CG-CG2 4.08Å; M60-V64 PolarHBondContact O-N 2.77Å; M60-V64 HydrophobicContact SD-CG2 3.99Å
61P90.4Very high87.7Confident94 Ų9452 Ų5261%0.6132%0.316SS*.THydrogen-bonded Turntrans-68.5-4175.832.8-37.6000114.1D59 I79D59-P61 VanDerWaalsContact C-CD 3.46Å; P61-I79 WeakPolarHBondContact O-CD1 3.5Å
62D90.9Very high87.6Confident69 Ų6949.9 Ų49.937%0.36933%0.33SS..THydrogen-bonded Turntrans-88.3-16.8168.365.2-63.1000113.2R12 R16 M60R12-D62 IonicContact CZ-OD1 2.75Å; R12-D62 IonicContact CZ-OD2 3.38Å; R12-D62 IonicContact NE-OD1 2.89Å; R12-D62 PolarHBondContact NE-OD1 2.86Å; R12-D62 IonicContact NE-OD2 3.97Å; R12-D62 PolarHBondContact NE-OD2 3.07Å; R12-D62 IonicContact NH2-OD1 3.04Å; R12-D62 PolarHBondContact NH2-OD1 2.91Å; R12-D62 IonicContact NH2-OD2 3.29Å; R16-D62 PolarHBondContact NH2-O 2.9Å; R16-D62 IonicContact NH2-OD2 3.19Å; M60-D62 WeakPolarHBondContact CA-OD1 3.47Å; M60-D62 PolarHBondContact O-N 3.38Å; M60-D62 VanDerWaalsContact O-N 3.1Å
63V92.3Very high87.5Confident0 Ų050.2 Ų50.20%033%0.33CS..THydrogen-bonded Turntrans-106.4-41.2-179.4-1770000111.2R12 I15 R16 M60 A78 I79R12-V63 HydrophobicContact CB-CG2 3.84Å; R12-V63 HydrophobicContact CG-CG2 3.68Å; R12-V63 WeakPolarHBondContact O-CG1 3.09Å; I15-V63 HydrophobicContact CB-CG1 4.44Å; I15-V63 HydrophobicContact CG2-CG1 4.05Å; R16-V63 HydrophobicContact CB-CG1 3.93Å; M60-V63 HydrophobicContact CB-CB 3.99Å; M60-V63 HydrophobicContact CB-CG2 3.96Å; M60-V63 HydrophobicContact CG-CB 4.11Å; M60-V63 PolarHBondContact O-N 2.75Å; M60-V63 HydrophobicContact SD-CB 3.99Å; M60-V63 HydrophobicContact SD-CG1 4.11Å; M60-V63 HydrophobicContact SD-CG2 4.32Å; V63-A78 CarbonylContact O-C 3.6Å; V63-A78 WeakPolarHBondContact O-CA 3.34Å; V63-I79 PolarHBondContact O-N 2.79Å
64V94.5Very high87.5Confident5 Ų552.4 Ų52.43%0.0334%0.343CS..EExtended strand (participates in β ladder)trans-129.4126.6-167.8-171.10000111.5I15 L19 V57 M60 L76 K77I15-V64 HydrophobicContact CG2-CG2 3.74Å; L19-V64 HydrophobicContact CD1-CB 4.34Å; L19-V64 HydrophobicContact CD1-CG1 3.9Å; L19-V64 HydrophobicContact CD1-CG2 3.61Å; V57-V64 HydrophobicContact CG1-CB 3.94Å; V57-V64 HydrophobicContact CG1-CG1 3.64Å; V57-V64 HydrophobicContact CG1-CG2 4.48Å; V57-V64 HydrophobicContact CG2-CG2 4.49Å; M60-V64 HydrophobicContact CG-CG2 4.08Å; M60-V64 PolarHBondContact O-N 2.77Å; M60-V64 HydrophobicContact SD-CG2 3.99Å; V64-L76 HydrophobicContact CG1-CB 3.87Å; V64-L76 HydrophobicContact CG1-CD2 4.16Å; V64-L76 HydrophobicContact CG1-CG 4.45Å; V64-K77 CarbonylContact C-O 3.59Å; V64-K77 WeakPolarHBondContact CA-O 3.26Å
65S92.3Very high87.6Confident51 Ų5151.9 Ų51.936%0.35734%0.341SS..EExtended strand (participates in β ladder)trans-91122.6164.4179.20000109.5K77S65-K77 PolarHBondContact N-O 3.22Å; S65-K77 PolarHBondContact O-N 3.3Å
66V93Very high88Confident52 Ų5249.9 Ų49.932%0.31533%0.331SS..EExtended strand (participates in β ladder)trans-84.6115172.9176.70000108.9M54 V57 L58 V74 L76M54-V66 HydrophobicContact CE-CB 4.32Å; M54-V66 HydrophobicContact CE-CG1 3.62Å; M54-V66 HydrophobicContact CE-CG2 3.67Å; V57-V66 HydrophobicContact CG1-CG2 3.78Å; L58-V66 HydrophobicContact CD2-CG2 4.26Å; V66-V74 HydrophobicContact CG1-CG1 3.72Å; V66-L76 HydrophobicContact CG2-CD2 4.17Å
67C89.6Confident88.2Confident33 Ų3353.8 Ų53.822%0.22335%0.348CS..EExtended strand (participates in β ladder)trans-111.6104.2177.1-63.90000110.2I75C67-I75 WeakPolarHBondContact CA-O 3.33Å; C67-I75 VanDerWaalsContact CB-O 3.3Å; C67-I75 WeakPolarHBondContact CB-O 3.41Å; C67-I75 PolarHBondContact N-O 3.37Å; C67-I75 PolarHBondContact O-N 2.88Å
68P87.7Confident88.3Confident105 Ų10554.8 Ų54.868%0.68236%0.357SS*.EExtended strand (participates in β ladder)trans-67.7142168.928.9-33.6000110.5
69C82.1Confident88.5Confident44 Ų4452.5 Ų52.530%0.29734%0.344SS..  trans-107.5153.7175.8-73.10000111.3D71 G72 T73C69-D71 VanDerWaalsContact CB-OD1 3.23Å; C69-D71 WeakPolarHBondContact CB-OD1 3.38Å; C69-D71 PolarHBondContact O-N 3.48Å; C69-G72 PolarHBondContact O-N 3.29Å; C69-T73 PolarHBondContact N-O 3.12Å
70G70.2Confident88.6Confident98 Ų9852.3 Ų52.3100%1.0135%0.346SS*.THydrogen-bonded Turntrans-69.51.7-175.400000115.5
71D79.6Confident88.5Confident118 Ų11854.5 Ų54.563%0.63136%0.357SS*.THydrogen-bonded Turntrans-101.44.4171.559.62.4000112.8C69 T73C69-D71 VanDerWaalsContact CB-OD1 3.23Å; C69-D71 WeakPolarHBondContact CB-OD1 3.38Å; C69-D71 PolarHBondContact O-N 3.48Å; D71-T73 VanDerWaalsContact C-N 3.31Å; D71-T73 WeakPolarHBondContact OD1-CB 3.45Å; D71-T73 WeakPolarHBondContact OD1-CG2 3.1Å; D71-T73 PolarHBondContact OD1-N 3.31Å; D71-T73 PolarHBondContact OD1-OG1 2.94Å; D71-T73 PolarHBondContact OD2-OG1 2.92Å
72G76.4Confident88.5Confident71 Ų7157.2 Ų57.273%0.73236%0.362SS*.SBendtrans83.5-0.5-176.300000114.3C69C69-G72 PolarHBondContact O-N 3.29Å
73T83.5Confident88.4Confident57 Ų5758.7 Ų58.735%0.3538%0.378SS..  trans-79156.4173.668.30000111.6C69 D71C69-T73 PolarHBondContact N-O 3.12Å; D71-T73 VanDerWaalsContact C-N 3.31Å; D71-T73 WeakPolarHBondContact OD1-CB 3.45Å; D71-T73 WeakPolarHBondContact OD1-CG2 3.1Å; D71-T73 PolarHBondContact OD1-N 3.31Å; D71-T73 PolarHBondContact OD1-OG1 2.94Å; D71-T73 PolarHBondContact OD2-OG1 2.92Å
74V91.1Very high88.4Confident46 Ų4659.7 Ų59.728%0.27938%0.384SS..EExtended strand (participates in β ladder)trans-114.8124.7175.41770000108.9M54 V66 L76M54-V74 HydrophobicContact CE-CG1 4.3Å; M54-V74 HydrophobicContact SD-CG1 4.23Å; V66-V74 HydrophobicContact CG1-CG1 3.72Å; V74-L76 HydrophobicContact CG1-CD2 4.1Å
75I93.4Very high88.1Confident41 Ų4164.1 Ų64.121%0.2140%0.403CS..EExtended strand (participates in β ladder)trans-108.7125.8174.9-63.5-174.9000109.3D24 C67 K77D24-I75 WeakPolarHBondContact O-CG2 3.14Å; C67-I75 WeakPolarHBondContact CA-O 3.33Å; C67-I75 VanDerWaalsContact CB-O 3.3Å; C67-I75 WeakPolarHBondContact CB-O 3.41Å; C67-I75 PolarHBondContact N-O 3.37Å; C67-I75 PolarHBondContact O-N 2.88Å; I75-K77 HydrophobicContact CG2-CG 4.18Å
76L94.9Very high88Confident0 Ų064 Ų640%041%0.409CS..EExtended strand (participates in β ladder)trans-90134.2174.1-52.9-174.9000109.3L19 G25 L26 P28 L31 V57 V64 V66 V74L19-L76 HydrophobicContact CD1-CB 4.31Å; L19-L76 HydrophobicContact CD2-CB 3.98Å; G25-L76 CarbonylContact C-O 3.59Å; G25-L76 WeakPolarHBondContact CA-O 3.19Å; L26-L76 PolarHBondContact N-O 3.45Å; L26-L76 WeakPolarHBondContact O-CB 3.49Å; L26-L76 PolarHBondContact O-N 3.45Å; P28-L76 HydrophobicContact CB-CD1 4.45Å; P28-L76 HydrophobicContact CG-CD1 4.16Å; P28-L76 HydrophobicContact CG-CG 4.37Å; L31-L76 HydrophobicContact CD2-CD1 3.68Å; V57-L76 HydrophobicContact CG1-CD1 4.45Å; V57-L76 HydrophobicContact CG1-CD2 3.9Å; V57-L76 HydrophobicContact CG2-CD1 3.87Å; V64-L76 HydrophobicContact CG1-CB 3.87Å; V64-L76 HydrophobicContact CG1-CD2 4.16Å; V64-L76 HydrophobicContact CG1-CG 4.45Å; V66-L76 HydrophobicContact CG2-CD2 4.17Å; V74-L76 HydrophobicContact CG1-CD2 4.1Å
77K92.8Very high87.9Confident84 Ų8465.8 Ų65.837%0.36542%0.416SS..EExtended strand (participates in β ladder)trans-132.4143.7177.1-67.3-179.7-177.11670110.2D24 V64 S65 I75D24-K77 WeakPolarHBondContact O-CE 3.48Å; V64-K77 CarbonylContact C-O 3.59Å; V64-K77 WeakPolarHBondContact CA-O 3.26Å; S65-K77 PolarHBondContact N-O 3.22Å; S65-K77 PolarHBondContact O-N 3.3Å; I75-K77 HydrophobicContact CG2-CG 4.18Å
78A93.5Very high87.9Confident22 Ų2265.5 Ų65.518%0.18242%0.416CS..EExtended strand (participates in β ladder)trans-68.9145.2176.800000112.5L19 I20 V63L19-A78 HydrophobicContact CB-CB 3.69Å; I20-A78 HydrophobicContact CB-CB 4.28Å; I20-A78 HydrophobicContact CD1-CB 4.15Å; I20-A78 HydrophobicContact CG1-CB 3.22Å; V63-A78 CarbonylContact O-C 3.6Å; V63-A78 WeakPolarHBondContact O-CA 3.34Å
79I92.3Very high87.9Confident61 Ų6162.9 Ų62.931%0.31340%0.401SS..  trans-98.1112.1161.8-64.9167.2000106.4R16 P61 V63R16-I79 PolarHBondContact NE-O 3.22Å; P61-I79 WeakPolarHBondContact O-CD1 3.5Å; V63-I79 PolarHBondContact O-N 2.79Å
80P89.4Confident88.3Confident47 Ų4766.6 Ų66.631%0.30542%0.417SS..  trans-79128.7-176.230.3-33.6000111.8I20 K85 A88I20-P80 HydrophobicContact CD1-CB 4.02Å; P80-K85 HydrophobicContact CB-CG 4.21Å; P80-K85 HydrophobicContact CG-CG 4.32Å; P80-A88 HydrophobicContact CB-CB 3.89Å; P80-A88 HydrophobicContact CG-CB 4.04Å
81D89.7Confident89.1Confident46 Ų4662.6 Ų62.625%0.24637%0.373CS..  trans-75.5173.1167.758.645.2000111.8R16 S83 T84 K85R16-D81 WeakPolarHBondContact CD-OD2 3.5Å; R16-D81 IonicContact CZ-OD2 2.92Å; R16-D81 IonicContact NE-OD2 2.79Å; R16-D81 PolarHBondContact NE-OD2 3.28Å; R16-D81 IonicContact NH1-OD2 3.71Å; R16-D81 PolarHBondContact NH1-OD2 3.39Å; D81-S83 PolarHBondContact O-N 2.91Å; D81-S83 VanDerWaalsContact O-N 3.11Å; D81-S83 WeakPolarHBondContact OD1-CB 3.44Å; D81-S83 PolarHBondContact OD1-N 3.42Å; D81-S83 PolarHBondContact OD1-OG 3.47Å; D81-T84 VanDerWaalsContact CG-OG1 3.23Å; D81-T84 PolarHBondContact N-OG1 3.41Å; D81-T84 PolarHBondContact O-N 3.4Å; D81-T84 PolarHBondContact O-OG1 3.15Å; D81-T84 WeakPolarHBondContact OD1-CB 3.29Å; D81-T84 PolarHBondContact OD1-N 2.63Å; D81-T84 PolarHBondContact OD1-OG1 2.93Å; D81-K85 WeakPolarHBondContact O-CG 3.38Å; D81-K85 PolarHBondContact O-N 3.06Å
82E89.9Confident89.4Confident152 Ų15260 Ų6071%0.7137%0.367SS*.THydrogen-bonded Turntrans-53.1-34.4-179.7-58.8-53.1144.300113.6K85E82-K85 WeakPolarHBondContact OE1-CE 3.49Å; E82-K85 IonicContact OE1-NZ 3Å; E82-K85 PolarHBondContact OE1-NZ 3.41Å; E82-K85 WeakPolarHBondContact OE2-CE 3.14Å; E82-K85 IonicContact OE2-NZ 2.77Å; E82-K85 PolarHBondContact OE2-NZ 3.36Å
83S89.1Confident89.9Confident99 Ų9963.6 Ų63.669%0.69236%0.363SS*.THydrogen-bonded Turntrans-74.8-28.3179.977.20000113.1D81D81-S83 PolarHBondContact O-N 2.91Å; D81-S83 VanDerWaalsContact O-N 3.11Å; D81-S83 WeakPolarHBondContact OD1-CB 3.44Å; D81-S83 PolarHBondContact OD1-N 3.42Å; D81-S83 PolarHBondContact OD1-OG 3.47Å
84T90.8Very high90Very high22 Ų2265.7 Ų65.714%0.13537%0.369CS..THydrogen-bonded Turntrans-107.6-11.3-171.5540000114.7I20 D81 G86 I87 A88I20-T84 HydrophobicContact CD1-CG2 4Å; I20-T84 WeakPolarHBondContact CD1-OG1 3.22Å; D81-T84 VanDerWaalsContact CG-OG1 3.23Å; D81-T84 PolarHBondContact N-OG1 3.41Å; D81-T84 PolarHBondContact O-N 3.4Å; D81-T84 PolarHBondContact O-OG1 3.15Å; D81-T84 WeakPolarHBondContact OD1-CB 3.29Å; D81-T84 PolarHBondContact OD1-N 2.63Å; D81-T84 PolarHBondContact OD1-OG1 2.93Å; T84-G86 PolarHBondContact O-N 3.08Å; T84-G86 VanDerWaalsContact O-N 3.15Å; T84-I87 PolarHBondContact O-N 2.8Å; T84-A88 PolarHBondContact O-N 2.81Å
85K89.3Confident89.2Confident97 Ų9775.1 Ų75.142%0.42240%0.4SS..Hα-helixtrans-47.3-41.3173.1-83.6174.2-168.6178.30113.8P80 D81 E82 S89P80-K85 HydrophobicContact CB-CG 4.21Å; P80-K85 HydrophobicContact CG-CG 4.32Å; D81-K85 WeakPolarHBondContact O-CG 3.38Å; D81-K85 PolarHBondContact O-N 3.06Å; E82-K85 WeakPolarHBondContact OE1-CE 3.49Å; E82-K85 IonicContact OE1-NZ 3Å; E82-K85 PolarHBondContact OE1-NZ 3.41Å; E82-K85 WeakPolarHBondContact OE2-CE 3.14Å; E82-K85 IonicContact OE2-NZ 2.77Å; E82-K85 PolarHBondContact OE2-NZ 3.36Å; K85-S89 PolarHBondContact O-N 2.85Å
86G90.3Very high87.6Confident48 Ų4881 Ų8150%0.49542%0.419SS..Hα-helixtrans-61.8-46177.800000112.6T84 S89 L90T84-G86 PolarHBondContact O-N 3.08Å; T84-G86 VanDerWaalsContact O-N 3.15Å; G86-S89 WeakPolarHBondContact O-CB 3.38Å; G86-S89 PolarHBondContact O-N 2.87Å; G86-L90 WeakPolarHBondContact O-CG 3.3Å; G86-L90 PolarHBondContact O-N 2.81Å; G86-L90 VanDerWaalsContact O-N 3.13Å
87I89.6Confident85.3Confident90 Ų9086.8 Ų86.846%0.46246%0.46SS..Hα-helixtrans-65-47.4179-52.9175.4000110I20 T84 S89 L90 V91I20-I87 HydrophobicContact CG2-CB 4.05Å; I20-I87 HydrophobicContact CG2-CG2 3.67Å; T84-I87 PolarHBondContact O-N 2.8Å; I87-S89 VanDerWaalsContact C-N 3.27Å; I87-S89 PolarHBondContact O-N 3.18Å; I87-L90 WeakPolarHBondContact O-CB 3.04Å; I87-L90 PolarHBondContact O-N 3.44Å; I87-V91 HydrophobicContact CG2-CG2 4.34Å; I87-V91 WeakPolarHBondContact O-CG2 3.31Å; I87-V91 PolarHBondContact O-N 3.02Å
88A89.8Confident83.1Confident27 Ų2791 Ų9122%0.22348%0.48CS..Hα-helixtrans-57.9-38.9176.600000112.2I20 P80 T84 L90 V91 A92I20-A88 HydrophobicContact CG2-CB 4.45Å; P80-A88 HydrophobicContact CB-CB 3.89Å; P80-A88 HydrophobicContact CG-CB 4.04Å; T84-A88 PolarHBondContact O-N 2.81Å; A88-L90 PolarHBondContact O-N 2.72Å; A88-V91 PolarHBondContact O-N 2.76Å; A88-A92 VanDerWaalsContact O-CB 3.29Å; A88-A92 WeakPolarHBondContact O-CB 3.45Å; A88-A92 PolarHBondContact O-N 2.77Å
89S88.1Confident80.7Confident51 Ų5199.2 Ų99.236%0.35751%0.512SS..Hα-helixtrans-63.7-39174.3-161.60000112.7K85 G86 I87 K93K85-S89 PolarHBondContact O-N 2.85Å; G86-S89 WeakPolarHBondContact O-CB 3.38Å; G86-S89 PolarHBondContact O-N 2.87Å; I87-S89 VanDerWaalsContact C-N 3.27Å; I87-S89 PolarHBondContact O-N 3.18Å; S89-K93 WeakPolarHBondContact O-CB 3.48Å; S89-K93 VanDerWaalsContact O-CD 3.25Å; S89-K93 WeakPolarHBondContact O-CD 3.19Å; S89-K93 WeakPolarHBondContact O-CG 3.37Å; S89-K93 PolarHBondContact O-N 3.02Å; S89-K93 PolarHBondContact OG-NZ 3.24Å
90L89.9Confident78.1Confident121 Ų121102.7 Ų102.763%0.63454%0.536SS*.Hα-helixtrans-69.8-43.3177-68.4170.2000111.9G86 I87 A88 K93 Q94G86-L90 WeakPolarHBondContact O-CG 3.3Å; G86-L90 PolarHBondContact O-N 2.81Å; G86-L90 VanDerWaalsContact O-N 3.13Å; I87-L90 WeakPolarHBondContact O-CB 3.04Å; I87-L90 PolarHBondContact O-N 3.44Å; A88-L90 PolarHBondContact O-N 2.72Å; L90-K93 CarbonylContact O-C 3.55Å; L90-K93 PolarHBondContact O-N 2.71Å; L90-K93 VanDerWaalsContact O-N 3.14Å; L90-Q94 PolarHBondContact O-N 3.2Å
91V88.1Confident75.5Confident14 Ų14111 Ų1119%0.08556%0.561CS.*Hα-helixtrans-64.3-43.9177.1175.60000110.9I20 K23 I87 A88 K93 Q94I20-V91 WeakPolarHBondContact O-CG2 3.36Å; K23-V91 HydrophobicContact CB-CG1 3.79Å; K23-V91 HydrophobicContact CG-CG1 4.46Å; I87-V91 HydrophobicContact CG2-CG2 4.34Å; I87-V91 WeakPolarHBondContact O-CG2 3.31Å; I87-V91 PolarHBondContact O-N 3.02Å; A88-V91 PolarHBondContact O-N 2.76Å; V91-K93 PolarHBondContact O-N 2.97Å; V91-Q94 VanDerWaalsContact O-CB 3.32Å; V91-Q94 WeakPolarHBondContact O-CB 3.06Å; V91-Q94 WeakPolarHBondContact O-CG 3.45Å; V91-Q94 PolarHBondContact O-N 2.75Å
92A85.1Confident72.8Confident63 Ų63115.8 Ų115.852%0.52159%0.586SS.*Hα-helixtrans-57.9-33.1172.900000113K23 A88K23-A92 VanDerWaalsContact CE-O 3.22Å; K23-A92 WeakPolarHBondContact CE-O 3.18Å; K23-A92 PolarHBondContact NZ-O 2.99Å; A88-A92 VanDerWaalsContact O-CB 3.29Å; A88-A92 WeakPolarHBondContact O-CB 3.45Å; A88-A92 PolarHBondContact O-N 2.77Å
93K86.8Confident70Confident147 Ų147114.4 Ų114.464%0.63959%0.593SS**Hα-helixtrans-81.8-7.8177.6-72.7164.7-175.5153.30114.7S89 L90 V91 R95S89-K93 WeakPolarHBondContact O-CB 3.48Å; S89-K93 VanDerWaalsContact O-CD 3.25Å; S89-K93 WeakPolarHBondContact O-CD 3.19Å; S89-K93 WeakPolarHBondContact O-CG 3.37Å; S89-K93 PolarHBondContact O-N 3.02Å; S89-K93 PolarHBondContact OG-NZ 3.24Å; L90-K93 CarbonylContact O-C 3.55Å; L90-K93 PolarHBondContact O-N 2.71Å; L90-K93 VanDerWaalsContact O-N 3.14Å; V91-K93 PolarHBondContact O-N 2.97Å; K93-R95 PolarHBondContact O-N 3.48Å
94Q85.9Confident67.5Low101 Ų101118.2 Ų118.247%0.47260%0.603SS.*SBendtrans-55.5134.7175.1-71.3172.2-2.700110.9K23 L90 V91 R96K23-Q94 HydrophobicContact CD-CB 4.4Å; K23-Q94 PolarHBondContact NZ-O 2.87Å; L90-Q94 PolarHBondContact O-N 3.2Å; V91-Q94 VanDerWaalsContact O-CB 3.32Å; V91-Q94 WeakPolarHBondContact O-CB 3.06Å; V91-Q94 WeakPolarHBondContact O-CG 3.45Å; V91-Q94 PolarHBondContact O-N 2.75Å; Q94-R96 PolarHBondContact O-N 2.87Å
95R74.6Confident64.8Low245 Ų245126.3 Ų126.393%0.92564%0.639SS**PPolyproline II helixtrans-65.9124-178.6-69.4-177.8175.2-177.9-1.6110.3K93 S97K93-R95 PolarHBondContact O-N 3.48Å; R95-S97 PolarHBondContact O-N 2.93Å
96R59.9Low62Low164 Ų164131.6 Ų131.662%0.61966%0.662SS**PPolyproline II helixtrans-64.1126.2168.3-79-176.1167.3160.8-3.4109.2D24 Q94 H98D24-R96 IonicContact OD1-CZ 3.37Å; D24-R96 IonicContact OD1-NE 2.78Å; D24-R96 IonicContact OD1-NH2 3.93Å; D24-R96 PolarHBondContact OD1-NH2 3.17Å; Q94-R96 PolarHBondContact O-N 2.87Å; R96-H98 VanDerWaalsContact C-N 3.27Å; R96-H98 PolarHBondContact O-N 3.44Å
97S47.2Very low59.1Low122 Ų122133.1 Ų133.185%0.85368%0.677SS**  trans-7671-17943.10000111.9R95 K99R95-S97 PolarHBondContact O-N 2.93Å; S97-K99 PolarHBondContact O-N 3.19Å
98H46.1Very low56.2Low173 Ų173140 Ų14080%0.80170%0.697SS**  trans-64.3100.8170.7-82-76.1000110.9R96R96-H98 VanDerWaalsContact C-N 3.27Å; R96-H98 PolarHBondContact O-N 3.44Å
99K42.2Very low53.6Low194 Ų194145.3 Ų145.384%0.84373%0.727SS**  trans-142.591.1165.6-134.9176.4-173.2-177.90113.8S97S97-K99 PolarHBondContact O-N 3.19Å
100V38Very low50.8Low134 Ų134148.3 Ų148.381%0.81275%0.748SS**  trans59.8126.6147.3-174.50000118.9
101R36.4Very low47.8Very low221 Ų221148.9 Ų148.983%0.83476%0.757SS**  trans-93143.5168.3-177.4179-175.4177.44.9109.6
102N31.9Very low45.1Very low146 Ų146153.7 Ų153.778%0.78179%0.79SS**  trans70106.2173.5-61-7.5000118.2
103S30.5Very low42.4Very low123 Ų123156.3 Ų156.386%0.8680%0.804SS**  trans-141.6135.7135.3-178.50000108.1
104M36.8Very low39.7Very low179 Ų179153 Ų15388%0.88281%0.812SS**  trans-123.8118.6177.3-85.8178.460.300109.8
105Q34.7Very low37Very low192 Ų192155.7 Ų155.790%0.89782%0.817SS**  trans-159.2130.5138.3-11417326.800114
106K31.4Very low35.1Very low209 Ų209149.2 Ų149.291%0.90981%0.805SS**  trans-3129.7162.4-63.8173.8172.41790119.4
107G29Very low33.8Very low79 Ų79146.9 Ų146.981%0.81481%0.811SS**  trans162.2105.1148.600000117.3
108R28.1Very low33.2Very low235 Ų235144.6 Ų144.689%0.88778%0.784SS**  trans49.989.5161.7-79-178.1163.6165.1-5.1119.7
109T35.8Very low32.6Very low139 Ų139146.7 Ų146.785%0.85379%0.785SS**  37.391123.155.60000119.8
110S28.8Very low32.4Very low114 Ų114140.8 Ų140.880%0.79778%0.78SS**  trans-173.8141.6153-1670000109
111V27.6Very low32.6Very low133 Ų133144 Ų14481%0.80678%0.777SS**  cis-149.2166.4-18.4119.50000107.5
112C30.5Very low33.1Very low115 Ų115139.3 Ų139.378%0.77777%0.773SS**PPolyproline II helixtrans-85.7155.9-170.4-63.40000116.6
113S28.9Very low34.1Very low117 Ų117135.6 Ų135.682%0.81876%0.756SS**PPolyproline II helixtrans-57.6155.7173.5-53.90000114.4
114G29.5Very low35.7Very low78 Ų78131.3 Ų131.380%0.80473%0.726SS**PPolyproline II helixtrans-62.1136.9-178.400000114.1
115R29.9Very low37.5Very low157 Ų157129.6 Ų129.659%0.59272%0.719SS**PPolyproline II helixtrans-81.9157.6173-66179.8169.5-160.1-6.3111.4N175R115-N175 PolarHBondContact NH2-ND2 3.4Å
116V33.7Very low39.7Very low110 Ų110120.6 Ų120.667%0.66768%0.677SS**PPolyproline II helixtrans-62.9131.3159.7-1790000108.4Y118V116-Y118 PolarHBondContact O-N 2.61Å
117P33.5Very low42.2Very low115 Ų115113.2 Ų113.275%0.74765%0.65SS**  trans-78.9100.7177.530.6-33000110.9R119P117-R119 PolarHBondContact O-N 3.11Å
118Y33.1Very low44.7Very low73 Ų73113.4 Ų113.429%0.28664%0.644SS.*  trans-54.7120.7157.1-79.5-102.5000108.5V116 G120 G166 L168 E172V116-Y118 PolarHBondContact O-N 2.61Å; Y118-G120 PolarHBondContact O-N 2.62Å; Y118-G166 PolarHBondContact OH-O 2.69Å; Y118-L168 HydrophobicContact CE1-CD1 4.21Å; Y118-L168 HydrophobicContact CE2-CD1 4.3Å; Y118-L168 WeakPolarHBondContact OH-CG 3.4Å; Y118-E172 PolarHBondContact OH-OE2 2.83Å
119R34.6Very low47.3Very low217 Ų217105.3 Ų105.382%0.81962%0.621SS**SBendtrans-61.4103.8172.7-89-166.4175.2-156.40.5110P117 R121P117-R119 PolarHBondContact O-N 3.11Å; R119-R121 VanDerWaalsContact C-N 3.32Å; R119-R121 PolarHBondContact O-N 3.01Å
120G38.9Very low49.6Very low71 Ų7198.9 Ų98.973%0.73258%0.581SS**SBendtrans65.419.816200000117.3Y118Y118-G120 PolarHBondContact O-N 2.62Å
121R40.3Very low52.4Low202 Ų20295.2 Ų95.276%0.76255%0.551SS**  trans-106.5144.5168.5-63.1-163.2-161.5-116.311.2111R119R119-R121 VanDerWaalsContact C-N 3.32Å; R119-R121 PolarHBondContact O-N 3.01Å
122V47.3Very low55.2Low122 Ų12291.3 Ų91.374%0.73953%0.529SS*.PPolyproline II helixtrans-60.6139.3162.5-177.70000108
123P53.3Low58Low67 Ų6786.9 Ų86.944%0.43550%0.497SS..PPolyproline II helixtrans-56.7138.1175.2-24.134.1000111I125P123-I125 PolarHBondContact O-N 2.93Å
124P65.1Low60.8Low34 Ų3481.3 Ų81.322%0.22146%0.458CS..PPolyproline II helixtrans-56.3128.4178.622.4-33.1000110.7F167P124-F167 HydrophobicContact CB-CD1 4.43Å; P124-F167 HydrophobicContact CB-CE1 4.05Å; P124-F167 HydrophobicContact CB-CE2 4.12Å; P124-F167 HydrophobicContact CB-CZ 3.87Å; P124-F167 HydrophobicContact CG-CD1 3.72Å; P124-F167 HydrophobicContact CG-CE1 3.64Å; P124-F167 HydrophobicContact CG-CE2 4.41Å; P124-F167 HydrophobicContact CG-CG 4.17Å; P124-F167 HydrophobicContact CG-CZ 4Å; P124-F167 WeakPolarHBondContact O-CE1 3.31Å; P124-F167 VanDerWaalsContact O-CZ 3.25Å; P124-F167 WeakPolarHBondContact O-CZ 3.41Å
125I73Confident63.7Low142 Ų14282.2 Ų82.273%0.72844%0.44SS*.PPolyproline II helixtrans-87.1120.6174.9-59.4177.2000106.9P123 P127P123-I125 PolarHBondContact O-N 2.93Å; I125-P127 WeakPolarHBondContact O-CD 3.4Å
126L80.8Confident66.4Low4 Ų478.7 Ų78.72%0.02143%0.433CS..PPolyproline II helixtrans-64.1122.2-179.9-170.666.1000109.1V130 K131 L134 F167 V173 A176 A177L126-V130 HydrophobicContact CD1-CB 4.2Å; L126-V130 HydrophobicContact CD1-CG1 3.78Å; L126-V130 HydrophobicContact CD2-CG1 4.45Å; L126-V130 HydrophobicContact CG-CB 4.25Å; L126-V130 HydrophobicContact CG-CG1 4.14Å; L126-K131 HydrophobicContact CB-CG 4.25Å; L126-K131 HydrophobicContact CD2-CG 3.91Å; L126-K131 HydrophobicContact CG-CG 4.12Å; L126-L134 HydrophobicContact CD2-CD1 3.63Å; L126-F167 HydrophobicContact CB-CE2 4.17Å; L126-F167 HydrophobicContact CB-CZ 3.81Å; L126-F167 HydrophobicContact CD1-CD2 4.23Å; L126-F167 HydrophobicContact CD1-CE2 3.47Å; L126-F167 VanDerWaalsContact CD1-CE2 3.47Å; L126-F167 HydrophobicContact CD1-CZ 3.93Å; L126-F167 HydrophobicContact CG-CE2 4.44Å; L126-F167 HydrophobicContact CG-CZ 4.48Å; L126-V173 HydrophobicContact CD1-CG1 4.01Å; L126-V173 HydrophobicContact CD2-CG1 3.8Å; L126-A176 HydrophobicContact CB-CB 4.18Å; L126-A177 HydrophobicContact CD2-CB 3.92Å
127P85.3Confident69.1Low54 Ų5473.8 Ų73.835%0.35140%0.403SS..PPolyproline II helixtrans-57149.1-172.6-27.134.9000113I125 V129 V130 K131 Y165I125-P127 WeakPolarHBondContact O-CD 3.4Å; P127-V129 VanDerWaalsContact C-N 3.28Å; P127-V129 PolarHBondContact O-N 3.09Å; P127-V130 HydrophobicContact CB-CG2 4.13Å; P127-V130 HydrophobicContact CG-CG2 4.25Å; P127-V130 PolarHBondContact O-N 3.19Å; P127-V130 VanDerWaalsContact O-N 3.07Å; P127-K131 PolarHBondContact O-N 2.96Å; P127-Y165 HydrophobicContact CG-CD1 4.25Å
128A80.1Confident71.7Confident82 Ų8268.7 Ų68.768%0.67837%0.369SS*.Hα-helixtrans-55.5-43.7-177.200000112.2V130 K131 S132A128-V130 PolarHBondContact O-N 2.82Å; A128-K131 CarbonylContact O-C 3.48Å; A128-K131 WeakPolarHBondContact O-CA 3.47Å; A128-K131 WeakPolarHBondContact O-CB 3.1Å; A128-K131 PolarHBondContact O-N 2.86Å; A128-K131 VanDerWaalsContact O-N 3.15Å; A128-S132 PolarHBondContact O-N 2.92Å; A128-S132 PolarHBondContact O-OG 3.38Å; A128-S132 VanDerWaalsContact O-OG 3.07Å
129V83.2Confident74.1Confident66 Ų6668.2 Ų68.240%0.438%0.381SS..Hα-helixtrans-55-49.8174.8-1780000111.6P127 K131 S132 E133 E354P127-V129 VanDerWaalsContact C-N 3.28Å; P127-V129 PolarHBondContact O-N 3.09Å; V129-K131 VanDerWaalsContact C-N 3.32Å; V129-K131 PolarHBondContact O-N 2.76Å; V129-S132 VanDerWaalsContact CA-OG 3.3Å; V129-S132 WeakPolarHBondContact CA-OG 3.44Å; V129-S132 PolarHBondContact O-N 3.1Å; V129-S132 PolarHBondContact O-OG 2.82Å; V129-E133 PolarHBondContact O-N 3.07Å; V129-E354 WeakPolarHBondContact CG2-OE1 3.45Å
130V84.8Confident75.9Confident4 Ų464.4 Ų64.42%0.02438%0.376CS..Hα-helixtrans-67.1-34.6179.5-173.20000110.9L126 P127 A128 E133 L134 F160 Y165L126-V130 HydrophobicContact CD1-CB 4.2Å; L126-V130 HydrophobicContact CD1-CG1 3.78Å; L126-V130 HydrophobicContact CD2-CG1 4.45Å; L126-V130 HydrophobicContact CG-CB 4.25Å; L126-V130 HydrophobicContact CG-CG1 4.14Å; P127-V130 HydrophobicContact CB-CG2 4.13Å; P127-V130 HydrophobicContact CG-CG2 4.25Å; P127-V130 PolarHBondContact O-N 3.19Å; P127-V130 VanDerWaalsContact O-N 3.07Å; A128-V130 PolarHBondContact O-N 2.82Å; V130-E133 PolarHBondContact O-N 2.94Å; V130-L134 HydrophobicContact CG1-CD1 4.43Å; V130-L134 WeakPolarHBondContact O-CB 3.29Å; V130-L134 VanDerWaalsContact O-CG 3.26Å; V130-L134 WeakPolarHBondContact O-CG 3.33Å; V130-L134 PolarHBondContact O-N 3.15Å; V130-F160 HydrophobicContact CG1-CE2 3.63Å; V130-F160 HydrophobicContact CG1-CZ 3.66Å; V130-Y165 HydrophobicContact CG1-CD2 4.35Å; V130-Y165 HydrophobicContact CG1-CE2 4.11Å; V130-Y165 HydrophobicContact CG2-CD1 4.12Å; V130-Y165 HydrophobicContact CG2-CD2 4.29Å; V130-Y165 HydrophobicContact CG2-CE1 3.69Å; V130-Y165 HydrophobicContact CG2-CE2 3.88Å; V130-Y165 HydrophobicContact CG2-CG 4.4Å
131K87.9Confident77.8Confident36 Ų3664 Ų6416%0.15736%0.361CS..Hα-helixtrans-64.8-35.2170.2-77.6-165.2174.5-157.50112.7L126 P127 A128 V129 K135 A176 D179L126-K131 HydrophobicContact CB-CG 4.25Å; L126-K131 HydrophobicContact CD2-CG 3.91Å; L126-K131 HydrophobicContact CG-CG 4.12Å; P127-K131 PolarHBondContact O-N 2.96Å; A128-K131 CarbonylContact O-C 3.48Å; A128-K131 WeakPolarHBondContact O-CA 3.47Å; A128-K131 WeakPolarHBondContact O-CB 3.1Å; A128-K131 PolarHBondContact O-N 2.86Å; A128-K131 VanDerWaalsContact O-N 3.15Å; V129-K131 VanDerWaalsContact C-N 3.32Å; V129-K131 PolarHBondContact O-N 2.76Å; K131-K135 VanDerWaalsContact O-CG 3.32Å; K131-K135 WeakPolarHBondContact O-CG 3.12Å; K131-K135 PolarHBondContact O-N 3.02Å; K131-A176 WeakPolarHBondContact CE-O 3.44Å; K131-A176 PolarHBondContact NZ-O 3.25Å; K131-D179 IonicContact NZ-OD1 3.65Å; K131-D179 PolarHBondContact NZ-OD1 2.7Å; K131-D179 IonicContact NZ-OD2 3.59Å; K131-D179 PolarHBondContact NZ-OD2 3.21Å
132S85.3Confident80.2Confident51 Ų5158 Ų5836%0.35735%0.349SS..Hα-helixtrans-70.5-43.1171.529.80000112.8A128 V129 L134 K135 D136A128-S132 PolarHBondContact O-N 2.92Å; A128-S132 PolarHBondContact O-OG 3.38Å; A128-S132 VanDerWaalsContact O-OG 3.07Å; V129-S132 VanDerWaalsContact CA-OG 3.3Å; V129-S132 WeakPolarHBondContact CA-OG 3.44Å; V129-S132 PolarHBondContact O-N 3.1Å; V129-S132 PolarHBondContact O-OG 2.82Å; S132-L134 PolarHBondContact O-N 2.97Å; S132-K135 WeakPolarHBondContact O-CB 3.17Å; S132-K135 PolarHBondContact O-N 3.38Å; S132-D136 WeakPolarHBondContact O-CB 3.33Å; S132-D136 PolarHBondContact O-N 3.23Å
133E88.8Confident82.3Confident22 Ų2252.8 Ų52.810%0.10332%0.317CS..Hα-helixtrans-57.3-40.1175.2-68.6179.1121.100111.6V129 V130 L137 F152 F156 R158V129-E133 PolarHBondContact O-N 3.07Å; V130-E133 PolarHBondContact O-N 2.94Å; E133-L137 WeakPolarHBondContact O-CB 3.28Å; E133-L137 PolarHBondContact O-N 3.1Å; E133-F152 HydrophobicContact CB-CE2 3.89Å; E133-F152 HydrophobicContact CB-CZ 4.12Å; E133-F156 HydrophobicContact CB-CE1 4.14Å; E133-F156 HydrophobicContact CB-CE2 4.07Å; E133-F156 HydrophobicContact CB-CZ 3.79Å; E133-F156 HydrophobicContact CG-CD1 4.32Å; E133-F156 HydrophobicContact CG-CE1 4Å; E133-F156 HydrophobicContact CG-CZ 4.18Å; E133-F156 VanDerWaalsContact O-CZ 3.31Å; E133-F156 WeakPolarHBondContact O-CZ 3.45Å; E133-R158 VanDerWaalsContact CD-NH2 3.26Å; E133-R158 IonicContact OE1-CZ 2.79Å; E133-R158 IonicContact OE1-NE 2.76Å; E133-R158 IonicContact OE1-NH2 2.7Å; E133-R158 PolarHBondContact OE1-NH2 2.9Å; E133-R158 IonicContact OE2-NH2 3.7Å; E133-R158 PolarHBondContact OE2-NH2 3.28Å; E133-R158 VanDerWaalsContact OE2-NH2 3.08Å
134L89.1Confident84Confident1 Ų151.7 Ų51.71%0.00531%0.307CS..Hα-helixtrans-69.4-38174.4-69.1171.9000113.4L126 V130 S132 L138 F148 F160 V173 A177 I181L126-L134 HydrophobicContact CD2-CD1 3.63Å; V130-L134 HydrophobicContact CG1-CD1 4.43Å; V130-L134 WeakPolarHBondContact O-CB 3.29Å; V130-L134 VanDerWaalsContact O-CG 3.26Å; V130-L134 WeakPolarHBondContact O-CG 3.33Å; V130-L134 PolarHBondContact O-N 3.15Å; S132-L134 PolarHBondContact O-N 2.97Å; L134-L138 WeakPolarHBondContact O-CG 3.15Å; L134-L138 PolarHBondContact O-N 3.46Å; L134-F148 HydrophobicContact CD2-CE2 3.52Å; L134-F148 HydrophobicContact CD2-CZ 3.52Å; L134-F160 HydrophobicContact CD1-CZ 4.39Å; L134-F160 HydrophobicContact CD2-CE2 4.15Å; L134-F160 HydrophobicContact CD2-CZ 4.41Å; L134-F160 HydrophobicContact CG-CE2 4.43Å; L134-V173 HydrophobicContact CD1-CG1 4.27Å; L134-A177 HydrophobicContact CD1-CB 4.39Å; L134-I181 HydrophobicContact CB-CD1 4.07Å; L134-I181 HydrophobicContact CD1-CD1 4.08Å; L134-I181 HydrophobicContact CG-CD1 4.47Å
135K89Confident85.2Confident97 Ų9753.1 Ų53.142%0.42231%0.313SS..Hα-helixtrans-58.9-52.4171.5-78.1173-176.7176.70110.3K131 S132 L138 A139 V180 L194K131-K135 VanDerWaalsContact O-CG 3.32Å; K131-K135 WeakPolarHBondContact O-CG 3.12Å; K131-K135 PolarHBondContact O-N 3.02Å; S132-K135 WeakPolarHBondContact O-CB 3.17Å; S132-K135 PolarHBondContact O-N 3.38Å; K135-L138 PolarHBondContact O-N 2.94Å; K135-A139 VanDerWaalsContact O-CB 3.31Å; K135-A139 WeakPolarHBondContact O-CB 3.23Å; K135-A139 PolarHBondContact O-N 2.68Å; K135-V180 HydrophobicContact CD-CG1 4.29Å; K135-V180 VanDerWaalsContact CE-CG2 3.5Å; K135-V180 HydrophobicContact CG-CG1 3.39Å; K135-L194 HydrophobicContact CB-CD1 4.35Å; K135-L194 HydrophobicContact CG-CD1 4.14Å
136D87.6Confident85.9Confident82 Ų8250.1 Ų50.144%0.43931%0.305SS..Hα-helixtrans-60.2-49.7-176.2-79.53000110.4S132 L138 A139 R155 F156S132-D136 WeakPolarHBondContact O-CB 3.33Å; S132-D136 PolarHBondContact O-N 3.23Å; D136-L138 VanDerWaalsContact C-N 3.3Å; D136-L138 PolarHBondContact O-N 3.15Å; D136-A139 WeakPolarHBondContact O-CB 3.24Å; D136-A139 PolarHBondContact O-N 2.78Å; D136-A139 VanDerWaalsContact O-N 3.11Å; D136-R155 VanDerWaalsContact C-NH1 3.28Å; D136-R155 PolarHBondContact O-NH1 3.36Å; D136-R155 PolarHBondContact O-NH2 3.04Å; D136-F156 HydrophobicContact CB-CZ 4.37Å
137L90.1Very high86.3Confident7 Ų752.7 Ų52.74%0.03732%0.318CS..Hα-helixtrans-50.1-51.4177.3-174.663.6000111.4E133 V143 F148 A151 F152 R155 F156E133-L137 WeakPolarHBondContact O-CB 3.28Å; E133-L137 PolarHBondContact O-N 3.1Å; L137-V143 HydrophobicContact CG-CG2 4.39Å; L137-F148 HydrophobicContact CD2-CD2 3.91Å; L137-F148 HydrophobicContact CD2-CE2 3.59Å; L137-F148 HydrophobicContact CD2-CZ 4.43Å; L137-A151 HydrophobicContact CD1-CB 4.16Å; L137-A151 WeakPolarHBondContact CD1-O 3.47Å; L137-F152 HydrophobicContact CD2-CB 4.2Å; L137-F152 HydrophobicContact CD2-CD2 4.07Å; L137-R155 VanDerWaalsContact CA-NH1 3.32Å; L137-R155 HydrophobicContact CD1-CB 4.28Å; L137-R155 PolarHBondContact O-NH1 3.04Å; L137-F156 HydrophobicContact CB-CE2 4.24Å
138L88.9Confident86.7Confident8 Ų850.2 Ų50.24%0.04230%0.302CS..Hα-helixtrans-81.5-10.5-176.2-58.4179.8000114.1L134 K135 D136 V143 I181 L192 L194L134-L138 WeakPolarHBondContact O-CG 3.15Å; L134-L138 PolarHBondContact O-N 3.46Å; K135-L138 PolarHBondContact O-N 2.94Å; D136-L138 VanDerWaalsContact C-N 3.3Å; D136-L138 PolarHBondContact O-N 3.15Å; L138-V143 HydrophobicContact CD2-CB 3.94Å; L138-V143 HydrophobicContact CD2-CG2 3.92Å; L138-I181 HydrophobicContact CD1-CB 4.39Å; L138-I181 HydrophobicContact CD1-CD1 4.07Å; L138-I181 HydrophobicContact CD1-CG1 3.93Å; L138-I181 HydrophobicContact CD1-CG2 3.77Å; L138-L192 HydrophobicContact CD1-CB 4.03Å; L138-L192 HydrophobicContact CD2-CB 3.73Å; L138-L194 HydrophobicContact CB-CB 4.09Å
139A82.4Confident87.1Confident63 Ų6351.5 Ų51.552%0.52129%0.294SS..Hα-helixtrans-74.6-23.6176.700000113.5K135 D136 L194K135-A139 VanDerWaalsContact O-CB 3.31Å; K135-A139 WeakPolarHBondContact O-CB 3.23Å; K135-A139 PolarHBondContact O-N 2.68Å; D136-A139 WeakPolarHBondContact O-CB 3.24Å; D136-A139 PolarHBondContact O-N 2.78Å; D136-A139 VanDerWaalsContact O-N 3.11Å; A139-L194 HydrophobicContact CB-CD2 4.16Å
140L72.9Confident87.4Confident137 Ų13754.8 Ų54.872%0.71730%0.303SS*.Hα-helixtrans-84.4-43.8174.6-68.2-174.8000112.3R155L140-R155 VanDerWaalsContact CG-NH1 3.32Å
141S79.3Confident87.5Confident62 Ų6255.9 Ų55.943%0.43431%0.312SS..  trans-160.6149.5-179.356.80000111.5
142P89.3Confident87.7Confident77 Ų7754.2 Ų54.250%0.531%0.305SS..  trans-54.8144.5162.8-25.936.8000112.5L191 L192 T193P142-L191 HydrophobicContact CB-CD1 3.83Å; P142-L191 HydrophobicContact CB-CD2 3.82Å; P142-L191 HydrophobicContact CB-CG 3.84Å; P142-L192 VanDerWaalsContact CA-O 3.26Å; P142-L192 WeakPolarHBondContact CA-O 3.49Å; P142-T193 HydrophobicContact CB-CG2 3.94Å; P142-T193 HydrophobicContact CG-CG2 4.06Å
143V91.4Very high87.9Confident12 Ų1253.5 Ų53.57%0.07330%0.302CS..EExtended strand (participates in β ladder)trans-128.2129.6-175.9178.50000110.1L137 L138 F148 A151 L192L137-V143 HydrophobicContact CG-CG2 4.39Å; L138-V143 HydrophobicContact CD2-CB 3.94Å; L138-V143 HydrophobicContact CD2-CG2 3.92Å; V143-F148 HydrophobicContact CG1-CB 4.33Å; V143-A151 HydrophobicContact CG1-CB 3.75Å; V143-A151 HydrophobicContact CG2-CB 4.23Å; V143-L192 PolarHBondContact N-O 2.93Å; V143-L192 VanDerWaalsContact N-O 3.1Å; V143-L192 WeakPolarHBondContact O-CB 3.4Å; V143-L192 PolarHBondContact O-N 2.82Å
144L89.9Confident87.9Confident44 Ų4461.8 Ų61.823%0.2334%0.338CS..EExtended strand (participates in β ladder)trans-70.7139.9172.9-74.7170.5000110.1S146 D147 F148 A188 L191L144-S146 WeakPolarHBondContact CB-OG 3.47Å; L144-S146 PolarHBondContact O-N 3.06Å; L144-S146 VanDerWaalsContact O-N 3.17Å; L144-D147 CarbonylContact O-C 3.48Å; L144-D147 PolarHBondContact O-N 2.9Å; L144-F148 PolarHBondContact O-N 3.28Å; L144-A188 HydrophobicContact CD1-CB 3.89Å; L144-A188 HydrophobicContact CD2-CB 4.26Å; L144-L191 HydrophobicContact CD2-CB 4.11Å; L144-L191 HydrophobicContact CD2-CD1 3.81Å; L144-L191 HydrophobicContact CG-CD1 3.92Å
145L90.1Very high87.7Confident64 Ų6466 Ų6634%0.33535%0.354SS..THydrogen-bonded Turntrans-59.6-28.8-179.1-173.258.3000112.9D147 F148 M170 L174 S190 L192L145-D147 PolarHBondContact O-N 2.7Å; L145-F148 HydrophobicContact CD1-CB 4.44Å; L145-M170 HydrophobicContact CD1-CG 3.79Å; L145-L174 HydrophobicContact CD1-CD1 3.94Å; L145-L174 HydrophobicContact CD2-CD1 4.33Å; L145-S190 WeakPolarHBondContact CB-O 3.33Å; L145-S190 PolarHBondContact N-O 2.96Å; L145-L192 HydrophobicContact CD1-CD1 4.29Å
146S88.4Confident87.5Confident79 Ų7964 Ų6455%0.55235%0.345SS*.THydrogen-bonded Turntrans-64.1-23.417249.40000114.7L144L144-S146 WeakPolarHBondContact CB-OG 3.47Å; L144-S146 PolarHBondContact O-N 3.06Å; L144-S146 VanDerWaalsContact O-N 3.17Å
147D89.6Confident87.3Confident58 Ų5863.8 Ų63.831%0.3136%0.362SS..THydrogen-bonded Turntrans-121.54.7-174.1-61-78.7000111.7L144 L145 E149 K150 A151L144-D147 CarbonylContact O-C 3.48Å; L144-D147 PolarHBondContact O-N 2.9Å; L145-D147 PolarHBondContact O-N 2.7Å; D147-E149 VanDerWaalsContact C-N 3.35Å; D147-E149 PolarHBondContact O-N 3.09Å; D147-K150 PolarHBondContact O-N 3.37Å; D147-K150 IonicContact OD1-NZ 3.39Å; D147-K150 PolarHBondContact OD1-NZ 2.96Å; D147-A151 WeakPolarHBondContact O-CB 3.4Å; D147-A151 PolarHBondContact O-N 3.15Å
148F92.1Very high87.3Confident2 Ų268.8 Ų68.81%0.00938%0.381CS..Hα-helixtrans-54.7-48.2179170.3-94.2000111.9L134 L137 V143 L144 L145 K150 A151 F152 F160 M170 L192L134-F148 HydrophobicContact CD2-CE2 3.52Å; L134-F148 HydrophobicContact CD2-CZ 3.52Å; L137-F148 HydrophobicContact CD2-CD2 3.91Å; L137-F148 HydrophobicContact CD2-CE2 3.59Å; L137-F148 HydrophobicContact CD2-CZ 4.43Å; V143-F148 HydrophobicContact CG1-CB 4.33Å; L144-F148 PolarHBondContact O-N 3.28Å; L145-F148 HydrophobicContact CD1-CB 4.44Å; F148-K150 PolarHBondContact O-N 2.81Å; F148-A151 PolarHBondContact O-N 3.25Å; F148-F152 HydrophobicContact CE1-CB 4.46Å; F148-F152 HydrophobicContact CE2-CD2 4.48Å; F148-F152 HydrophobicContact CZ-CB 4.38Å; F148-F152 AromaticContact CZ-CD2 3.96Å; F148-F152 HydrophobicContact CZ-CD2 3.96Å; F148-F152 HydrophobicContact CZ-CG 4.43Å; F148-F152 WeakPolarHBondContact O-CB 3.38Å; F148-F152 PolarHBondContact O-N 3.39Å; F148-F160 HydrophobicContact CE1-CB 3.76Å; F148-F160 AromaticContact CE1-CD1 3.91Å; F148-F160 HydrophobicContact CE1-CD1 3.91Å; F148-F160 HydrophobicContact CE1-CD2 4.07Å; F148-F160 AromaticContact CE1-CG 3.63Å; F148-F160 HydrophobicContact CE1-CG 3.63Å; F148-F160 HydrophobicContact CZ-CB 4.44Å; F148-F160 HydrophobicContact CZ-CD1 4.35Å; F148-F160 AromaticContact CZ-CD2 3.94Å; F148-F160 HydrophobicContact CZ-CD2 3.94Å; F148-F160 HydrophobicContact CZ-CE2 4.24Å; F148-F160 AromaticContact CZ-CG 3.99Å; F148-F160 HydrophobicContact CZ-CG 3.99Å; F148-M170 HydrophobicContact CD1-CE 3.65Å; F148-M170 HydrophobicContact CD1-SD 4.09Å; F148-M170 HydrophobicContact CE1-CE 3.53Å; F148-M170 HydrophobicContact CE1-SD 3.85Å; F148-M170 HydrophobicContact CZ-SD 4.45Å; F148-L192 HydrophobicContact CB-CD1 4.46Å; F148-L192 HydrophobicContact CD2-CD1 3.64Å; F148-L192 HydrophobicContact CE2-CD1 4.31Å; F148-L192 HydrophobicContact CG-CD1 4.28Å
149E89.2Confident87.1Confident110 Ų11071 Ų7151%0.51440%0.397SS..Hα-helixtrans-66-39.5-178.7-176.6158.1-141.800112.2D147 F152 A153D147-E149 VanDerWaalsContact C-N 3.35Å; D147-E149 PolarHBondContact O-N 3.09Å; E149-F152 PolarHBondContact O-N 2.77Å; E149-A153 VanDerWaalsContact O-CB 3.24Å; E149-A153 WeakPolarHBondContact O-CB 3.44Å; E149-A153 PolarHBondContact O-N 3.02Å
150K88.6Confident87.4Confident135 Ų13568.2 Ų68.259%0.58737%0.373SS*.Hα-helixtrans-63.6-41.8174-55.4173.1-163.81580111.3D147 F148 K154D147-K150 PolarHBondContact O-N 3.37Å; D147-K150 IonicContact OD1-NZ 3.39Å; D147-K150 PolarHBondContact OD1-NZ 2.96Å; F148-K150 PolarHBondContact O-N 2.81Å; K150-K154 WeakPolarHBondContact O-CB 3.48Å; K150-K154 PolarHBondContact O-N 2.89Å
151A88.7Confident87.9Confident26 Ų2666.4 Ų66.422%0.21536%0.361CS..Hα-helixtrans-69.7-39.6179.200000112.2L137 V143 D147 F148 R155L137-A151 HydrophobicContact CD1-CB 4.16Å; L137-A151 WeakPolarHBondContact CD1-O 3.47Å; V143-A151 HydrophobicContact CG1-CB 3.75Å; V143-A151 HydrophobicContact CG2-CB 4.23Å; D147-A151 WeakPolarHBondContact O-CB 3.4Å; D147-A151 PolarHBondContact O-N 3.15Å; F148-A151 PolarHBondContact O-N 3.25Å; A151-R155 WeakPolarHBondContact O-CB 3.49Å; A151-R155 PolarHBondContact O-N 3.15Å
152F91.4Very high88Confident1 Ų167.2 Ų67.20%0.00436%0.355CS..Hα-helixtrans-66.9-50.7175.7-166.6-81.5000110.6E133 L137 F148 E149 K154 R155 F156 R158 F160E133-F152 HydrophobicContact CB-CE2 3.89Å; E133-F152 HydrophobicContact CB-CZ 4.12Å; L137-F152 HydrophobicContact CD2-CB 4.2Å; L137-F152 HydrophobicContact CD2-CD2 4.07Å; F148-F152 HydrophobicContact CE1-CB 4.46Å; F148-F152 HydrophobicContact CE2-CD2 4.48Å; F148-F152 HydrophobicContact CZ-CB 4.38Å; F148-F152 AromaticContact CZ-CD2 3.96Å; F148-F152 HydrophobicContact CZ-CD2 3.96Å; F148-F152 HydrophobicContact CZ-CG 4.43Å; F148-F152 WeakPolarHBondContact O-CB 3.38Å; F148-F152 PolarHBondContact O-N 3.39Å; E149-F152 PolarHBondContact O-N 2.77Å; F152-K154 PolarHBondContact O-N 3.26Å; F152-R155 PolarHBondContact O-N 3.17Å; F152-F156 HydrophobicContact CD1-CB 4.35Å; F152-F156 AromaticContact CD1-CD2 3.88Å; F152-F156 HydrophobicContact CD1-CD2 3.88Å; F152-F156 AromaticContact CD2-CD2 3.67Å; F152-F156 HydrophobicContact CD2-CD2 3.67Å; F152-F156 AromaticContact CD2-CE2 3.82Å; F152-F156 HydrophobicContact CD2-CE2 3.82Å; F152-F156 HydrophobicContact CE1-CB 3.93Å; F152-F156 AromaticContact CE1-CD2 3.73Å; F152-F156 HydrophobicContact CE1-CD2 3.73Å; F152-F156 HydrophobicContact CE1-CG 4.15Å; F152-F156 AromaticContact CE2-CD2 3.51Å; F152-F156 HydrophobicContact CE2-CD2 3.51Å; F152-F156 AromaticContact CE2-CE2 3.63Å; F152-F156 HydrophobicContact CE2-CE2 3.63Å; F152-F156 HydrophobicContact CE2-CG 4.44Å; F152-F156 AromaticContact CG-CD2 3.84Å; F152-F156 HydrophobicContact CG-CD2 3.84Å; F152-F156 HydrophobicContact CG-CE2 4.39Å; F152-F156 HydrophobicContact CZ-CB 4.3Å; F152-F156 AromaticContact CZ-CD2 3.53Å; F152-F156 HydrophobicContact CZ-CD2 3.53Å; F152-F156 HydrophobicContact CZ-CE2 4.08Å; F152-F156 HydrophobicContact CZ-CG 4.06Å; F152-F156 WeakPolarHBondContact O-CD2 3.41Å; F152-F156 PolarHBondContact O-N 2.83Å; F152-R158 WeakPolarHBondContact CD1-O 3.44Å; F152-R158 HydrophobicContact CE1-CG 4.11Å; F152-F160 HydrophobicContact CD1-CB 4.12Å; F152-F160 HydrophobicContact CD1-CD2 4.07Å; F152-F160 AromaticContact CD2-CD2 3.68Å; F152-F160 HydrophobicContact CD2-CD2 3.68Å; F152-F160 HydrophobicContact CD2-CE2 4.28Å; F152-F160 AromaticContact CE1-CD2 3.89Å; F152-F160 HydrophobicContact CE1-CD2 3.89Å; F152-F160 AromaticContact CE2-CD2 3.48Å; F152-F160 HydrophobicContact CE2-CD2 3.48Å; F152-F160 VanDerWaalsContact CE2-CD2 3.48Å; F152-F160 AromaticContact CE2-CE2 3.8Å; F152-F160 HydrophobicContact CE2-CE2 3.8Å; F152-F160 HydrophobicContact CG-CB 4.25Å; F152-F160 HydrophobicContact CG-CD2 4Å; F152-F160 AromaticContact CZ-CD2 3.61Å; F152-F160 HydrophobicContact CZ-CD2 3.61Å; F152-F160 HydrophobicContact CZ-CE2 4.09Å
153A88.9Confident87.1Confident36 Ų3668.6 Ų68.630%0.29836%0.356SS..Hα-helixtrans-60.5-42.1177.700000112.6E149 R155 G157 R158E149-A153 VanDerWaalsContact O-CB 3.24Å; E149-A153 WeakPolarHBondContact O-CB 3.44Å; E149-A153 PolarHBondContact O-N 3.02Å; A153-R155 PolarHBondContact O-N 3.19Å; A153-G157 WeakPolarHBondContact O-CA 3.13Å; A153-G157 PolarHBondContact O-N 2.84Å; A153-R158 VanDerWaalsContact CA-O 3.28Å; A153-R158 WeakPolarHBondContact CA-O 3.47Å
154K88Confident86.3Confident196 Ų19674.3 Ų74.385%0.85238%0.382SS*.Hα-helixtrans-61.4-23.2174.9-178.4172.1179.9179.30113.6K150 F152K150-K154 WeakPolarHBondContact O-CB 3.48Å; K150-K154 PolarHBondContact O-N 2.89Å; F152-K154 PolarHBondContact O-N 3.26Å
155R85Confident85.6Confident91 Ų9174.7 Ų74.734%0.34338%0.38SS..Hα-helixtrans-101.1-36.9-176.4-174170.4-174.7155.3-6.4114.2D136 L137 L140 A151 F152 A153D136-R155 VanDerWaalsContact C-NH1 3.28Å; D136-R155 PolarHBondContact O-NH1 3.36Å; D136-R155 PolarHBondContact O-NH2 3.04Å; L137-R155 VanDerWaalsContact CA-NH1 3.32Å; L137-R155 HydrophobicContact CD1-CB 4.28Å; L137-R155 PolarHBondContact O-NH1 3.04Å; L140-R155 VanDerWaalsContact CG-NH1 3.32Å; A151-R155 WeakPolarHBondContact O-CB 3.49Å; A151-R155 PolarHBondContact O-N 3.15Å; F152-R155 PolarHBondContact O-N 3.17Å; A153-R155 PolarHBondContact O-N 3.19Å
156F86.8Confident84.7Confident54 Ų5473.5 Ų73.524%0.23738%0.384CS..Hα-helixtrans-115.63.9-173.1-56.5-72.5000113.4E133 D136 L137 F152 R158E133-F156 HydrophobicContact CB-CE1 4.14Å; E133-F156 HydrophobicContact CB-CE2 4.07Å; E133-F156 HydrophobicContact CB-CZ 3.79Å; E133-F156 HydrophobicContact CG-CD1 4.32Å; E133-F156 HydrophobicContact CG-CE1 4Å; E133-F156 HydrophobicContact CG-CZ 4.18Å; E133-F156 VanDerWaalsContact O-CZ 3.31Å; E133-F156 WeakPolarHBondContact O-CZ 3.45Å; D136-F156 HydrophobicContact CB-CZ 4.37Å; L137-F156 HydrophobicContact CB-CE2 4.24Å; F152-F156 HydrophobicContact CD1-CB 4.35Å; F152-F156 AromaticContact CD1-CD2 3.88Å; F152-F156 HydrophobicContact CD1-CD2 3.88Å; F152-F156 AromaticContact CD2-CD2 3.67Å; F152-F156 HydrophobicContact CD2-CD2 3.67Å; F152-F156 AromaticContact CD2-CE2 3.82Å; F152-F156 HydrophobicContact CD2-CE2 3.82Å; F152-F156 HydrophobicContact CE1-CB 3.93Å; F152-F156 AromaticContact CE1-CD2 3.73Å; F152-F156 HydrophobicContact CE1-CD2 3.73Å; F152-F156 HydrophobicContact CE1-CG 4.15Å; F152-F156 AromaticContact CE2-CD2 3.51Å; F152-F156 HydrophobicContact CE2-CD2 3.51Å; F152-F156 AromaticContact CE2-CE2 3.63Å; F152-F156 HydrophobicContact CE2-CE2 3.63Å; F152-F156 HydrophobicContact CE2-CG 4.44Å; F152-F156 AromaticContact CG-CD2 3.84Å; F152-F156 HydrophobicContact CG-CD2 3.84Å; F152-F156 HydrophobicContact CG-CE2 4.39Å; F152-F156 HydrophobicContact CZ-CB 4.3Å; F152-F156 AromaticContact CZ-CD2 3.53Å; F152-F156 HydrophobicContact CZ-CD2 3.53Å; F152-F156 HydrophobicContact CZ-CE2 4.08Å; F152-F156 HydrophobicContact CZ-CG 4.06Å; F152-F156 WeakPolarHBondContact O-CD2 3.41Å; F152-F156 PolarHBondContact O-N 2.83Å; F156-R158 HydrophobicContact CB-CG 4.34Å; F156-R158 PolarHBondContact O-N 3.38Å; F156-R158 VanDerWaalsContact O-N 3.17Å
157G82.9Confident84.2Confident77 Ų7770 Ų7079%0.79436%0.359SS*.SBendtrans714.6176.300000115.5A153A153-G157 WeakPolarHBondContact O-CA 3.13Å; A153-G157 PolarHBondContact O-N 2.84Å
158R89.1Confident83.5Confident113 Ų11372.2 Ų72.243%0.42637%0.37SS..SBendtrans-141.5150.9-172.665.9-169-175.8144.4-0.4112.3E133 F152 A153 F156E133-R158 VanDerWaalsContact CD-NH2 3.26Å; E133-R158 IonicContact OE1-CZ 2.79Å; E133-R158 IonicContact OE1-NE 2.76Å; E133-R158 IonicContact OE1-NH2 2.7Å; E133-R158 PolarHBondContact OE1-NH2 2.9Å; E133-R158 IonicContact OE2-NH2 3.7Å; E133-R158 PolarHBondContact OE2-NH2 3.28Å; E133-R158 VanDerWaalsContact OE2-NH2 3.08Å; F152-R158 WeakPolarHBondContact CD1-O 3.44Å; F152-R158 HydrophobicContact CE1-CG 4.11Å; A153-R158 VanDerWaalsContact CA-O 3.28Å; A153-R158 WeakPolarHBondContact CA-O 3.47Å; F156-R158 HydrophobicContact CB-CG 4.34Å; F156-R158 PolarHBondContact O-N 3.38Å; F156-R158 VanDerWaalsContact O-N 3.17Å
159S84.6Confident83Confident55 Ų5574 Ų7439%0.38538%0.383SS..  trans-71.3159.3172.253.80000111.7Q161S159-Q161 PolarHBondContact O-N 2.97Å
160F88.8Confident82.7Confident3 Ų370.6 Ų70.61%0.01337%0.368CS..  trans-9283.6-176.5-167.9-91000111.1V130 L134 F148 F152 Y162 M170 V173V130-F160 HydrophobicContact CG1-CE2 3.63Å; V130-F160 HydrophobicContact CG1-CZ 3.66Å; L134-F160 HydrophobicContact CD1-CZ 4.39Å; L134-F160 HydrophobicContact CD2-CE2 4.15Å; L134-F160 HydrophobicContact CD2-CZ 4.41Å; L134-F160 HydrophobicContact CG-CE2 4.43Å; F148-F160 HydrophobicContact CE1-CB 3.76Å; F148-F160 AromaticContact CE1-CD1 3.91Å; F148-F160 HydrophobicContact CE1-CD1 3.91Å; F148-F160 HydrophobicContact CE1-CD2 4.07Å; F148-F160 AromaticContact CE1-CG 3.63Å; F148-F160 HydrophobicContact CE1-CG 3.63Å; F148-F160 HydrophobicContact CZ-CB 4.44Å; F148-F160 HydrophobicContact CZ-CD1 4.35Å; F148-F160 AromaticContact CZ-CD2 3.94Å; F148-F160 HydrophobicContact CZ-CD2 3.94Å; F148-F160 HydrophobicContact CZ-CE2 4.24Å; F148-F160 AromaticContact CZ-CG 3.99Å; F148-F160 HydrophobicContact CZ-CG 3.99Å; F152-F160 HydrophobicContact CD1-CB 4.12Å; F152-F160 HydrophobicContact CD1-CD2 4.07Å; F152-F160 AromaticContact CD2-CD2 3.68Å; F152-F160 HydrophobicContact CD2-CD2 3.68Å; F152-F160 HydrophobicContact CD2-CE2 4.28Å; F152-F160 AromaticContact CE1-CD2 3.89Å; F152-F160 HydrophobicContact CE1-CD2 3.89Å; F152-F160 AromaticContact CE2-CD2 3.48Å; F152-F160 HydrophobicContact CE2-CD2 3.48Å; F152-F160 VanDerWaalsContact CE2-CD2 3.48Å; F152-F160 AromaticContact CE2-CE2 3.8Å; F152-F160 HydrophobicContact CE2-CE2 3.8Å; F152-F160 HydrophobicContact CG-CB 4.25Å; F152-F160 HydrophobicContact CG-CD2 4Å; F152-F160 AromaticContact CZ-CD2 3.61Å; F152-F160 HydrophobicContact CZ-CD2 3.61Å; F152-F160 HydrophobicContact CZ-CE2 4.09Å; F160-Y162 VanDerWaalsContact C-N 3.28Å; F160-Y162 HydrophobicContact CD1-CD1 4.47Å; F160-Y162 WeakPolarHBondContact O-CD1 3.4Å; F160-Y162 PolarHBondContact O-N 3.37Å; F160-M170 HydrophobicContact CD1-CE 3.61Å; F160-M170 HydrophobicContact CD1-SD 4.17Å; F160-M170 HydrophobicContact CE1-CE 4.19Å; F160-M170 HydrophobicContact CE1-SD 4.16Å; F160-M170 HydrophobicContact CG-CE 4.41Å; F160-V173 HydrophobicContact CE1-CG1 3.89Å; F160-V173 HydrophobicContact CE1-CG2 4.24Å; F160-V173 HydrophobicContact CZ-CG1 3.92Å
161Q83.3Confident82.3Confident99 Ų9971.6 Ų71.646%0.46337%0.372SS..  trans-78.470.1-174-64.8-177.8-39.300112.5S159 M163 Q164S159-Q161 PolarHBondContact O-N 2.97Å; Q161-M163 PolarHBondContact O-N 3.17Å; Q161-Q164 HydrophobicContact CB-CG 4.14Å; Q161-Q164 WeakPolarHBondContact O-CB 3.33Å; Q161-Q164 PolarHBondContact O-N 2.73Å
162Y82.6Confident82Confident79 Ų7972.5 Ų72.531%0.3137%0.372SS..THydrogen-bonded Turntrans-54.2-27.5-175.455.3-87.8000115.1F160 Q164 Y165 F167 S169 M170F160-Y162 VanDerWaalsContact C-N 3.28Å; F160-Y162 HydrophobicContact CD1-CD1 4.47Å; F160-Y162 WeakPolarHBondContact O-CD1 3.4Å; F160-Y162 PolarHBondContact O-N 3.37Å; Y162-Q164 VanDerWaalsContact C-N 3.33Å; Y162-Q164 PolarHBondContact O-N 3.38Å; Y162-Y165 PolarHBondContact O-N 2.9Å; Y162-F167 WeakPolarHBondContact CD2-O 3.42Å; Y162-F167 PolarHBondContact O-N 3.02Å; Y162-S169 VanDerWaalsContact CE2-CA 3.5Å; Y162-M170 HydrophobicContact CD1-CE 3.96Å; Y162-M170 HydrophobicContact CE1-CE 4.45Å
163M70.9Confident81.7Confident107 Ų10772.5 Ų72.553%0.52737%0.372SS..THydrogen-bonded Turntrans-60.5-36.1173-72.6-73.5168.200113.4Q161 Y165 G166 L168Q161-M163 PolarHBondContact O-N 3.17Å; M163-Y165 PolarHBondContact O-N 3Å; M163-G166 PolarHBondContact O-N 3.11Å; M163-L168 HydrophobicContact CE-CD2 4.31Å; M163-L168 WeakPolarHBondContact CE-O 3.28Å; M163-L168 HydrophobicContact SD-CD2 4.34Å
164Q74.5Confident81.7Confident131 Ų13171.5 Ų71.561%0.61236%0.362SS*.THydrogen-bonded Turntrans-65.7-29.8178.2-69.5175.2-12.500112.1Q161 Y162 G166Q161-Q164 HydrophobicContact CB-CG 4.14Å; Q161-Q164 WeakPolarHBondContact O-CB 3.33Å; Q161-Q164 PolarHBondContact O-N 2.73Å; Y162-Q164 VanDerWaalsContact C-N 3.33Å; Y162-Q164 PolarHBondContact O-N 3.38Å; Q164-G166 PolarHBondContact O-N 3.46Å
165Y75.1Confident81.4Confident52 Ų5264.5 Ų64.520%0.20433%0.334CS..THydrogen-bonded Turntrans-867.9174.7-47.6-53.4000112.7P127 V130 Y162 M163 F167P127-Y165 HydrophobicContact CG-CD1 4.25Å; V130-Y165 HydrophobicContact CG1-CD2 4.35Å; V130-Y165 HydrophobicContact CG1-CE2 4.11Å; V130-Y165 HydrophobicContact CG2-CD1 4.12Å; V130-Y165 HydrophobicContact CG2-CD2 4.29Å; V130-Y165 HydrophobicContact CG2-CE1 3.69Å; V130-Y165 HydrophobicContact CG2-CE2 3.88Å; V130-Y165 HydrophobicContact CG2-CG 4.4Å; Y162-Y165 PolarHBondContact O-N 2.9Å; M163-Y165 PolarHBondContact O-N 3Å; Y165-F167 VanDerWaalsContact O-CD2 3.29Å; Y165-F167 WeakPolarHBondContact O-CD2 3.27Å; Y165-F167 VanDerWaalsContact O-CE2 3.27Å; Y165-F167 WeakPolarHBondContact O-CE2 3.46Å
166G69.6Low81.4Confident40 Ų4061.6 Ų61.641%0.41233%0.329SS..THydrogen-bonded Turntrans85.5617400000116.2Y118 M163 Q164Y118-G166 PolarHBondContact OH-O 2.69Å; M163-G166 PolarHBondContact O-N 3.11Å; Q164-G166 PolarHBondContact O-N 3.46Å
167F78.8Confident81.4Confident4 Ų459 Ų592%0.01832%0.318CS..  trans-90.9137.2-179.1-61.6-88.5000111.5P124 L126 Y162 Y165 E172 V173 A176P124-F167 HydrophobicContact CB-CD1 4.43Å; P124-F167 HydrophobicContact CB-CE1 4.05Å; P124-F167 HydrophobicContact CB-CE2 4.12Å; P124-F167 HydrophobicContact CB-CZ 3.87Å; P124-F167 HydrophobicContact CG-CD1 3.72Å; P124-F167 HydrophobicContact CG-CE1 3.64Å; P124-F167 HydrophobicContact CG-CE2 4.41Å; P124-F167 HydrophobicContact CG-CG 4.17Å; P124-F167 HydrophobicContact CG-CZ 4Å; P124-F167 WeakPolarHBondContact O-CE1 3.31Å; P124-F167 VanDerWaalsContact O-CZ 3.25Å; P124-F167 WeakPolarHBondContact O-CZ 3.41Å; L126-F167 HydrophobicContact CB-CE2 4.17Å; L126-F167 HydrophobicContact CB-CZ 3.81Å; L126-F167 HydrophobicContact CD1-CD2 4.23Å; L126-F167 HydrophobicContact CD1-CE2 3.47Å; L126-F167 VanDerWaalsContact CD1-CE2 3.47Å; L126-F167 HydrophobicContact CD1-CZ 3.93Å; L126-F167 HydrophobicContact CG-CE2 4.44Å; L126-F167 HydrophobicContact CG-CZ 4.48Å; Y162-F167 WeakPolarHBondContact CD2-O 3.42Å; Y162-F167 PolarHBondContact O-N 3.02Å; Y165-F167 VanDerWaalsContact O-CD2 3.29Å; Y165-F167 WeakPolarHBondContact O-CD2 3.27Å; Y165-F167 VanDerWaalsContact O-CE2 3.27Å; Y165-F167 WeakPolarHBondContact O-CE2 3.46Å; F167-E172 HydrophobicContact CB-CB 4.36Å; F167-E172 HydrophobicContact CD1-CB 3.72Å; F167-V173 HydrophobicContact CB-CG2 3.69Å; F167-V173 HydrophobicContact CD1-CG2 4.06Å; F167-V173 HydrophobicContact CD2-CG2 3.81Å; F167-V173 HydrophobicContact CG-CG2 3.57Å; F167-A176 HydrophobicContact CE1-CB 3.64Å; F167-A176 HydrophobicContact CZ-CB 3.95Å
168L74.1Confident81.5Confident105 Ų10558.1 Ų58.155%0.5530%0.299SS..SBendtrans-84.8-12.2178.5-69.2170.9000113.2Y118 M163 E172Y118-L168 HydrophobicContact CE1-CD1 4.21Å; Y118-L168 HydrophobicContact CE2-CD1 4.3Å; Y118-L168 WeakPolarHBondContact OH-CG 3.4Å; M163-L168 HydrophobicContact CE-CD2 4.31Å; M163-L168 WeakPolarHBondContact CE-O 3.28Å; M163-L168 HydrophobicContact SD-CD2 4.34Å; L168-E172 PolarHBondContact N-OE2 2.89Å
169S81.7Confident81.2Confident41 Ų4156.7 Ų56.729%0.28730%0.3SS..SBendtrans-156.9159.8171.969.30000113.1Y162 F171 E172 V173Y162-S169 VanDerWaalsContact CE2-CA 3.5Å; S169-F171 PolarHBondContact O-N 2.82Å; S169-F171 PolarHBondContact OG-N 2.97Å; S169-E172 PolarHBondContact O-N 3.46Å; S169-E172 PolarHBondContact OG-N 3.38Å; S169-V173 PolarHBondContact O-N 2.67Å
170M82.7Confident81.1Confident37 Ų3754.7 Ų54.718%0.18229%0.286CS..Hα-helixtrans-55.1-30.3168.9-169.162.367.100112.8L145 F148 F160 Y162 E172 V173 L174L145-M170 HydrophobicContact CD1-CG 3.79Å; F148-M170 HydrophobicContact CD1-CE 3.65Å; F148-M170 HydrophobicContact CD1-SD 4.09Å; F148-M170 HydrophobicContact CE1-CE 3.53Å; F148-M170 HydrophobicContact CE1-SD 3.85Å; F148-M170 HydrophobicContact CZ-SD 4.45Å; F160-M170 HydrophobicContact CD1-CE 3.61Å; F160-M170 HydrophobicContact CD1-SD 4.17Å; F160-M170 HydrophobicContact CE1-CE 4.19Å; F160-M170 HydrophobicContact CE1-SD 4.16Å; F160-M170 HydrophobicContact CG-CE 4.41Å; Y162-M170 HydrophobicContact CD1-CE 3.96Å; Y162-M170 HydrophobicContact CE1-CE 4.45Å; M170-E172 VanDerWaalsContact C-N 3.33Å; M170-E172 PolarHBondContact O-N 3.28Å; M170-V173 WeakPolarHBondContact O-CB 3.35Å; M170-V173 PolarHBondContact O-N 2.87Å; M170-V173 HydrophobicContact SD-CB 4.44Å; M170-L174 HydrophobicContact CG-CD1 4.36Å; M170-L174 WeakPolarHBondContact O-CG 3.47Å; M170-L174 PolarHBondContact O-N 3.26Å
171F80.7Confident81.1Confident156 Ų15654.9 Ų54.968%0.68429%0.287SS*.Hα-helixtrans-65.3-35.6176.1178.1-99.9000112.3S169 N175S169-F171 PolarHBondContact O-N 2.82Å; S169-F171 PolarHBondContact OG-N 2.97Å; F171-N175 WeakPolarHBondContact O-CB 3.22Å; F171-N175 PolarHBondContact O-N 3.38Å
172E82.1Confident81.4Confident45 Ų4551.9 Ų51.921%0.2128%0.276CS..Hα-helixtrans-70.1-39.1175.1-60.8-170.9140.600111.9Y118 F167 L168 S169 M170 N175 A176Y118-E172 PolarHBondContact OH-OE2 2.83Å; F167-E172 HydrophobicContact CB-CB 4.36Å; F167-E172 HydrophobicContact CD1-CB 3.72Å; L168-E172 PolarHBondContact N-OE2 2.89Å; S169-E172 PolarHBondContact O-N 3.46Å; S169-E172 PolarHBondContact OG-N 3.38Å; M170-E172 VanDerWaalsContact C-N 3.33Å; M170-E172 PolarHBondContact O-N 3.28Å; E172-N175 WeakPolarHBondContact O-CB 3.42Å; E172-N175 PolarHBondContact O-N 3.07Å; E172-A176 WeakPolarHBondContact O-CB 3.28Å; E172-A176 PolarHBondContact O-N 3.25Å
173V85.4Confident81.7Confident1 Ų151.6 Ų51.61%0.00628%0.283CS..Hα-helixtrans-58.4-50.4173.7177.10000110.8L126 L134 F160 F167 S169 M170 N175 A176 A177L126-V173 HydrophobicContact CD1-CG1 4.01Å; L126-V173 HydrophobicContact CD2-CG1 3.8Å; L134-V173 HydrophobicContact CD1-CG1 4.27Å; F160-V173 HydrophobicContact CE1-CG1 3.89Å; F160-V173 HydrophobicContact CE1-CG2 4.24Å; F160-V173 HydrophobicContact CZ-CG1 3.92Å; F167-V173 HydrophobicContact CB-CG2 3.69Å; F167-V173 HydrophobicContact CD1-CG2 4.06Å; F167-V173 HydrophobicContact CD2-CG2 3.81Å; F167-V173 HydrophobicContact CG-CG2 3.57Å; S169-V173 PolarHBondContact O-N 2.67Å; M170-V173 WeakPolarHBondContact O-CB 3.35Å; M170-V173 PolarHBondContact O-N 2.87Å; M170-V173 HydrophobicContact SD-CB 4.44Å; V173-N175 VanDerWaalsContact C-N 3.27Å; V173-N175 PolarHBondContact O-N 2.95Å; V173-A176 CarbonylContact O-C 3.56Å; V173-A176 PolarHBondContact O-N 2.82Å; V173-A176 VanDerWaalsContact O-N 3.17Å; V173-A177 WeakPolarHBondContact O-CB 3.14Å; V173-A177 PolarHBondContact O-N 3.39Å
174L88.4Confident82.4Confident15 Ų1551.2 Ų51.28%0.07928%0.28CS..Hα-helixtrans-63.2-33.1178.3-68.5173.8000112.4L145 M170 A177 S178 I181 V183 L192L145-L174 HydrophobicContact CD1-CD1 3.94Å; L145-L174 HydrophobicContact CD2-CD1 4.33Å; M170-L174 HydrophobicContact CG-CD1 4.36Å; M170-L174 WeakPolarHBondContact O-CG 3.47Å; M170-L174 PolarHBondContact O-N 3.26Å; L174-A177 CarbonylContact O-C 3.53Å; L174-A177 PolarHBondContact O-N 2.89Å; L174-S178 PolarHBondContact O-N 3.39Å; L174-S178 VanDerWaalsContact O-N 3.07Å; L174-I181 HydrophobicContact CD2-CD1 4.06Å; L174-I181 HydrophobicContact CD2-CG2 4.27Å; L174-V183 HydrophobicContact CD1-CG2 4.49Å; L174-L192 HydrophobicContact CD1-CD2 3.87Å; L174-L192 HydrophobicContact CD2-CD1 4.08Å; L174-L192 HydrophobicContact CD2-CD2 3.73Å; L174-L192 HydrophobicContact CG-CD2 4.48Å
175N81.8Confident83Confident50 Ų5051.9 Ų51.927%0.26728%0.283SS..Hα-helixtrans-69.1-42.1174-161-4.8000111.3R115 F171 E172 V173 A177 S178R115-N175 PolarHBondContact NH2-ND2 3.4Å; F171-N175 WeakPolarHBondContact O-CB 3.22Å; F171-N175 PolarHBondContact O-N 3.38Å; E172-N175 WeakPolarHBondContact O-CB 3.42Å; E172-N175 PolarHBondContact O-N 3.07Å; V173-N175 VanDerWaalsContact C-N 3.27Å; V173-N175 PolarHBondContact O-N 2.95Å; N175-A177 VanDerWaalsContact C-N 3.28Å; N175-A177 PolarHBondContact O-N 3.38Å; N175-S178 VanDerWaalsContact O-CB 3.29Å; N175-S178 WeakPolarHBondContact O-CB 3.3Å; N175-S178 PolarHBondContact O-N 2.9Å; N175-S178 PolarHBondContact O-OG 3.17Å
176A84.8Confident83.4Confident29 Ų2952 Ų5224%0.2429%0.289CS..Hα-helixtrans-70-2217500000113.9L126 K131 F167 E172 V173L126-A176 HydrophobicContact CB-CB 4.18Å; K131-A176 WeakPolarHBondContact CE-O 3.44Å; K131-A176 PolarHBondContact NZ-O 3.25Å; F167-A176 HydrophobicContact CE1-CB 3.64Å; F167-A176 HydrophobicContact CZ-CB 3.95Å; E172-A176 WeakPolarHBondContact O-CB 3.28Å; E172-A176 PolarHBondContact O-N 3.25Å; V173-A176 CarbonylContact O-C 3.56Å; V173-A176 PolarHBondContact O-N 2.82Å; V173-A176 VanDerWaalsContact O-N 3.17Å
177A86.8Confident83.7Confident1 Ų162.9 Ų62.91%0.00832%0.318CS..THydrogen-bonded Turntrans-99.610.6173.700000113.8L126 L134 V173 L174 N175 D179 V180 I181L126-A177 HydrophobicContact CD2-CB 3.92Å; L134-A177 HydrophobicContact CD1-CB 4.39Å; V173-A177 WeakPolarHBondContact O-CB 3.14Å; V173-A177 PolarHBondContact O-N 3.39Å; L174-A177 CarbonylContact O-C 3.53Å; L174-A177 PolarHBondContact O-N 2.89Å; N175-A177 VanDerWaalsContact C-N 3.28Å; N175-A177 PolarHBondContact O-N 3.38Å; A177-D179 VanDerWaalsContact CA-OD1 3.3Å; A177-D179 WeakPolarHBondContact CA-OD1 3.49Å; A177-D179 PolarHBondContact O-N 2.88Å; A177-D179 VanDerWaalsContact O-N 3.15Å; A177-V180 CarbonylContact O-C 3.53Å; A177-V180 WeakPolarHBondContact O-CA 3.34Å; A177-V180 PolarHBondContact O-N 3.02Å; A177-I181 HydrophobicContact CB-CD1 3.67Å; A177-I181 HydrophobicContact CB-CG1 4.04Å; A177-I181 PolarHBondContact O-N 3.32Å
178S86.6Confident83.2Confident57 Ų5765.9 Ų65.940%0.39934%0.343SS..THydrogen-bonded Turntrans-69.5-8.2-176.563.30000114.6L174 N175 V180 K195L174-S178 PolarHBondContact O-N 3.39Å; L174-S178 VanDerWaalsContact O-N 3.07Å; N175-S178 VanDerWaalsContact O-CB 3.29Å; N175-S178 WeakPolarHBondContact O-CB 3.3Å; N175-S178 PolarHBondContact O-N 2.9Å; N175-S178 PolarHBondContact O-OG 3.17Å; S178-V180 VanDerWaalsContact C-N 3.31Å; S178-K195 PolarHBondContact O-NZ 3.11Å
179D82.6Confident83.7Confident84 Ų8462.1 Ų62.145%0.44933%0.33SS..THydrogen-bonded Turntrans-67.7-30.7163.856.6-35.4000112.4K131 A177K131-D179 IonicContact NZ-OD1 3.65Å; K131-D179 PolarHBondContact NZ-OD1 2.7Å; K131-D179 IonicContact NZ-OD2 3.59Å; K131-D179 PolarHBondContact NZ-OD2 3.21Å; A177-D179 VanDerWaalsContact CA-OD1 3.3Å; A177-D179 WeakPolarHBondContact CA-OD1 3.49Å; A177-D179 PolarHBondContact O-N 2.88Å; A177-D179 VanDerWaalsContact O-N 3.15Å
180V82.8Confident84.1Confident13 Ų1361.7 Ų61.78%0.07933%0.326CS..THydrogen-bonded Turntrans-112.8-35.3-171.2168.90000113.4K135 A177 S178 L194 K195K135-V180 HydrophobicContact CD-CG1 4.29Å; K135-V180 VanDerWaalsContact CE-CG2 3.5Å; K135-V180 HydrophobicContact CG-CG1 3.39Å; A177-V180 CarbonylContact O-C 3.53Å; A177-V180 WeakPolarHBondContact O-CA 3.34Å; A177-V180 PolarHBondContact O-N 3.02Å; S178-V180 VanDerWaalsContact C-N 3.31Å; V180-L194 HydrophobicContact CG1-CD1 3.9Å; V180-K195 WeakPolarHBondContact O-CB 3.34Å; V180-K195 PolarHBondContact O-N 3.37Å
181I88.7Confident84.5Confident7 Ų761.6 Ų61.64%0.03633%0.327CS..EExtended strand (participates in β ladder)trans-110.5134.5-171.1-52.8179.8000109.6L134 L138 L174 A177 L192L134-I181 HydrophobicContact CB-CD1 4.07Å; L134-I181 HydrophobicContact CD1-CD1 4.08Å; L134-I181 HydrophobicContact CG-CD1 4.47Å; L138-I181 HydrophobicContact CD1-CB 4.39Å; L138-I181 HydrophobicContact CD1-CD1 4.07Å; L138-I181 HydrophobicContact CD1-CG1 3.93Å; L138-I181 HydrophobicContact CD1-CG2 3.77Å; L174-I181 HydrophobicContact CD2-CD1 4.06Å; L174-I181 HydrophobicContact CD2-CG2 4.27Å; A177-I181 HydrophobicContact CB-CD1 3.67Å; A177-I181 HydrophobicContact CB-CG1 4.04Å; A177-I181 PolarHBondContact O-N 3.32Å; I181-L192 HydrophobicContact CG2-CB 4.34Å; I181-L192 HydrophobicContact CG2-CD2 4.4Å
182S87.9Confident85Confident35 Ų3554.2 Ų54.225%0.24529%0.294CS..EExtended strand (participates in β ladder)trans-102.1144.5163.129.80000110.2T193S182-T193 WeakPolarHBondContact CB-OG1 3.23Å; S182-T193 PolarHBondContact N-O 3.33Å; S182-T193 PolarHBondContact O-N 3.07Å; S182-T193 PolarHBondContact O-OG1 3.1Å; S182-T193 PolarHBondContact OG-O 3Å; S182-T193 PolarHBondContact OG-OG1 3.18Å
183V90.7Very high85.4Confident73 Ų7352.8 Ų52.844%0.44229%0.289SS..EExtended strand (participates in β ladder)trans-115.9116.7176.6-173.40000108L174 L191 L192L174-V183 HydrophobicContact CD1-CG2 4.49Å; V183-L191 WeakPolarHBondContact CA-O 3.37Å; V183-L192 HydrophobicContact CG1-CD2 4.29Å; V183-L192 HydrophobicContact CG2-CD2 3.85Å
184E85.3Confident85.6Confident100 Ų10056 Ų5647%0.46731%0.305SS..EExtended strand (participates in β ladder)trans-110.8124-176.6-69.8175-136.300109.9T186 L191 T193E184-T186 PolarHBondContact O-N 3.42Å; E184-L191 PolarHBondContact N-O 2.94Å; E184-L191 PolarHBondContact O-N 2.74Å; E184-T193 WeakPolarHBondContact OE1-CG2 3.39Å; E184-T193 PolarHBondContact OE1-OG1 3.23Å
185Q87Confident85.6Confident145 Ų14560 Ų6068%0.67832%0.322SS*.EExtended strand (participates in β ladder)trans-83.2113.8-178.4-160.865.917.900111.2S190Q185-S190 PolarHBondContact OE1-OG 3.43Å
186T82.8Confident85.3Confident54 Ų5467.2 Ų67.233%0.33135%0.351SS..EExtended strand (participates in β ladder)trans-105.4174.2179.378.60000111.7E184 A188 G189 L191E184-T186 PolarHBondContact O-N 3.42Å; T186-A188 PolarHBondContact O-N 3.16Å; T186-A188 PolarHBondContact OG1-N 3.12Å; T186-A188 VanDerWaalsContact OG1-N 3.07Å; T186-G189 WeakPolarHBondContact CA-O 3.46Å; T186-G189 WeakPolarHBondContact CB-O 3.5Å; T186-G189 PolarHBondContact N-O 2.84Å; T186-G189 PolarHBondContact O-N 3.41Å; T186-G189 PolarHBondContact OG1-N 3.29Å; T186-G189 PolarHBondContact OG1-O 2.72Å; T186-L191 HydrophobicContact CG2-CB 3.64Å; T186-L191 HydrophobicContact CG2-CD2 4.08Å; T186-L191 HydrophobicContact CG2-CG 4.45Å
187R76.9Confident83.8Confident269 Ų26971.6 Ų71.6100%1.01538%0.375SS*.THydrogen-bonded Turntrans-65.8-15.7170.8-66.7-175.8-179.9-128.73.7113.8
188A67.3Low81.9Confident67 Ų6776.9 Ų76.955%0.55442%0.419SS*.THydrogen-bonded Turntrans-102.66.517800000113.1L144 T186L144-A188 HydrophobicContact CD1-CB 3.89Å; L144-A188 HydrophobicContact CD2-CB 4.26Å; T186-A188 PolarHBondContact O-N 3.16Å; T186-A188 PolarHBondContact OG1-N 3.12Å; T186-A188 VanDerWaalsContact OG1-N 3.07Å
189G84.1Confident79.7Confident26 Ų2678.8 Ų78.827%0.26843%0.432SS..EExtended strand (participates in β ladder)trans112-167.4-175.800000113.2T186 L191T186-G189 WeakPolarHBondContact CA-O 3.46Å; T186-G189 WeakPolarHBondContact CB-O 3.5Å; T186-G189 PolarHBondContact N-O 2.84Å; T186-G189 PolarHBondContact O-N 3.41Å; T186-G189 PolarHBondContact OG1-N 3.29Å; T186-G189 PolarHBondContact OG1-O 2.72Å; G189-L191 PolarHBondContact O-N 2.74Å
190S90.4Very high77.7Confident31 Ų3184.3 Ų84.322%0.21746%0.455CS..EExtended strand (participates in β ladder)trans-76.3119-178.2-51.10000110.7L145 Q185L145-S190 WeakPolarHBondContact CB-O 3.33Å; L145-S190 PolarHBondContact N-O 2.96Å; Q185-S190 PolarHBondContact OE1-OG 3.43Å
191L90.9Very high75.3Confident36 Ų3691.2 Ų91.219%0.18849%0.487CS..EExtended strand (participates in β ladder)trans-98.3128.1177.6-173.174.5000109.7P142 L144 V183 E184 T186 G189 T193P142-L191 HydrophobicContact CB-CD1 3.83Å; P142-L191 HydrophobicContact CB-CD2 3.82Å; P142-L191 HydrophobicContact CB-CG 3.84Å; L144-L191 HydrophobicContact CD2-CB 4.11Å; L144-L191 HydrophobicContact CD2-CD1 3.81Å; L144-L191 HydrophobicContact CG-CD1 3.92Å; V183-L191 WeakPolarHBondContact CA-O 3.37Å; E184-L191 PolarHBondContact N-O 2.94Å; E184-L191 PolarHBondContact O-N 2.74Å; T186-L191 HydrophobicContact CG2-CB 3.64Å; T186-L191 HydrophobicContact CG2-CD2 4.08Å; T186-L191 HydrophobicContact CG2-CG 4.45Å; G189-L191 PolarHBondContact O-N 2.74Å; L191-T193 HydrophobicContact CD2-CG2 4.23Å; L191-T193 HydrophobicContact CG-CG2 4.38Å
192L92.8Very high72.7Confident0 Ų099.3 Ų99.30%052%0.522CS..EExtended strand (participates in β ladder)trans-89128.2175.9-52.4-178.9000109.3L138 P142 V143 L145 F148 L174 I181 V183L138-L192 HydrophobicContact CD1-CB 4.03Å; L138-L192 HydrophobicContact CD2-CB 3.73Å; P142-L192 VanDerWaalsContact CA-O 3.26Å; P142-L192 WeakPolarHBondContact CA-O 3.49Å; V143-L192 PolarHBondContact N-O 2.93Å; V143-L192 VanDerWaalsContact N-O 3.1Å; V143-L192 WeakPolarHBondContact O-CB 3.4Å; V143-L192 PolarHBondContact O-N 2.82Å; L145-L192 HydrophobicContact CD1-CD1 4.29Å; F148-L192 HydrophobicContact CB-CD1 4.46Å; F148-L192 HydrophobicContact CD2-CD1 3.64Å; F148-L192 HydrophobicContact CE2-CD1 4.31Å; F148-L192 HydrophobicContact CG-CD1 4.28Å; L174-L192 HydrophobicContact CD1-CD2 3.87Å; L174-L192 HydrophobicContact CD2-CD1 4.08Å; L174-L192 HydrophobicContact CD2-CD2 3.73Å; L174-L192 HydrophobicContact CG-CD2 4.48Å; I181-L192 HydrophobicContact CG2-CB 4.34Å; I181-L192 HydrophobicContact CG2-CD2 4.4Å; V183-L192 HydrophobicContact CG1-CD2 4.29Å; V183-L192 HydrophobicContact CG2-CD2 3.85Å
193T89.4Confident70.1Confident15 Ų15106.9 Ų106.99%0.09255%0.553CS.*EExtended strand (participates in β ladder)trans-128.8146.7178.955.80000110.9P142 S182 E184 L191 K195P142-T193 HydrophobicContact CB-CG2 3.94Å; P142-T193 HydrophobicContact CG-CG2 4.06Å; S182-T193 WeakPolarHBondContact CB-OG1 3.23Å; S182-T193 PolarHBondContact N-O 3.33Å; S182-T193 PolarHBondContact O-N 3.07Å; S182-T193 PolarHBondContact O-OG1 3.1Å; S182-T193 PolarHBondContact OG-O 3Å; S182-T193 PolarHBondContact OG-OG1 3.18Å; E184-T193 WeakPolarHBondContact OE1-CG2 3.39Å; E184-T193 PolarHBondContact OE1-OG1 3.23Å; L191-T193 HydrophobicContact CD2-CG2 4.23Å; L191-T193 HydrophobicContact CG-CG2 4.38Å; T193-K195 PolarHBondContact O-N 3.06Å
194L90.8Very high67.2Low69 Ų69115.3 Ų115.336%0.36158%0.577SS.*EExtended strand (participates in β ladder)trans-75123174.5-173.266.4000110.1K135 L138 A139 V180 K196K135-L194 HydrophobicContact CB-CD1 4.35Å; K135-L194 HydrophobicContact CG-CD1 4.14Å; L138-L194 HydrophobicContact CB-CB 4.09Å; A139-L194 HydrophobicContact CB-CD2 4.16Å; V180-L194 HydrophobicContact CG1-CD1 3.9Å; L194-K196 PolarHBondContact O-N 2.92Å
195K87.6Confident64.4Low98 Ų98114 Ų11443%0.42659%0.59SS.*  trans-77.1107.4-173-168.8-174.1-177-172.60110.7S178 V180 T193 T197S178-K195 PolarHBondContact O-NZ 3.11Å; V180-K195 WeakPolarHBondContact O-CB 3.34Å; V180-K195 PolarHBondContact O-N 3.37Å; T193-K195 PolarHBondContact O-N 3.06Å; K195-T197 PolarHBondContact O-N 2.89Å
196K76.1Confident61.4Low203 Ų203118.8 Ų118.888%0.88360%0.602SS**  trans-65115.7178.4-65.9-174.2178.5-176.20111.3L194 A198L194-K196 PolarHBondContact O-N 2.92Å; K196-A198 PolarHBondContact O-N 3.21Å
197T52.4Low59.1Low120 Ų120122 Ų12274%0.73662%0.624SS**  trans-73.5118.4172.745.80000110.5K195 S199K195-T197 PolarHBondContact O-N 2.89Å; T197-S199 PolarHBondContact O-N 3.4Å; T197-S199 VanDerWaalsContact O-N 3.14Å
198A46.8Very low56.7Low112 Ų112114.2 Ų114.293%0.92662%0.617SS**  trans-82.689.3-177.900000111.6K196K196-A198 PolarHBondContact O-N 3.21Å
199S41.1Very low54.8Low98 Ų98114.8 Ų114.869%0.68563%0.629SS**  trans-142.259.4175.563.10000112.7T197T197-S199 PolarHBondContact O-N 3.4Å; T197-S199 VanDerWaalsContact O-N 3.14Å
200E40.6Very low52.3Low199 Ų199122.9 Ų122.993%0.9366%0.657SS**  trans-172.182.4158.7-114.1172.9-149.900112.1
201E31.8Very low49.2Very low158 Ų158128.2 Ų128.274%0.73868%0.681SS**  trans-147.596.6158-168.9135.3-130.900113.8
202K34.8Very low46.1Very low177 Ų177136.1 Ų136.177%0.7772%0.715SS**  trans53.6116.6144.9-62.8165.5-168.6145.30120
203Q33.6Very low42.9Very low195 Ų195139.9 Ų139.991%0.91175%0.746SS**  trans-62.7140.9146-60.1-179.6-0.600111.1
204R29.6Very low40.2Very low250 Ų250147.4 Ų147.494%0.94378%0.78SS**  trans-173.2130.4134.9-177.1166.4-70.6-149.2-1.8112
205G25.2Very low37.6Very low71 Ų71150 Ų15073%0.73280%0.801SS**  trans96.4105.2152.300000117.3
206W25.5Very low34.5Very low247 Ų247154.2 Ų154.294%0.93682%0.82SS**  trans-89.8150.4154.4-135.7-33.7000108.7
207P33.4Very low32.1Very low121 Ų121155.3 Ų155.379%0.78682%0.818SS**  -134.6164.4126.936.3-26.6000113.1
208A27.7Very low31Very low105 Ų105156 Ų15687%0.86882%0.815SS**  trans-89.3153.8-168.900000114.7
209G27.4Very low30Very low79 Ų79160.7 Ų160.781%0.81481%0.814SS**  trans-151.9131.5171.900000111
210K30Very low29.6Very low196 Ų196163.4 Ų163.485%0.85282%0.816SS**  trans-85.9141.7-164.5-65.3174.3-180174.90114.4
211I27.1Very low29Very low143 Ų143163.6 Ų163.673%0.73382%0.817SS**  37.8123.3128.8-50.2165000118.6
212F24.2Very low28.9Very low203 Ų203159.2 Ų159.289%0.8981%0.814SS**  trans-171.3111.2130.2-121.5-115.1000107.4
213A25.6Very low28.9Very low78 Ų78155.4 Ų155.465%0.64581%0.81SS**  86.7124.976.500000114.4
214Q33.5Very low28.7Very low173 Ų173155.9 Ų155.981%0.80881%0.805SS**  trans-72.8162.1163.7-74.4-174.4-18.800110.6
215P34.9Very low28.7Very low123 Ų123148.8 Ų148.880%0.79979%0.794SS**  -141.9171.8111.138-25.6000115.8
216F24.1Very low28.9Very low188 Ų188152 Ų15283%0.82580%0.799SS**  trans-68.8155.8175.4-67.8-116.4000112.9
217R24.8Very low28.8Very low225 Ų225143.4 Ų143.485%0.84979%0.787SS**  157.1105.495.4-165.5168.7-166.1172.14.6115.7
218M28.6Very low28.5Very low136 Ų136147.6 Ų147.667%0.6779%0.793SS**  25.1130.1128.1-179.7-167-175.700120.6Q220M218-Q220 HydrophobicContact CE-CG 4.27Å
219K25.7Very low29.4Very low209 Ų209147.7 Ų147.791%0.90979%0.785SS**  trans-150.2156.9140-124.4177.7-177.5-176.80113
220Q32.7Very low29.3Very low156 Ų156149.9 Ų149.973%0.72978%0.782SS**  trans-133.1166.5-174.1-58.5168.1-47.800110.7M218M218-Q220 HydrophobicContact CE-CG 4.27Å
221Q29.2Very low29.2Very low202 Ų202146.1 Ų146.194%0.94478%0.776SS**  trans-169.3145.6145.2-106.4159.9-25.100109
222G30.5Very low29.3Very low67 Ų67148 Ų14869%0.69178%0.779SS**  cis143.3137.7-5.400000111.5
223S34.1Very low29.4Very low96 Ų96144.5 Ų144.567%0.67177%0.774SS**  cis-135.9-1420.6-33.70000109.5
224Y29.4Very low29.4Very low206 Ų206151.5 Ų151.581%0.80878%0.784SS**  cis-146.5151.212.6-72.4-87.6000108.3
225S29.7Very low29.1Very low101 Ų101152.6 Ų152.671%0.70679%0.786SS**  67.513177.4-135.30000115
226T28.5Very low28.8Very low139 Ų139152 Ų15285%0.85379%0.785SS**  cis-159.4154.211.9-29.10000112.1
227G23.6Very low29.1Very low65 Ų65150.8 Ų150.867%0.6778%0.782SS**  trans143.2129155.400000119.5
228F27.1Very low29.6Very low210 Ų210146 Ų14692%0.92178%0.78SS**  trans-162.2178.1171.6-91.7-62.2000107.2
229P46.4Very low29.5Very low106 Ų106145 Ų14569%0.68878%0.781SS**  cis-146.2-158.319.832.8-4.7000116.8
230V25.6Very low29.6Very low125 Ų125139.9 Ų139.976%0.75877%0.772SS**  trans65.8150.6163.8-97.20000119.6
231T27.3Very low29.2Very low118 Ų118137.6 Ų137.672%0.72477%0.773SS**  cis-132.5139.83.632.10000111.7
232K29.5Very low29.2Very low183 Ų183134.9 Ų134.980%0.79677%0.77SS**  43.1131.898.6-68.2-174.6178177.70115.6
233T27.1Very low28.9Very low128 Ų128140 Ų14079%0.78578%0.776SS**  cis-159.8-167.83.94.10000108.8
234R25Very low29.5Very low226 Ų226140.2 Ų140.285%0.85378%0.775SS**  cis-150.2-129.918.8-154.7-179.3-178.2168.50.7112.6
235F28Very low29.5Very low196 Ų196136.1 Ų136.186%0.8677%0.774SS**  trans-149.1175.7-175.7-79.9-96.2000107.5
236S27.2Very low29.5Very low110 Ų110140.8 Ų140.877%0.76978%0.781SS**  cis-158.316825.654.10000114.5
237Q30.4Very low30.1Very low163 Ų163139.8 Ų139.876%0.76278%0.777SS**  trans-80168.4168.3-147.31728.600111.7
238P36.9Very low30.2Very low125 Ų125143.6 Ų143.681%0.81279%0.787SS**  -147.9-160.4103.940.6-23.4000114.9
239T24.7Very low30.2Very low113 Ų113141 Ų14169%0.69378%0.782SS**  trans-127178.7-159.1510000115.8
240S28.4Very low29.2Very low103 Ų103144.2 Ų144.272%0.7279%0.794SS**  trans84.2105.7148.964.10000122.5
241S24.5Very low29.3Very low108 Ų108146 Ų14676%0.75580%0.795SS**  44.2129.412863.10000123.2
242V29.6Very low29.3Very low144 Ų144146.8 Ų146.887%0.87379%0.791SS**  177.5152.2112.6149.20000111.3
243E24.8Very low29.2Very low174 Ų174146 Ų14681%0.81379%0.788SS**  trans-96179.2177.8-109.6-166.9132.200112.5
244P44.9Very low29Very low102 Ų102147.9 Ų147.966%0.66279%0.79SS**  cis-124.7-163.6-2941.3-24000110.1
245P30.6Very low29.2Very low120 Ų120142 Ų14278%0.77978%0.781SS**  -152-179.674.840.1-18.5000116.7
246K29.9Very low29Very low198 Ų198138.9 Ų138.986%0.86178%0.778SS**  trans-121.4-179.4160.6-54.8178.2-179.6175.90107.9
247P40.1Very low28.9Very low119 Ų119143.1 Ų143.177%0.77378%0.783SS**  cis-128.1178.3-14.941.3-27.3000113.3
248V26.3Very low28.7Very low145 Ų145140.9 Ų140.988%0.87979%0.785SS**  trans-139.9141.7153.1-179.50000109.2
249L27.6Very low28.4Very low156 Ų156139 Ų13982%0.81778%0.78SS**  trans-102151.4175-77.4161.5000111
250N25Very low28.7Very low173 Ų173140.5 Ų140.593%0.92579%0.789SS**  trans-157.8162.4141.1-108.2-21.6000110.7
251M27.9Very low28.5Very low161 Ų161143.7 Ų143.779%0.79379%0.792SS**  trans-142.1158.8-158.1-169.2176.8126.300111.9
252E27.3Very low29.4Very low135 Ų135145.9 Ų145.963%0.63180%0.802SS**  trans71.3153.7177.8-49.4-160.7134.300115.4
253K26.7Very low29.6Very low168 Ų168143.1 Ų143.173%0.7379%0.788SS**  cis-148.41545.4-138.3149.5-166.9148.40110.8
254M23.5Very low30.6Very low167 Ų167146.4 Ų146.482%0.82379%0.793SS**PPolyproline II helixtrans-81151.7170.5-79.6-169.87100112.2
255P28.1Very low30.2Very low103 Ų103146.1 Ų146.167%0.66979%0.786SS**PPolyproline II helixtrans-83.5133.8146.733.8-28.3000110.4
256T24.3Very low31.2Very low129 Ų129145.2 Ų145.279%0.79177%0.774SS**PPolyproline II helixtrans-82.1147.4166.827.10000111
257F25.6Very low31.9Very low200 Ų200141.7 Ų141.788%0.87776%0.761SS**  trans-132.5143.3157.2-92.8-81.2000110.2
258S25.2Very low31.9Very low115 Ų115140.5 Ų140.580%0.80475%0.751SS**  trans-83161-17448.10000112.9
259A31.1Very low32.8Very low87 Ų87137.7 Ų137.772%0.71973%0.729SS**  trans-74.5174.3171.200000112.6
260V31.7Very low33.6Very low144 Ų144135.8 Ų135.887%0.87371%0.714SS**  trans77.679.7175.1-1650000115.4
261E24.8Very low34.4Very low169 Ų169132 Ų13279%0.7969%0.693SS**  trans-152.8112.7133-141.4179.9-140.300110.4S263E261-S263 PolarHBondContact O-N 3.27Å; E261-S263 VanDerWaalsContact O-N 3.12Å
262T42.1Very low35.2Very low155 Ų155127.8 Ų127.895%0.95167%0.674SS**  trans-87.461177.436.20000111.1
263S33.3Very low36.2Very low85 Ų85126.8 Ų126.859%0.59467%0.669SS**  trans-78.4161.1-179.1600000113E261 L265E261-S263 PolarHBondContact O-N 3.27Å; E261-S263 VanDerWaalsContact O-N 3.12Å; S263-L265 PolarHBondContact O-N 2.88Å
264R47Very low37Very low244 Ų244123.1 Ų123.192%0.92166%0.657SS**  trans-76.9102.4-168-67.5172.8173.9166.7-4.2112.3
265L35.1Very low38.1Very low95 Ų95119.5 Ų119.550%0.49764%0.638SS.*  trans-58.4134.6166.8-71.1170.7000111.7S263 E269S263-L265 PolarHBondContact O-N 2.88Å; L265-E269 HydrophobicContact CD2-CB 4.42Å
266N51.8Low39Very low101 Ų101119.1 Ų119.154%0.5463%0.63SS.*  trans-72.6154.4176.6-63.7-81.7000111.2T268 E269 K270N266-T268 PolarHBondContact O-N 2.83Å; N266-E269 HydrophobicContact CB-CG 4.37Å; N266-E269 VanDerWaalsContact CB-OE2 3.26Å; N266-E269 WeakPolarHBondContact CB-OE2 3.4Å; N266-E269 PolarHBondContact N-OE2 3.38Å; N266-E269 PolarHBondContact ND2-OE2 3.45Å; N266-E269 WeakPolarHBondContact O-CA 3.45Å; N266-E269 WeakPolarHBondContact O-CB 2.86Å; N266-E269 PolarHBondContact O-N 3.33Å; N266-K270 PolarHBondContact O-N 3.39Å
267H46.3Very low40.1Very low125 Ų125116.5 Ų116.558%0.57961%0.614SS**Hα-helixtrans-62.9-30.4-179.4-68.7-107000112.7E269 K270 L271H267-E269 VanDerWaalsContact C-N 3.3Å; H267-E269 PolarHBondContact O-N 3.46Å; H267-K270 PolarHBondContact O-N 3.05Å; H267-L271 WeakPolarHBondContact O-CB 3.45Å; H267-L271 WeakPolarHBondContact O-CG 3.34Å; H267-L271 PolarHBondContact O-N 3.01Å
268T38.5Very low41Very low93 Ų93113 Ų11357%0.57160%0.599SS**Hα-helixtrans-61.8-38.3171.3-33.50000111.8N266 L271 N272N266-T268 PolarHBondContact O-N 2.83Å; T268-L271 PolarHBondContact O-N 2.81Å; T268-N272 VanDerWaalsContact O-CB 3.27Å; T268-N272 WeakPolarHBondContact O-CB 3.5Å; T268-N272 PolarHBondContact O-N 3.15Å; T268-N272 PolarHBondContact O-ND2 2.82Å; T268-N272 PolarHBondContact O-OD1 3.48Å
269E45.6Very low42Very low87 Ų87112.6 Ų112.641%0.40758%0.583SS.*Hα-helixtrans-72.2-37.6178.5-63.2166.412900110.5L265 N266 H267 Q273L265-E269 HydrophobicContact CD2-CB 4.42Å; N266-E269 HydrophobicContact CB-CG 4.37Å; N266-E269 VanDerWaalsContact CB-OE2 3.26Å; N266-E269 WeakPolarHBondContact CB-OE2 3.4Å; N266-E269 PolarHBondContact N-OE2 3.38Å; N266-E269 PolarHBondContact ND2-OE2 3.45Å; N266-E269 WeakPolarHBondContact O-CA 3.45Å; N266-E269 WeakPolarHBondContact O-CB 2.86Å; N266-E269 PolarHBondContact O-N 3.33Å; H267-E269 VanDerWaalsContact C-N 3.3Å; H267-E269 PolarHBondContact O-N 3.46Å; E269-Q273 WeakPolarHBondContact O-CB 3.24Å; E269-Q273 PolarHBondContact O-N 2.81Å
270K43.9Very low42.6Very low116 Ų116111.3 Ų111.350%0.50457%0.568SS.*Hα-helixtrans-64.1-42.5171.5-67.4-174.2177.5-176.70112.8N266 H267 Q273 L274N266-K270 PolarHBondContact O-N 3.39Å; H267-K270 PolarHBondContact O-N 3.05Å; K270-Q273 PolarHBondContact O-N 3.01Å; K270-L274 WeakPolarHBondContact O-CB 3.09Å; K270-L274 PolarHBondContact O-N 2.89Å
271L42.5Very low43.4Very low92 Ų92108 Ų10848%0.48255%0.548SS..Hα-helixtrans-66-45.9175.6-76.8169.4000111.3H267 T268 Q273 L274 E275H267-L271 WeakPolarHBondContact O-CB 3.45Å; H267-L271 WeakPolarHBondContact O-CG 3.34Å; H267-L271 PolarHBondContact O-N 3.01Å; T268-L271 PolarHBondContact O-N 2.81Å; L271-Q273 VanDerWaalsContact C-N 3.29Å; L271-Q273 PolarHBondContact O-N 2.94Å; L271-L274 PolarHBondContact O-N 2.94Å; L271-E275 VanDerWaalsContact O-CB 3.3Å; L271-E275 WeakPolarHBondContact O-CB 3.38Å; L271-E275 PolarHBondContact O-N 2.85Å
272N45.7Very low44.4Very low74 Ų74103.3 Ų103.340%0.39653%0.528SS..Hα-helixtrans-63.2-35.7175-67.5-5.7000111.8T268 N276T268-N272 VanDerWaalsContact O-CB 3.27Å; T268-N272 WeakPolarHBondContact O-CB 3.5Å; T268-N272 PolarHBondContact O-N 3.15Å; T268-N272 PolarHBondContact O-ND2 2.82Å; T268-N272 PolarHBondContact O-OD1 3.48Å; N272-N276 WeakPolarHBondContact O-CB 3.4Å; N272-N276 PolarHBondContact O-N 3.42Å; N272-N276 PolarHBondContact O-ND2 2.71Å
273Q46.7Very low44.6Very low113 Ų11399.9 Ų99.953%0.52852%0.515SS..Hα-helixtrans-68-43176-173.5173.83000111E269 K270 L271 N276 T277E269-Q273 WeakPolarHBondContact O-CB 3.24Å; E269-Q273 PolarHBondContact O-N 2.81Å; K270-Q273 PolarHBondContact O-N 3.01Å; L271-Q273 VanDerWaalsContact C-N 3.29Å; L271-Q273 PolarHBondContact O-N 2.94Å; Q273-N276 PolarHBondContact O-N 2.75Å; Q273-T277 WeakPolarHBondContact O-CG2 3.47Å; Q273-T277 PolarHBondContact O-N 3.4Å; Q273-T277 PolarHBondContact O-OG1 2.8Å
274L45.3Very low45Very low92 Ų92102.5 Ų102.548%0.48252%0.518SS..Hα-helixtrans-64-44.6173.3-175.663.5000111.6K270 L271 N276 T277 F278K270-L274 WeakPolarHBondContact O-CB 3.09Å; K270-L274 PolarHBondContact O-N 2.89Å; L271-L274 PolarHBondContact O-N 2.94Å; L274-N276 VanDerWaalsContact C-N 3.32Å; L274-N276 PolarHBondContact O-N 3.24Å; L274-T277 WeakPolarHBondContact CA-OG1 3.16Å; L274-T277 PolarHBondContact O-N 2.79Å; L274-T277 PolarHBondContact O-OG1 2.61Å; L274-F278 HydrophobicContact CD1-CD2 4.07Å; L274-F278 HydrophobicContact CD1-CE2 4.05Å; L274-F278 HydrophobicContact CG-CD2 4.16Å; L274-F278 HydrophobicContact CG-CE2 4.34Å; L274-F278 WeakPolarHBondContact O-CB 3.47Å; L274-F278 WeakPolarHBondContact O-CD2 3.45Å; L274-F278 PolarHBondContact O-N 2.86Å
275E45.2Very low44.9Very low91 Ų9193.9 Ų93.943%0.42549%0.49SS..Hα-helixtrans-62.4-39.3176-169.5-172.3165.100111.5L271 F278 K279L271-E275 VanDerWaalsContact O-CB 3.3Å; L271-E275 WeakPolarHBondContact O-CB 3.38Å; L271-E275 PolarHBondContact O-N 2.85Å; E275-F278 PolarHBondContact O-N 2.99Å; E275-K279 VanDerWaalsContact CD-NZ 3.34Å; E275-K279 HydrophobicContact CG-CD 4.37Å; E275-K279 WeakPolarHBondContact O-CB 3.43Å; E275-K279 VanDerWaalsContact O-CG 3.28Å; E275-K279 WeakPolarHBondContact O-CG 3.39Å; E275-K279 PolarHBondContact O-N 3.29Å; E275-K279 WeakPolarHBondContact OE1-CE 3.46Å; E275-K279 IonicContact OE1-NZ 2.74Å; E275-K279 PolarHBondContact OE1-NZ 3.32Å
276N46.9Very low45.3Very low95 Ų9590.7 Ų90.751%0.50848%0.48SS..Hα-helixtrans-73.5-34.3176.6-73.2-28.6000112.8N272 Q273 L274 K279 S280N272-N276 WeakPolarHBondContact O-CB 3.4Å; N272-N276 PolarHBondContact O-N 3.42Å; N272-N276 PolarHBondContact O-ND2 2.71Å; Q273-N276 PolarHBondContact O-N 2.75Å; L274-N276 VanDerWaalsContact C-N 3.32Å; L274-N276 PolarHBondContact O-N 3.24Å; N276-K279 PolarHBondContact O-N 2.6Å; N276-S280 VanDerWaalsContact O-CB 3.3Å; N276-S280 WeakPolarHBondContact O-CB 3.36Å; N276-S280 PolarHBondContact O-N 3.48Å
277T47.8Very low44.6Very low73 Ų7390.8 Ų90.845%0.44849%0.486SS..Hα-helixtrans-67.8-40.7170.154.20000111Q273 L274 S280 V281Q273-T277 WeakPolarHBondContact O-CG2 3.47Å; Q273-T277 PolarHBondContact O-N 3.4Å; Q273-T277 PolarHBondContact O-OG1 2.8Å; L274-T277 WeakPolarHBondContact CA-OG1 3.16Å; L274-T277 PolarHBondContact O-N 2.79Å; L274-T277 PolarHBondContact O-OG1 2.61Å; T277-S280 PolarHBondContact O-N 2.97Å; T277-V281 WeakPolarHBondContact O-CB 3.5Å; T277-V281 VanDerWaalsContact O-CG2 3.27Å; T277-V281 WeakPolarHBondContact O-CG2 3.34Å; T277-V281 PolarHBondContact O-N 2.74Å
278F45Very low44.1Very low127 Ų12788.2 Ų88.256%0.55749%0.493SS*.Hα-helixtrans-57.7-49170.8-99.4-87.4000112L274 E275 S280 V281 I282L274-F278 HydrophobicContact CD1-CD2 4.07Å; L274-F278 HydrophobicContact CD1-CE2 4.05Å; L274-F278 HydrophobicContact CG-CD2 4.16Å; L274-F278 HydrophobicContact CG-CE2 4.34Å; L274-F278 WeakPolarHBondContact O-CB 3.47Å; L274-F278 WeakPolarHBondContact O-CD2 3.45Å; L274-F278 PolarHBondContact O-N 2.86Å; E275-F278 PolarHBondContact O-N 2.99Å; F278-S280 PolarHBondContact O-N 3.22Å; F278-V281 PolarHBondContact O-N 3.48Å; F278-I282 HydrophobicContact CD1-CD1 4.32Å; F278-I282 WeakPolarHBondContact O-CB 3.29Å; F278-I282 WeakPolarHBondContact O-CD1 3.44Å; F278-I282 WeakPolarHBondContact O-CG1 3.45Å; F278-I282 PolarHBondContact O-N 2.68Å
279K44.9Very low44.6Very low107 Ų10786.4 Ų86.447%0.46549%0.493SS..Hα-helixtrans-61.5-40.4176.3-74.6168.3-175.9168.50112.5E275 N276 A283E275-K279 VanDerWaalsContact CD-NZ 3.34Å; E275-K279 HydrophobicContact CG-CD 4.37Å; E275-K279 WeakPolarHBondContact O-CB 3.43Å; E275-K279 VanDerWaalsContact O-CG 3.28Å; E275-K279 WeakPolarHBondContact O-CG 3.39Å; E275-K279 PolarHBondContact O-N 3.29Å; E275-K279 WeakPolarHBondContact OE1-CE 3.46Å; E275-K279 IonicContact OE1-NZ 2.74Å; E275-K279 PolarHBondContact OE1-NZ 3.32Å; N276-K279 PolarHBondContact O-N 2.6Å; K279-A283 WeakPolarHBondContact O-CB 3.31Å; K279-A283 PolarHBondContact O-N 3.03Å
280S45.5Very low45Very low60 Ų6086.2 Ų86.242%0.4250%0.498SS..Hα-helixtrans-65.2-44.5176.5-170.60000111.9N276 T277 F278 A283 Q284N276-S280 VanDerWaalsContact O-CB 3.3Å; N276-S280 WeakPolarHBondContact O-CB 3.36Å; N276-S280 PolarHBondContact O-N 3.48Å; T277-S280 PolarHBondContact O-N 2.97Å; F278-S280 PolarHBondContact O-N 3.22Å; S280-A283 PolarHBondContact O-N 3.22Å; S280-Q284 WeakPolarHBondContact O-CB 3.42Å; S280-Q284 WeakPolarHBondContact O-CG 3.32Å; S280-Q284 PolarHBondContact O-N 3.38Å
281V47.8Very low46.1Very low73 Ų7381.7 Ų81.744%0.44248%0.479SS..Hα-helixtrans-66.4-43.6177.81690000110.9T277 F278 A283 Q284 I285T277-V281 WeakPolarHBondContact O-CB 3.5Å; T277-V281 VanDerWaalsContact O-CG2 3.27Å; T277-V281 WeakPolarHBondContact O-CG2 3.34Å; T277-V281 PolarHBondContact O-N 2.74Å; F278-V281 PolarHBondContact O-N 3.48Å; V281-A283 VanDerWaalsContact C-N 3.33Å; V281-A283 PolarHBondContact O-N 3.32Å; V281-Q284 PolarHBondContact O-N 2.91Å; V281-I285 HydrophobicContact CG1-CD1 3.62Å; V281-I285 HydrophobicContact CG1-CG1 4.41Å; V281-I285 WeakPolarHBondContact O-CB 3.46Å; V281-I285 WeakPolarHBondContact O-CG1 3.18Å; V281-I285 PolarHBondContact O-N 3.03Å
282I44.7Very low47.5Very low72 Ų7280.8 Ų80.837%0.36948%0.475SS..Hα-helixtrans-64.8-37.1175.5-68.7166.5000111.2F278 G286 A1015F278-I282 HydrophobicContact CD1-CD1 4.32Å; F278-I282 WeakPolarHBondContact O-CB 3.29Å; F278-I282 WeakPolarHBondContact O-CD1 3.44Å; F278-I282 WeakPolarHBondContact O-CG1 3.45Å; F278-I282 PolarHBondContact O-N 2.68Å; I282-G286 WeakPolarHBondContact O-CA 3.37Å; I282-G286 PolarHBondContact O-N 3.43Å; I282-A1015 HydrophobicContact CD1-CB 4.46Å; I282-A1015 HydrophobicContact CG2-CB 4.29Å
283A47.3Very low48.9Very low83 Ų8381 Ų8169%0.68648%0.48SS*.Hα-helixtrans-69.8-31.7175.300000113.3K279 S280 V281K279-A283 WeakPolarHBondContact O-CB 3.31Å; K279-A283 PolarHBondContact O-N 3.03Å; S280-A283 PolarHBondContact O-N 3.22Å; V281-A283 VanDerWaalsContact C-N 3.33Å; V281-A283 PolarHBondContact O-N 3.32Å
284Q42.3Very low50.4Low140 Ų14081 Ų8165%0.65448%0.484SS*.Hα-helixtrans-80.4-32.6176.4-75.9176.7-30.600113.6S280 V281S280-Q284 WeakPolarHBondContact O-CB 3.42Å; S280-Q284 WeakPolarHBondContact O-CG 3.32Å; S280-Q284 PolarHBondContact O-N 3.38Å; V281-Q284 PolarHBondContact O-N 2.91Å
285I44.1Very low52.2Low63 Ų6377.7 Ų77.732%0.32347%0.466SS..Hα-helixtrans-89.1-26.3-179.6-65.5176.4000111.9V281V281-I285 HydrophobicContact CG1-CD1 3.62Å; V281-I285 HydrophobicContact CG1-CG1 4.41Å; V281-I285 WeakPolarHBondContact O-CB 3.46Å; V281-I285 WeakPolarHBondContact O-CG1 3.18Å; V281-I285 PolarHBondContact O-N 3.03Å
286G43.2Very low54.1Low28 Ų2875.7 Ų75.729%0.28946%0.456SS..  trans69.8-177.2-178.900000114.2I282 G288I282-G286 WeakPolarHBondContact O-CA 3.37Å; I282-G286 PolarHBondContact O-N 3.43Å; G286-G288 PolarHBondContact O-N 3.21Å
287P36.8Very low55.8Low102 Ų10277.3 Ų77.366%0.66246%0.46SS*.SBendtrans-65.5128172.926.9-32000110.3G289 T290P287-G289 PolarHBondContact O-N 2.89Å; P287-T290 WeakPolarHBondContact O-CB 3.39Å; P287-T290 PolarHBondContact O-N 3.31Å; P287-T290 VanDerWaalsContact O-N 3.16Å; P287-T290 PolarHBondContact O-OG1 3.04Å
288G36.7Very low57.7Low71 Ų7176.4 Ų76.473%0.73245%0.45SS*.THydrogen-bonded Turntrans-46.9125.5-157.700000116.3G286G286-G288 PolarHBondContact O-N 3.21Å
289G48.3Very low59.7Low55 Ų5570.3 Ų70.357%0.56742%0.424SS*.THydrogen-bonded Turntrans95-10.3-179.400000114.6P287 I291P287-G289 PolarHBondContact O-N 2.89Å; G289-I291 PolarHBondContact O-N 2.8Å
290T53.7Low61.8Low84 Ų8467.1 Ų67.152%0.51541%0.41SS..  trans-84.890.7177.1-42.20000110.3P287 D292P287-T290 WeakPolarHBondContact O-CB 3.39Å; P287-T290 PolarHBondContact O-N 3.31Å; P287-T290 VanDerWaalsContact O-N 3.16Å; P287-T290 PolarHBondContact O-OG1 3.04Å; T290-D292 PolarHBondContact O-N 3.15Å
291I67Low63.8Low21 Ų2168.7 Ų68.711%0.10841%0.409CS..  trans-60.2131.9174.1-64.2163.4000109.3G289 L295 K296 F334 L340 A343 L344G289-I291 PolarHBondContact O-N 2.8Å; I291-L295 HydrophobicContact CG2-CD2 4.16Å; I291-L295 HydrophobicContact CG2-CG 4.3Å; I291-K296 HydrophobicContact CG2-CB 4.42Å; I291-F334 HydrophobicContact CD1-CE1 4.45Å; I291-F334 HydrophobicContact CD1-CE2 4.06Å; I291-F334 HydrophobicContact CD1-CZ 3.7Å; I291-F334 HydrophobicContact CG1-CE2 3.73Å; I291-F334 HydrophobicContact CG1-CZ 3.53Å; I291-L340 HydrophobicContact CD1-CD1 3.67Å; I291-L340 HydrophobicContact CG1-CD1 4.28Å; I291-A343 HydrophobicContact CD1-CB 3.9Å; I291-L344 HydrophobicContact CB-CD2 4.21Å; I291-L344 HydrophobicContact CD1-CD1 4.19Å; I291-L344 HydrophobicContact CD1-CD2 3.51Å; I291-L344 HydrophobicContact CD1-CG 3.54Å; I291-L344 HydrophobicContact CG1-CD2 4.45Å; I291-L344 HydrophobicContact CG2-CD2 4.25Å
292D73.3Confident65.8Low73 Ų7365.2 Ų65.239%0.3939%0.388SS..  trans-46.6132.6179.9168.168.3000112.3T290 D294 L295 K296T290-D292 PolarHBondContact O-N 3.15Å; D292-D294 VanDerWaalsContact C-N 3.32Å; D292-D294 PolarHBondContact O-N 3.28Å; D292-D294 WeakPolarHBondContact OD2-CA 3.45Å; D292-D294 WeakPolarHBondContact OD2-CB 3.42Å; D292-D294 PolarHBondContact OD2-N 2.99Å; D292-L295 HydrophobicContact CB-CB 4.05Å; D292-L295 PolarHBondContact O-N 3.04Å; D292-L295 PolarHBondContact OD2-N 3.25Å; D292-K296 VanDerWaalsContact O-CB 3.28Å; D292-K296 WeakPolarHBondContact O-CB 3.15Å; D292-K296 PolarHBondContact O-N 3.34Å
293P75.4Confident67.9Low79 Ų7961.8 Ų61.851%0.51337%0.371SS..Hα-helixtrans-57.4-37.1-177.8-28.436.5000114.6K296 H297P293-K296 WeakPolarHBondContact O-CB 3.35Å; P293-K296 PolarHBondContact O-N 3.02Å; P293-H297 PolarHBondContact O-N 3.39Å; P293-H297 PolarHBondContact O-ND1 3.41Å
294D77.1Confident69.7Low113 Ų11359.8 Ų59.860%0.60435%0.351SS*.Hα-helixtrans-74.4-43.6-178.2-72.5-12.4000110.4D292 K296 H297 K298D292-D294 VanDerWaalsContact C-N 3.32Å; D292-D294 PolarHBondContact O-N 3.28Å; D292-D294 WeakPolarHBondContact OD2-CA 3.45Å; D292-D294 WeakPolarHBondContact OD2-CB 3.42Å; D292-D294 PolarHBondContact OD2-N 2.99Å; D294-K296 VanDerWaalsContact C-N 3.28Å; D294-K296 PolarHBondContact O-N 3.19Å; D294-H297 PolarHBondContact O-N 3.35Å; D294-H297 VanDerWaalsContact O-N 3.15Å; D294-K298 WeakPolarHBondContact O-CG 3.39Å; D294-K298 PolarHBondContact O-N 2.68Å
295L82.7Confident71.8Confident21 Ų2158.3 Ų58.311%0.1134%0.343CS..Hα-helixtrans-57.7-40.8171.1179.558.3000112I291 D292 H297 K298 I299 F319 L327 L332I291-L295 HydrophobicContact CG2-CD2 4.16Å; I291-L295 HydrophobicContact CG2-CG 4.3Å; D292-L295 HydrophobicContact CB-CB 4.05Å; D292-L295 PolarHBondContact O-N 3.04Å; D292-L295 PolarHBondContact OD2-N 3.25Å; L295-H297 PolarHBondContact O-N 3.25Å; L295-K298 WeakPolarHBondContact O-CB 3.11Å; L295-K298 PolarHBondContact O-N 3.46Å; L295-I299 HydrophobicContact CD1-CD1 4.1Å; L295-I299 HydrophobicContact CD1-CG1 4.2Å; L295-I299 HydrophobicContact CG-CD1 4.02Å; L295-I299 WeakPolarHBondContact O-CG1 3.47Å; L295-I299 PolarHBondContact O-N 2.88Å; L295-F319 HydrophobicContact CD1-CE2 3.82Å; L295-F319 HydrophobicContact CD1-CZ 3.54Å; L295-L327 HydrophobicContact CD1-CD1 4.11Å; L295-L332 HydrophobicContact CD2-CD1 3.66Å; L295-L332 HydrophobicContact CD2-CD2 3.72Å; L295-L332 HydrophobicContact CD2-CG 4.37Å
296K84.9Confident73.8Confident49 Ų4958.2 Ų58.221%0.21334%0.34CS..Hα-helixtrans-60.6-42.1175-178.6170.5-172.8173.10112I291 D292 P293 D294 K300 L344 D346 I347I291-K296 HydrophobicContact CG2-CB 4.42Å; D292-K296 VanDerWaalsContact O-CB 3.28Å; D292-K296 WeakPolarHBondContact O-CB 3.15Å; D292-K296 PolarHBondContact O-N 3.34Å; P293-K296 WeakPolarHBondContact O-CB 3.35Å; P293-K296 PolarHBondContact O-N 3.02Å; D294-K296 VanDerWaalsContact C-N 3.28Å; D294-K296 PolarHBondContact O-N 3.19Å; K296-K300 WeakPolarHBondContact O-CB 3.32Å; K296-K300 PolarHBondContact O-N 2.93Å; K296-L344 HydrophobicContact CB-CD2 4.43Å; K296-L344 HydrophobicContact CD-CD2 4.13Å; K296-L344 HydrophobicContact CG-CD2 3.88Å; K296-D346 WeakPolarHBondContact CE-OD1 3.47Å; K296-D346 IonicContact NZ-OD1 2.6Å; K296-D346 PolarHBondContact NZ-OD1 3.47Å; K296-D346 IonicContact NZ-OD2 2.67Å; K296-D346 PolarHBondContact NZ-OD2 3.32Å; K296-I347 HydrophobicContact CG-CD1 3.64Å; K296-I347 HydrophobicContact CG-CG1 4.22Å
297H83.1Confident75.4Confident129 Ų12961.3 Ų61.360%0.59736%0.355SS*.Hα-helixtrans-66.9-39172.6-72.398.8000112.5P293 D294 L295 K300 F301P293-H297 PolarHBondContact O-N 3.39Å; P293-H297 PolarHBondContact O-ND1 3.41Å; D294-H297 PolarHBondContact O-N 3.35Å; D294-H297 VanDerWaalsContact O-N 3.15Å; L295-H297 PolarHBondContact O-N 3.25Å; H297-K300 PolarHBondContact O-N 2.86Å; H297-F301 WeakPolarHBondContact O-CB 3.49Å; H297-F301 PolarHBondContact O-N 3.08Å
298K88.6Confident77.2Confident54 Ų5464.3 Ų64.324%0.23536%0.36CS..Hα-helixtrans-59.7-50.3173.9-67-175.5-165.4-177.60111.4D294 L295 K300 F301 V302 F319 F323 E325D294-K298 WeakPolarHBondContact O-CG 3.39Å; D294-K298 PolarHBondContact O-N 2.68Å; L295-K298 WeakPolarHBondContact O-CB 3.11Å; L295-K298 PolarHBondContact O-N 3.46Å; K298-K300 PolarHBondContact O-N 2.79Å; K298-F301 WeakPolarHBondContact O-CB 3.47Å; K298-F301 PolarHBondContact O-N 3.46Å; K298-F301 VanDerWaalsContact O-N 3.14Å; K298-V302 WeakPolarHBondContact O-CG2 3.42Å; K298-V302 PolarHBondContact O-N 2.76Å; K298-F319 HydrophobicContact CB-CE2 3.59Å; K298-F319 HydrophobicContact CB-CZ 3.98Å; K298-F319 HydrophobicContact CD-CZ 4.03Å; K298-F323 HydrophobicContact CB-CD2 4.1Å; K298-F323 HydrophobicContact CB-CE1 4.24Å; K298-F323 HydrophobicContact CB-CE2 3.66Å; K298-F323 HydrophobicContact CB-CZ 3.74Å; K298-F323 HydrophobicContact CD-CD1 3.95Å; K298-F323 HydrophobicContact CD-CD2 4.47Å; K298-F323 HydrophobicContact CD-CE1 4.12Å; K298-F323 HydrophobicContact CD-CG 4.14Å; K298-F323 HydrophobicContact CD-CZ 4.46Å; K298-F323 HydrophobicContact CG-CD1 4.11Å; K298-F323 HydrophobicContact CG-CD2 4.44Å; K298-F323 HydrophobicContact CG-CE1 3.76Å; K298-F323 HydrophobicContact CG-CE2 4.12Å; K298-F323 HydrophobicContact CG-CG 4.45Å; K298-F323 HydrophobicContact CG-CZ 3.76Å; K298-F323 WeakPolarHBondContact O-CE2 3.25Å; K298-E325 IonicContact NZ-OE1 3.64Å; K298-E325 PolarHBondContact NZ-OE1 2.87Å; K298-E325 IonicContact NZ-OE2 2.66Å; K298-E325 PolarHBondContact NZ-OE2 3.48Å
299I87.4Confident79.2Confident0 Ų061.5 Ų61.50%033%0.331CS..Hα-helixtrans-62.2-42.6179.6-63.7169.9000110.8L295 F301 V302 V303 F319 L327 L344 L348L295-I299 HydrophobicContact CD1-CD1 4.1Å; L295-I299 HydrophobicContact CD1-CG1 4.2Å; L295-I299 HydrophobicContact CG-CD1 4.02Å; L295-I299 WeakPolarHBondContact O-CG1 3.47Å; L295-I299 PolarHBondContact O-N 2.88Å; I299-F301 VanDerWaalsContact C-N 3.33Å; I299-F301 PolarHBondContact O-N 3.36Å; I299-V302 PolarHBondContact O-N 2.92Å; I299-V303 PolarHBondContact O-N 3.29Å; I299-V303 VanDerWaalsContact O-N 3.15Å; I299-F319 HydrophobicContact CG1-CD2 3.9Å; I299-F319 HydrophobicContact CG1-CE2 3.67Å; I299-L327 HydrophobicContact CD1-CD1 4.33Å; I299-L327 HydrophobicContact CD1-CD2 4.08Å; I299-L327 HydrophobicContact CG1-CD2 4.12Å; I299-L344 HydrophobicContact CB-CD1 4.2Å; I299-L344 HydrophobicContact CD1-CD1 3.76Å; I299-L344 HydrophobicContact CG2-CD1 3.77Å; I299-L348 HydrophobicContact CG2-CD1 3.97Å
300K87.8Confident81Confident39 Ų3959.1 Ų59.117%0.1731%0.306CS..Hα-helixtrans-58.8-44.9173.6-165.5175.6-174.4173.70111.8K296 H297 K298 V302 V303 S304 I347 D363 D365K296-K300 WeakPolarHBondContact O-CB 3.32Å; K296-K300 PolarHBondContact O-N 2.93Å; H297-K300 PolarHBondContact O-N 2.86Å; K298-K300 PolarHBondContact O-N 2.79Å; K300-V302 PolarHBondContact O-N 3.29Å; K300-V303 PolarHBondContact O-N 3.31Å; K300-S304 WeakPolarHBondContact O-CB 3.47Å; K300-S304 PolarHBondContact O-N 2.81Å; K300-I347 HydrophobicContact CB-CD1 3.82Å; K300-I347 HydrophobicContact CD-CB 4.12Å; K300-I347 HydrophobicContact CD-CG2 4.24Å; K300-I347 HydrophobicContact CG-CD1 4.34Å; K300-D363 WeakPolarHBondContact CE-OD1 3.14Å; K300-D363 WeakPolarHBondContact CE-OD2 3.21Å; K300-D363 WeakPolarHBondContact CG-OD2 3.46Å; K300-D363 IonicContact NZ-OD1 2.62Å; K300-D365 IonicContact NZ-OD2 3.43Å; K300-D365 PolarHBondContact NZ-OD2 3.1Å
301F88.3Confident82.6Confident94 Ų9457 Ų5741%0.41229%0.289SS..Hα-helixtrans-60.6-42177.9-178.7-95.5000112.5H297 K298 I299 S304 K305 I322 F323H297-F301 WeakPolarHBondContact O-CB 3.49Å; H297-F301 PolarHBondContact O-N 3.08Å; K298-F301 WeakPolarHBondContact O-CB 3.47Å; K298-F301 PolarHBondContact O-N 3.46Å; K298-F301 VanDerWaalsContact O-N 3.14Å; I299-F301 VanDerWaalsContact C-N 3.33Å; I299-F301 PolarHBondContact O-N 3.36Å; F301-S304 PolarHBondContact O-N 3.41Å; F301-S304 PolarHBondContact O-OG 2.71Å; F301-K305 VanDerWaalsContact CE1-CE 3.44Å; F301-K305 VanDerWaalsContact CZ-NZ 3.28Å; F301-I322 HydrophobicContact CD1-CG2 4.06Å; F301-I322 HydrophobicContact CE1-CG2 3.86Å; F301-F323 HydrophobicContact CB-CZ 4.31Å; F301-F323 HydrophobicContact CD1-CE2 4.02Å; F301-F323 AromaticContact CD1-CZ 3.66Å; F301-F323 HydrophobicContact CD1-CZ 3.66Å; F301-F323 HydrophobicContact CE1-CZ 4.32Å; F301-F323 HydrophobicContact CG-CZ 4.29Å
302V89.2Confident83.4Confident0 Ų056.4 Ų56.40%029%0.286CS..Hα-helixtrans-55.6-56.1173.2176.70000110.2K298 I299 K300 S304 K305 F306 L310 L315 E318 F319 I322 F323K298-V302 WeakPolarHBondContact O-CG2 3.42Å; K298-V302 PolarHBondContact O-N 2.76Å; I299-V302 PolarHBondContact O-N 2.92Å; K300-V302 PolarHBondContact O-N 3.29Å; V302-S304 VanDerWaalsContact C-N 3.28Å; V302-S304 PolarHBondContact O-N 3.01Å; V302-K305 WeakPolarHBondContact O-CB 3.43Å; V302-K305 PolarHBondContact O-N 2.68Å; V302-K305 VanDerWaalsContact O-N 3.09Å; V302-F306 HydrophobicContact CG1-CE2 4.44Å; V302-F306 VanDerWaalsContact O-CD2 3.29Å; V302-F306 WeakPolarHBondContact O-CD2 3.26Å; V302-L310 HydrophobicContact CG1-CD2 3.72Å; V302-L315 HydrophobicContact CG1-CD1 4.14Å; V302-E318 HydrophobicContact CG1-CB 3.81Å; V302-F319 HydrophobicContact CG2-CB 4.04Å; V302-F319 HydrophobicContact CG2-CD2 3.75Å; V302-F319 HydrophobicContact CG2-CG 4.22Å; V302-I322 HydrophobicContact CB-CD1 4.4Å; V302-I322 HydrophobicContact CG1-CD1 4.18Å; V302-I322 HydrophobicContact CG2-CD1 4.19Å; V302-F323 HydrophobicContact CG2-CD2 4.11Å; V302-F323 HydrophobicContact CG2-CE2 3.82Å
303V88Confident83.8Confident0 Ų057.3 Ų57.30%030%0.298CS..Hα-helixtrans-63.2-35.2-176.5-179.70000111.6I299 K300 K305 F306 L310 L315 L348 V361 F362I299-V303 PolarHBondContact O-N 3.29Å; I299-V303 VanDerWaalsContact O-N 3.15Å; K300-V303 PolarHBondContact O-N 3.31Å; V303-K305 PolarHBondContact O-N 3.41Å; V303-K305 VanDerWaalsContact O-N 3.08Å; V303-F306 PolarHBondContact O-N 2.64Å; V303-L310 HydrophobicContact CG2-CD2 4.39Å; V303-L315 HydrophobicContact CG2-CD1 3.88Å; V303-L348 HydrophobicContact CB-CD2 3.95Å; V303-L348 HydrophobicContact CG1-CD2 4.1Å; V303-L348 HydrophobicContact CG2-CD2 3.81Å; V303-V361 HydrophobicContact CG1-CB 4.44Å; V303-V361 HydrophobicContact CG1-CG1 4.14Å; V303-V361 WeakPolarHBondContact CG1-O 3.3Å; V303-V361 HydrophobicContact CG2-CG1 4.12Å; V303-F362 VanDerWaalsContact CG1-C 3.41Å
304S85.3Confident84.3Confident40 Ų4059.1 Ų59.128%0.2830%0.298SS..Hα-helixtrans-59.9-19.8176.682.30000114.4K300 F301 V302 F306K300-S304 WeakPolarHBondContact O-CB 3.47Å; K300-S304 PolarHBondContact O-N 2.81Å; F301-S304 PolarHBondContact O-N 3.41Å; F301-S304 PolarHBondContact O-OG 2.71Å; V302-S304 VanDerWaalsContact C-N 3.28Å; V302-S304 PolarHBondContact O-N 3.01Å; S304-F306 VanDerWaalsContact C-N 3.27Å; S304-F306 PolarHBondContact O-N 2.87Å
305K86.6Confident84.7Confident110 Ų11053.8 Ų53.848%0.47827%0.269SS..THydrogen-bonded Turntrans-74.2-16.1174.4-58.5-53.4-178.9-173.60113.7F301 V302 V303 P307 I322F301-K305 VanDerWaalsContact CE1-CE 3.44Å; F301-K305 VanDerWaalsContact CZ-NZ 3.28Å; V302-K305 WeakPolarHBondContact O-CB 3.43Å; V302-K305 PolarHBondContact O-N 2.68Å; V302-K305 VanDerWaalsContact O-N 3.09Å; V303-K305 PolarHBondContact O-N 3.41Å; V303-K305 VanDerWaalsContact O-N 3.08Å; K305-P307 VanDerWaalsContact C-CD 3.47Å; K305-P307 WeakPolarHBondContact O-CD 3.38Å; K305-I322 HydrophobicContact CG-CD1 4.24Å
306F87.1Confident84.9Confident61 Ų6155.2 Ų55.227%0.26828%0.277SS..  trans-117.576.1-174.6-57.6-84.5000110.2V302 V303 S304 Q308 G309 L310 E318V302-F306 HydrophobicContact CG1-CE2 4.44Å; V302-F306 VanDerWaalsContact O-CD2 3.29Å; V302-F306 WeakPolarHBondContact O-CD2 3.26Å; V303-F306 PolarHBondContact O-N 2.64Å; S304-F306 VanDerWaalsContact C-N 3.27Å; S304-F306 PolarHBondContact O-N 2.87Å; F306-Q308 PolarHBondContact O-N 3Å; F306-Q308 VanDerWaalsContact O-N 3.08Å; F306-G309 WeakPolarHBondContact O-CA 3.31Å; F306-G309 PolarHBondContact O-N 3.01Å; F306-L310 HydrophobicContact CB-CB 3.92Å; F306-L310 HydrophobicContact CD1-CD1 4.44Å; F306-L310 HydrophobicContact CD2-CB 3.99Å; F306-L310 HydrophobicContact CD2-CD1 4.1Å; F306-L310 HydrophobicContact CD2-CD2 3.76Å; F306-L310 HydrophobicContact CD2-CG 4.17Å; F306-L310 HydrophobicContact CE1-CD1 4.5Å; F306-L310 HydrophobicContact CE2-CD1 4.17Å; F306-L310 HydrophobicContact CE2-CD2 3.93Å; F306-L310 HydrophobicContact CG-CB 4.02Å; F306-L310 HydrophobicContact CG-CD1 4.24Å; F306-L310 HydrophobicContact CZ-CD1 4.37Å; F306-E318 HydrophobicContact CE2-CB 4.19Å; F306-E318 HydrophobicContact CE2-CG 4.07Å; F306-E318 HydrophobicContact CZ-CB 4.31Å; F306-E318 HydrophobicContact CZ-CG 3.8Å
307P75.6Confident84.8Confident92 Ų9254.5 Ų54.560%0.59728%0.284SS*.THydrogen-bonded Turntrans-65.6-12.5-177.627.2-36.1000114.2K305K305-P307 VanDerWaalsContact C-CD 3.47Å; K305-P307 WeakPolarHBondContact O-CD 3.38Å
308Q74.6Confident85Confident166 Ų16650.6 Ų50.678%0.77627%0.266SS*.THydrogen-bonded Turntrans-93.38.1171.4-53.8-65.56.800113F306 F362F306-Q308 PolarHBondContact O-N 3Å; F306-Q308 VanDerWaalsContact O-N 3.08Å; Q308-F362 VanDerWaalsContact C-CE1 3.48Å
309G79.4Confident85.1Confident12 Ų1248.1 Ų48.112%0.12426%0.255CS..  trans91.2146.5-175.800000113.5F306 V361F306-G309 WeakPolarHBondContact O-CA 3.31Å; F306-G309 PolarHBondContact O-N 3.01Å; G309-V361 CarbonylContact C-O 3.37Å; G309-V361 WeakPolarHBondContact CA-O 3.4Å
310L86.9Confident85.2Confident5 Ų552.2 Ų52.23%0.02627%0.274CS..EExtended strand (participates in β ladder)trans-112.2126.2174.8175.857.2000110.2V302 V303 F306 K314 L315 E318 V361V302-L310 HydrophobicContact CG1-CD2 3.72Å; V303-L310 HydrophobicContact CG2-CD2 4.39Å; F306-L310 HydrophobicContact CB-CB 3.92Å; F306-L310 HydrophobicContact CD1-CD1 4.44Å; F306-L310 HydrophobicContact CD2-CB 3.99Å; F306-L310 HydrophobicContact CD2-CD1 4.1Å; F306-L310 HydrophobicContact CD2-CD2 3.76Å; F306-L310 HydrophobicContact CD2-CG 4.17Å; F306-L310 HydrophobicContact CE1-CD1 4.5Å; F306-L310 HydrophobicContact CE2-CD1 4.17Å; F306-L310 HydrophobicContact CE2-CD2 3.93Å; F306-L310 HydrophobicContact CG-CB 4.02Å; F306-L310 HydrophobicContact CG-CD1 4.24Å; F306-L310 HydrophobicContact CZ-CD1 4.37Å; L310-K314 HydrophobicContact CD1-CB 3.94Å; L310-L315 HydrophobicContact CD2-CD1 3.7Å; L310-E318 HydrophobicContact CD1-CG 3.81Å; L310-E318 HydrophobicContact CD2-CB 4.27Å; L310-E318 HydrophobicContact CD2-CG 4.32Å; L310-V361 PolarHBondContact N-O 2.8Å; L310-V361 WeakPolarHBondContact O-CB 3.33Å; L310-V361 PolarHBondContact O-N 3.15Å
311F85.8Confident85.2Confident40 Ų4056.5 Ų56.518%0.17530%0.298CS..EExtended strand (participates in β ladder)trans-63.4134.6177.3-74.3-74.5000112.3S313 K314 L315 K356 D358 L359 L360F311-S313 VanDerWaalsContact C-N 3.25Å; F311-S313 PolarHBondContact O-N 3Å; F311-K314 HydrophobicContact CB-CB 4.46Å; F311-K314 HydrophobicContact CB-CG 4.3Å; F311-K314 WeakPolarHBondContact O-CA 3.47Å; F311-K314 PolarHBondContact O-N 3.3Å; F311-L315 PolarHBondContact O-N 2.94Å; F311-K356 HydrophobicContact CE1-CB 4.37Å; F311-K356 HydrophobicContact CE1-CD 4.21Å; F311-K356 HydrophobicContact CE2-CD 4.41Å; F311-K356 HydrophobicContact CZ-CD 3.79Å; F311-D358 WeakPolarHBondContact CB-OD2 3.42Å; F311-D358 HydrophobicContact CD1-CB 3.88Å; F311-D358 HydrophobicContact CE1-CB 4.44Å; F311-L359 CarbonylContact C-O 3.56Å; F311-L359 WeakPolarHBondContact CA-O 3.45Å; F311-L360 HydrophobicContact CD1-CD2 3.8Å; F311-L360 HydrophobicContact CD1-CG 4.09Å; F311-L360 HydrophobicContact CD2-CD2 3.9Å; F311-L360 HydrophobicContact CE1-CD1 4.37Å; F311-L360 HydrophobicContact CE1-CD2 3.66Å; F311-L360 HydrophobicContact CE1-CG 3.76Å; F311-L360 HydrophobicContact CE2-CD2 3.75Å; F311-L360 HydrophobicContact CG-CD2 3.92Å; F311-L360 HydrophobicContact CZ-CD1 4.38Å; F311-L360 HydrophobicContact CZ-CD2 3.62Å; F311-L360 HydrophobicContact CZ-CG 4.07Å
312I83.6Confident85.1Confident8 Ų855 Ų554%0.04129%0.294CS..Hα-helixtrans-57.9-38.1179.8-73.9-167.9000111.5K314 L315 V337 T338 V341 V350 L359 V361I312-K314 PolarHBondContact O-N 3.13Å; I312-L315 PolarHBondContact O-N 2.94Å; I312-V337 HydrophobicContact CG2-CB 3.94Å; I312-V337 HydrophobicContact CG2-CG1 3.85Å; I312-T338 HydrophobicContact CD1-CG2 4.27Å; I312-V341 HydrophobicContact CD1-CB 4.17Å; I312-V341 HydrophobicContact CD1-CG1 4.07Å; I312-V341 HydrophobicContact CD1-CG2 4.27Å; I312-V341 HydrophobicContact CG1-CG2 4.48Å; I312-V350 HydrophobicContact CD1-CG1 4.45Å; I312-L359 HydrophobicContact CB-CB 4.3Å; I312-L359 HydrophobicContact CD1-CB 3.59Å; I312-L359 HydrophobicContact CD1-CD1 3.83Å; I312-L359 HydrophobicContact CD1-CG 4.36Å; I312-L359 HydrophobicContact CG1-CB 3.81Å; I312-L359 PolarHBondContact N-O 3.32Å; I312-V361 HydrophobicContact CD1-CG2 3.94Å; I312-V361 HydrophobicContact CG1-CG2 3.3Å
313S81.8Confident85Confident91 Ų9157.7 Ų57.764%0.63631%0.306SS*.Hα-helixtrans-57.4-27174.159.10000114.1F311 D358F311-S313 VanDerWaalsContact C-N 3.25Å; F311-S313 PolarHBondContact O-N 3Å; S313-D358 WeakPolarHBondContact CB-OD2 3.32Å; S313-D358 PolarHBondContact N-OD2 3.4Å; S313-D358 PolarHBondContact OG-OD2 3.31Å
314K86.6Confident84.8Confident117 Ų11766.9 Ų66.951%0.50935%0.346SS..Hα-helixtrans-96.7-16.9-179-64.7-164.9171.5-159.10114.4L310 F311 I312 L316 G317 E318L310-K314 HydrophobicContact CD1-CB 3.94Å; F311-K314 HydrophobicContact CB-CB 4.46Å; F311-K314 HydrophobicContact CB-CG 4.3Å; F311-K314 WeakPolarHBondContact O-CA 3.47Å; F311-K314 PolarHBondContact O-N 3.3Å; I312-K314 PolarHBondContact O-N 3.13Å; K314-L316 VanDerWaalsContact C-N 3.26Å; K314-L316 PolarHBondContact O-N 3.27Å; K314-L316 VanDerWaalsContact O-N 3.16Å; K314-G317 PolarHBondContact O-N 3.29Å; K314-E318 HydrophobicContact CB-CG 4.46Å; K314-E318 PolarHBondContact O-N 2.87Å
315L85.7Confident84.7Confident1 Ų169 Ų691%0.00535%0.351CS..Hα-helixtrans-54.3-39.2-172.8-18063000113.4V302 V303 L310 F311 I312 F319 V337 V341V302-L315 HydrophobicContact CG1-CD1 4.14Å; V303-L315 HydrophobicContact CG2-CD1 3.88Å; L310-L315 HydrophobicContact CD2-CD1 3.7Å; F311-L315 PolarHBondContact O-N 2.94Å; I312-L315 PolarHBondContact O-N 2.94Å; L315-F319 WeakPolarHBondContact O-CB 3.37Å; L315-F319 PolarHBondContact O-N 2.97Å; L315-F319 VanDerWaalsContact O-N 3.12Å; L315-V337 HydrophobicContact CB-CG1 4.45Å; L315-V337 HydrophobicContact CD2-CG1 4.08Å; L315-V341 HydrophobicContact CD2-CG2 3.34Å
316L86.6Confident84.3Confident51 Ų5170.3 Ų70.327%0.26736%0.359SS..Hα-helixtrans-67-43.6178.3-55.9-167.2000112.1K314 F319 E320 L327 P329 V337K314-L316 VanDerWaalsContact C-N 3.26Å; K314-L316 PolarHBondContact O-N 3.27Å; K314-L316 VanDerWaalsContact O-N 3.16Å; L316-F319 PolarHBondContact O-N 2.9Å; L316-E320 WeakPolarHBondContact O-CB 3.41Å; L316-E320 PolarHBondContact O-N 2.97Å; L316-L327 HydrophobicContact CD2-CB 4.13Å; L316-L327 HydrophobicContact CD2-CD2 3.85Å; L316-L327 HydrophobicContact CD2-CG 3.83Å; L316-L327 WeakPolarHBondContact CD2-O 3.41Å; L316-P329 HydrophobicContact CD2-CG 4.4Å; L316-V337 HydrophobicContact CD1-CG2 3.71Å; L316-V337 HydrophobicContact CD2-CG1 3.92Å; L316-V337 HydrophobicContact CD2-CG2 3.91Å; L316-V337 HydrophobicContact CG-CG1 4.36Å; L316-V337 HydrophobicContact CG-CG2 3.81Å
317G83.8Confident84Confident35 Ų3567.8 Ų67.836%0.36135%0.348SS..Hα-helixtrans-68.3-43.3-179.300000112.7K314 F319 E320 L321K314-G317 PolarHBondContact O-N 3.29Å; G317-F319 VanDerWaalsContact C-N 3.3Å; G317-F319 PolarHBondContact O-N 2.92Å; G317-E320 PolarHBondContact O-N 3.36Å; G317-L321 WeakPolarHBondContact O-CB 3.44Å; G317-L321 VanDerWaalsContact O-CG 3.24Å; G317-L321 WeakPolarHBondContact O-CG 3.47Å; G317-L321 PolarHBondContact O-N 2.9Å
318E86.8Confident84.1Confident47 Ų4764.6 Ų64.622%0.2233%0.328CS..Hα-helixtrans-66.4-32.7175.8-60.2-60.6162.800111.9V302 F306 L310 K314 I322V302-E318 HydrophobicContact CG1-CB 3.81Å; F306-E318 HydrophobicContact CE2-CB 4.19Å; F306-E318 HydrophobicContact CE2-CG 4.07Å; F306-E318 HydrophobicContact CZ-CB 4.31Å; F306-E318 HydrophobicContact CZ-CG 3.8Å; L310-E318 HydrophobicContact CD1-CG 3.81Å; L310-E318 HydrophobicContact CD2-CB 4.27Å; L310-E318 HydrophobicContact CD2-CG 4.32Å; K314-E318 HydrophobicContact CB-CG 4.46Å; K314-E318 PolarHBondContact O-N 2.87Å; E318-I322 WeakPolarHBondContact O-CB 3.41Å; E318-I322 WeakPolarHBondContact O-CD1 3.32Å; E318-I322 WeakPolarHBondContact O-CG1 3.39Å; E318-I322 PolarHBondContact O-N 3.13Å
319F90.1Very high84.1Confident2 Ų257.3 Ų57.31%0.00930%0.295CS..Hα-helixtrans-65.8-47.5172.6-173.4-76.9000111.7L295 K298 I299 V302 L315 L316 G317 L321 I322 F323 E325 L327L295-F319 HydrophobicContact CD1-CE2 3.82Å; L295-F319 HydrophobicContact CD1-CZ 3.54Å; K298-F319 HydrophobicContact CB-CE2 3.59Å; K298-F319 HydrophobicContact CB-CZ 3.98Å; K298-F319 HydrophobicContact CD-CZ 4.03Å; I299-F319 HydrophobicContact CG1-CD2 3.9Å; I299-F319 HydrophobicContact CG1-CE2 3.67Å; V302-F319 HydrophobicContact CG2-CB 4.04Å; V302-F319 HydrophobicContact CG2-CD2 3.75Å; V302-F319 HydrophobicContact CG2-CG 4.22Å; L315-F319 WeakPolarHBondContact O-CB 3.37Å; L315-F319 PolarHBondContact O-N 2.97Å; L315-F319 VanDerWaalsContact O-N 3.12Å; L316-F319 PolarHBondContact O-N 2.9Å; G317-F319 VanDerWaalsContact C-N 3.3Å; G317-F319 PolarHBondContact O-N 2.92Å; F319-L321 VanDerWaalsContact C-N 3.33Å; F319-L321 PolarHBondContact O-N 2.91Å; F319-I322 PolarHBondContact O-N 3Å; F319-F323 HydrophobicContact CD2-CD2 4.22Å; F319-F323 HydrophobicContact CE1-CB 4.31Å; F319-F323 HydrophobicContact CE2-CD2 4.14Å; F319-F323 HydrophobicContact CG-CD2 4.46Å; F319-F323 HydrophobicContact CZ-CD2 4.3Å; F319-F323 PolarHBondContact O-N 3.4Å; F319-E325 WeakPolarHBondContact CD1-O 3.44Å; F319-E325 HydrophobicContact CE1-CB 3.94Å; F319-L327 HydrophobicContact CB-CB 4.33Å; F319-L327 HydrophobicContact CB-CD2 4.21Å; F319-L327 HydrophobicContact CD1-CB 3.61Å; F319-L327 HydrophobicContact CD1-CD2 4.42Å; F319-L327 HydrophobicContact CD2-CD2 3.9Å; F319-L327 HydrophobicContact CE1-CB 3.99Å; F319-L327 HydrophobicContact CE2-CD2 4.37Å; F319-L327 HydrophobicContact CG-CB 3.93Å; F319-L327 HydrophobicContact CG-CD2 3.93Å
320E89.8Confident83.7Confident85 Ų8565 Ų6540%0.39733%0.325SS..Hα-helixtrans-64.4-36.7178.3-169.3165.4-153.200111.7L316 G317 K324 E325 Q326L316-E320 WeakPolarHBondContact O-CB 3.41Å; L316-E320 PolarHBondContact O-N 2.97Å; G317-E320 PolarHBondContact O-N 3.36Å; E320-K324 WeakPolarHBondContact O-CA 3.37Å; E320-K324 PolarHBondContact O-N 3.33Å; E320-E325 WeakPolarHBondContact CA-O 3.44Å; E320-Q326 PolarHBondContact OE1-NE2 3.12Å; E320-Q326 VanDerWaalsContact OE1-NE2 3.1Å
321L87.8Confident82.8Confident129 Ų12971.8 Ų71.868%0.67536%0.356SS*.Hα-helixtrans-66.4-40.6173.6-73.9169.7000113.3G317 F319G317-L321 WeakPolarHBondContact O-CB 3.44Å; G317-L321 VanDerWaalsContact O-CG 3.24Å; G317-L321 WeakPolarHBondContact O-CG 3.47Å; G317-L321 PolarHBondContact O-N 2.9Å; F319-L321 VanDerWaalsContact C-N 3.33Å; F319-L321 PolarHBondContact O-N 2.91Å
322I87.1Confident81.8Confident63 Ų6372.1 Ų72.132%0.32336%0.36SS..Hα-helixtrans-80.4-41-175.7-70.1170000112F301 V302 K305 E318 F319F301-I322 HydrophobicContact CD1-CG2 4.06Å; F301-I322 HydrophobicContact CE1-CG2 3.86Å; V302-I322 HydrophobicContact CB-CD1 4.4Å; V302-I322 HydrophobicContact CG1-CD1 4.18Å; V302-I322 HydrophobicContact CG2-CD1 4.19Å; K305-I322 HydrophobicContact CG-CD1 4.24Å; E318-I322 WeakPolarHBondContact O-CB 3.41Å; E318-I322 WeakPolarHBondContact O-CD1 3.32Å; E318-I322 WeakPolarHBondContact O-CG1 3.39Å; E318-I322 PolarHBondContact O-N 3.13Å; F319-I322 PolarHBondContact O-N 3Å
323F85.6Confident80.7Confident57 Ų5774.6 Ų74.625%0.2539%0.387CS..Hα-helixtrans-106.1-12.7-174-71.3-74.4000114.8K298 F301 V302 F319 E325K298-F323 HydrophobicContact CB-CD2 4.1Å; K298-F323 HydrophobicContact CB-CE1 4.24Å; K298-F323 HydrophobicContact CB-CE2 3.66Å; K298-F323 HydrophobicContact CB-CZ 3.74Å; K298-F323 HydrophobicContact CD-CD1 3.95Å; K298-F323 HydrophobicContact CD-CD2 4.47Å; K298-F323 HydrophobicContact CD-CE1 4.12Å; K298-F323 HydrophobicContact CD-CG 4.14Å; K298-F323 HydrophobicContact CD-CZ 4.46Å; K298-F323 HydrophobicContact CG-CD1 4.11Å; K298-F323 HydrophobicContact CG-CD2 4.44Å; K298-F323 HydrophobicContact CG-CE1 3.76Å; K298-F323 HydrophobicContact CG-CE2 4.12Å; K298-F323 HydrophobicContact CG-CG 4.45Å; K298-F323 HydrophobicContact CG-CZ 3.76Å; K298-F323 WeakPolarHBondContact O-CE2 3.25Å; F301-F323 HydrophobicContact CB-CZ 4.31Å; F301-F323 HydrophobicContact CD1-CE2 4.02Å; F301-F323 AromaticContact CD1-CZ 3.66Å; F301-F323 HydrophobicContact CD1-CZ 3.66Å; F301-F323 HydrophobicContact CE1-CZ 4.32Å; F301-F323 HydrophobicContact CG-CZ 4.29Å; V302-F323 HydrophobicContact CG2-CD2 4.11Å; V302-F323 HydrophobicContact CG2-CE2 3.82Å; F319-F323 HydrophobicContact CD2-CD2 4.22Å; F319-F323 HydrophobicContact CE1-CB 4.31Å; F319-F323 HydrophobicContact CE2-CD2 4.14Å; F319-F323 HydrophobicContact CG-CD2 4.46Å; F319-F323 HydrophobicContact CZ-CD2 4.3Å; F319-F323 PolarHBondContact O-N 3.4Å; F323-E325 HydrophobicContact CB-CB 4.31Å; F323-E325 HydrophobicContact CB-CG 4.46Å; F323-E325 PolarHBondContact O-N 3.32Å
324K84.1Confident80Confident193 Ų19371.4 Ų71.484%0.83936%0.362SS*.SBendtrans57.528.8-171.6-55.3-173.4178.6-175.30113.5E320E320-K324 WeakPolarHBondContact O-CA 3.37Å; E320-K324 PolarHBondContact O-N 3.33Å
325E83.1Confident78.8Confident83 Ų8371.4 Ų71.439%0.38837%0.367SS..  trans-122.3131.7178.5-72170.5-14700108.5K298 F319 E320 F323 L327K298-E325 IonicContact NZ-OE1 3.64Å; K298-E325 PolarHBondContact NZ-OE1 2.87Å; K298-E325 IonicContact NZ-OE2 2.66Å; K298-E325 PolarHBondContact NZ-OE2 3.48Å; F319-E325 WeakPolarHBondContact CD1-O 3.44Å; F319-E325 HydrophobicContact CE1-CB 3.94Å; E320-E325 WeakPolarHBondContact CA-O 3.44Å; F323-E325 HydrophobicContact CB-CB 4.31Å; F323-E325 HydrophobicContact CB-CG 4.46Å; F323-E325 PolarHBondContact O-N 3.32Å; E325-L327 PolarHBondContact O-N 3.49Å
326Q78.2Confident78.2Confident138 Ų13875.2 Ų75.265%0.64539%0.388SS*.  trans-81.9111-179.7-174.8167.699.100111.3E320 S328E320-Q326 PolarHBondContact OE1-NE2 3.12Å; E320-Q326 VanDerWaalsContact OE1-NE2 3.1Å; Q326-S328 PolarHBondContact O-N 3.5Å
327L80.8Confident77.8Confident8 Ų874 Ų744%0.04238%0.382CS..  trans-77.8100.5175.5-178.758.2000110.7L295 I299 L316 F319 E325 L332 L340L295-L327 HydrophobicContact CD1-CD1 4.11Å; I299-L327 HydrophobicContact CD1-CD1 4.33Å; I299-L327 HydrophobicContact CD1-CD2 4.08Å; I299-L327 HydrophobicContact CG1-CD2 4.12Å; L316-L327 HydrophobicContact CD2-CB 4.13Å; L316-L327 HydrophobicContact CD2-CD2 3.85Å; L316-L327 HydrophobicContact CD2-CG 3.83Å; L316-L327 WeakPolarHBondContact CD2-O 3.41Å; F319-L327 HydrophobicContact CB-CB 4.33Å; F319-L327 HydrophobicContact CB-CD2 4.21Å; F319-L327 HydrophobicContact CD1-CB 3.61Å; F319-L327 HydrophobicContact CD1-CD2 4.42Å; F319-L327 HydrophobicContact CD2-CD2 3.9Å; F319-L327 HydrophobicContact CE1-CB 3.99Å; F319-L327 HydrophobicContact CE2-CD2 4.37Å; F319-L327 HydrophobicContact CG-CB 3.93Å; F319-L327 HydrophobicContact CG-CD2 3.93Å; E325-L327 PolarHBondContact O-N 3.49Å; L327-L332 HydrophobicContact CD1-CD1 3.6Å; L327-L340 HydrophobicContact CD1-CD2 4.16Å; L327-L340 HydrophobicContact CD2-CD2 4.15Å; L327-L340 HydrophobicContact CG-CD2 4.22Å
328S79.1Confident77.5Confident25 Ų2575.5 Ų75.518%0.17538%0.384CS..  trans-106.4112.8174.9114.70000111.2Q326 K330 Q331Q326-S328 PolarHBondContact O-N 3.5Å; S328-K330 PolarHBondContact O-N 2.9Å; S328-Q331 PolarHBondContact O-N 3.03Å; S328-Q331 WeakPolarHBondContact OG-CB 3.32Å; S328-Q331 VanDerWaalsContact OG-CG 3.29Å; S328-Q331 WeakPolarHBondContact OG-CG 3.49Å; S328-Q331 PolarHBondContact OG-N 3.21Å; S328-Q331 PolarHBondContact OG-OE1 2.92Å
329P73.7Confident77Confident13 Ų1377.3 Ų77.38%0.08439%0.393CS..THydrogen-bonded Turntrans-58.5-34.1178.7-25.232.8000112.9L316 L332 G333 F334 V337 L340L316-P329 HydrophobicContact CD2-CG 4.4Å; P329-L332 CarbonylContact O-C 3.58Å; P329-L332 PolarHBondContact O-N 3.41Å; P329-G333 PolarHBondContact O-N 3.47Å; P329-F334 CarbonylContact C-O 3.58Å; P329-F334 VanDerWaalsContact C-O 3.27Å; P329-F334 HydrophobicContact CB-CB 3.99Å; P329-F334 PolarHBondContact O-N 3.14Å; P329-V337 HydrophobicContact CG-CB 4.47Å; P329-V337 HydrophobicContact CG-CG2 3.97Å; P329-L340 HydrophobicContact CB-CB 4.45Å; P329-L340 HydrophobicContact CB-CD2 4.43Å; P329-L340 HydrophobicContact CG-CD2 4.16Å
330K70.6Confident76.5Confident175 Ų17577.3 Ų77.376%0.76139%0.393SS*.THydrogen-bonded Turntrans-65.1-41.1-176.6-66.8-177.9-179.8177.50113.2S328 L332 G333 F334S328-K330 PolarHBondContact O-N 2.9Å; K330-L332 VanDerWaalsContact C-N 3.25Å; K330-L332 PolarHBondContact O-N 2.93Å; K330-G333 PolarHBondContact O-N 3.5Å; K330-F334 WeakPolarHBondContact CA-O 3.39Å; K330-F334 PolarHBondContact N-O 3.21Å
331Q67.9Low76.1Confident146 Ų14673.3 Ų73.368%0.68237%0.374SS*.THydrogen-bonded Turntrans-70.6-25.6176.3-71.9162.2-3000112S328 G333S328-Q331 PolarHBondContact O-N 3.03Å; S328-Q331 WeakPolarHBondContact OG-CB 3.32Å; S328-Q331 VanDerWaalsContact OG-CG 3.29Å; S328-Q331 WeakPolarHBondContact OG-CG 3.49Å; S328-Q331 PolarHBondContact OG-N 3.21Å; S328-Q331 PolarHBondContact OG-OE1 2.92Å; Q331-G333 VanDerWaalsContact C-N 3.29Å
332L65.9Low75.5Confident47 Ų4769.3 Ų69.325%0.24636%0.364CS..THydrogen-bonded Turntrans-84.52.4174.7-62168.7000113.4L295 L327 P329 K330 F334 L340L295-L332 HydrophobicContact CD2-CD1 3.66Å; L295-L332 HydrophobicContact CD2-CD2 3.72Å; L295-L332 HydrophobicContact CD2-CG 4.37Å; L327-L332 HydrophobicContact CD1-CD1 3.6Å; P329-L332 CarbonylContact O-C 3.58Å; P329-L332 PolarHBondContact O-N 3.41Å; K330-L332 VanDerWaalsContact C-N 3.25Å; K330-L332 PolarHBondContact O-N 2.93Å; L332-F334 HydrophobicContact CB-CD2 3.8Å; L332-F334 HydrophobicContact CB-CE2 4.11Å; L332-F334 VanDerWaalsContact O-CD2 3.29Å; L332-F334 WeakPolarHBondContact O-CD2 3.28Å; L332-F334 VanDerWaalsContact O-CE2 3.26Å; L332-F334 WeakPolarHBondContact O-CE2 3.49Å; L332-L340 HydrophobicContact CD1-CD1 4.3Å
333G59.6Low74.8Confident60 Ų6068.4 Ų68.462%0.61937%0.366SS*.THydrogen-bonded Turntrans87.17.7178.300000116.2P329 K330 Q331P329-G333 PolarHBondContact O-N 3.47Å; K330-G333 PolarHBondContact O-N 3.5Å; Q331-G333 VanDerWaalsContact C-N 3.29Å
334F66.8Low74.5Confident25 Ų2565.8 Ų65.811%0.1136%0.355CS..  trans-101.5141.2-179.8-59.9-85.5000112.1I291 P329 K330 L332 N336 E339 L340 A343I291-F334 HydrophobicContact CD1-CE1 4.45Å; I291-F334 HydrophobicContact CD1-CE2 4.06Å; I291-F334 HydrophobicContact CD1-CZ 3.7Å; I291-F334 HydrophobicContact CG1-CE2 3.73Å; I291-F334 HydrophobicContact CG1-CZ 3.53Å; P329-F334 CarbonylContact C-O 3.58Å; P329-F334 VanDerWaalsContact C-O 3.27Å; P329-F334 HydrophobicContact CB-CB 3.99Å; P329-F334 PolarHBondContact O-N 3.14Å; K330-F334 WeakPolarHBondContact CA-O 3.39Å; K330-F334 PolarHBondContact N-O 3.21Å; L332-F334 HydrophobicContact CB-CD2 3.8Å; L332-F334 HydrophobicContact CB-CE2 4.11Å; L332-F334 VanDerWaalsContact O-CD2 3.29Å; L332-F334 WeakPolarHBondContact O-CD2 3.28Å; L332-F334 VanDerWaalsContact O-CE2 3.26Å; L332-F334 WeakPolarHBondContact O-CE2 3.49Å; F334-N336 PolarHBondContact O-N 3.33Å; F334-E339 HydrophobicContact CD1-CG 4.17Å; F334-L340 HydrophobicContact CB-CB 4.21Å; F334-L340 HydrophobicContact CD1-CB 4.48Å; F334-L340 HydrophobicContact CD2-CB 4.36Å; F334-L340 HydrophobicContact CD2-CD1 3.53Å; F334-L340 HydrophobicContact CE2-CD1 3.63Å; F334-L340 HydrophobicContact CG-CB 4.08Å; F334-L340 HydrophobicContact CG-CD1 4.1Å; F334-L340 HydrophobicContact CZ-CD1 4.27Å; F334-A343 HydrophobicContact CD1-CB 4.47Å; F334-A343 HydrophobicContact CE1-CB 3.56Å; F334-A343 HydrophobicContact CZ-CB 4.07Å
335L62.1Low74.1Confident116 Ų11661 Ų6161%0.60735%0.346SS*.SBendtrans-71.7-29.7-175.6-61.1172.2000112.9E339L335-E339 VanDerWaalsContact CB-OE2 3.22Å; L335-E339 WeakPolarHBondContact CB-OE2 3.43Å; L335-E339 VanDerWaalsContact CG-OE2 3.31Å; L335-E339 WeakPolarHBondContact CG-OE2 3.38Å; L335-E339 PolarHBondContact N-OE2 2.65Å
336N72.3Confident73.7Confident82 Ų8262.1 Ų62.144%0.43935%0.354SS..SBendtrans-159.3175.7176.762.440.4000111.9F334 T338 E339 L340F334-N336 PolarHBondContact O-N 3.33Å; N336-T338 VanDerWaalsContact C-N 3.31Å; N336-T338 PolarHBondContact O-N 2.78Å; N336-T338 WeakPolarHBondContact OD1-CA 3.24Å; N336-T338 WeakPolarHBondContact OD1-CB 3.33Å; N336-T338 PolarHBondContact OD1-N 3Å; N336-T338 VanDerWaalsContact OD1-N 3.08Å; N336-E339 PolarHBondContact O-N 3.21Å; N336-E339 PolarHBondContact OD1-N 3.06Å; N336-L340 PolarHBondContact O-N 3.38Å
337V78.6Confident73.9Confident26 Ų2656.4 Ų56.416%0.15833%0.328CS..Hα-helixtrans-62.6-36.7179.5-1650000111.9I312 L315 L316 P329 E339 L340 V341I312-V337 HydrophobicContact CG2-CB 3.94Å; I312-V337 HydrophobicContact CG2-CG1 3.85Å; L315-V337 HydrophobicContact CB-CG1 4.45Å; L315-V337 HydrophobicContact CD2-CG1 4.08Å; L316-V337 HydrophobicContact CD1-CG2 3.71Å; L316-V337 HydrophobicContact CD2-CG1 3.92Å; L316-V337 HydrophobicContact CD2-CG2 3.91Å; L316-V337 HydrophobicContact CG-CG1 4.36Å; L316-V337 HydrophobicContact CG-CG2 3.81Å; P329-V337 HydrophobicContact CG-CB 4.47Å; P329-V337 HydrophobicContact CG-CG2 3.97Å; V337-E339 VanDerWaalsContact C-N 3.32Å; V337-E339 PolarHBondContact O-N 3.03Å; V337-L340 WeakPolarHBondContact O-CB 3.29Å; V337-L340 PolarHBondContact O-N 3.44Å; V337-V341 HydrophobicContact CG1-CG2 4.37Å; V337-V341 WeakPolarHBondContact O-CG2 3.47Å; V337-V341 PolarHBondContact O-N 2.8Å
338T78.8Confident74Confident66 Ų6656.3 Ų56.341%0.40533%0.327SS..Hα-helixtrans-65-35.3-179.5-41.70000112.2I312 N336 G342 L359I312-T338 HydrophobicContact CD1-CG2 4.27Å; N336-T338 VanDerWaalsContact C-N 3.31Å; N336-T338 PolarHBondContact O-N 2.78Å; N336-T338 WeakPolarHBondContact OD1-CA 3.24Å; N336-T338 WeakPolarHBondContact OD1-CB 3.33Å; N336-T338 PolarHBondContact OD1-N 3Å; N336-T338 VanDerWaalsContact OD1-N 3.08Å; T338-G342 PolarHBondContact O-N 2.91Å; T338-L359 HydrophobicContact CG2-CD1 3.69Å
339E75.5Confident74Confident85 Ų8560.2 Ų60.240%0.39734%0.338SS..Hα-helixtrans-72.9-40174.7-164.5177.5-139.300111.7F334 L335 N336 V337 G342 A343F334-E339 HydrophobicContact CD1-CG 4.17Å; L335-E339 VanDerWaalsContact CB-OE2 3.22Å; L335-E339 WeakPolarHBondContact CB-OE2 3.43Å; L335-E339 VanDerWaalsContact CG-OE2 3.31Å; L335-E339 WeakPolarHBondContact CG-OE2 3.38Å; L335-E339 PolarHBondContact N-OE2 2.65Å; N336-E339 PolarHBondContact O-N 3.21Å; N336-E339 PolarHBondContact OD1-N 3.06Å; V337-E339 VanDerWaalsContact C-N 3.32Å; V337-E339 PolarHBondContact O-N 3.03Å; E339-G342 PolarHBondContact O-N 3.06Å; E339-A343 PolarHBondContact O-N 3.47Å
340L79.3Confident74.5Confident1 Ų162.7 Ų62.71%0.00535%0.353CS..Hα-helixtrans-59.4-46.9172.3177.270.6000111.6I291 L327 P329 L332 F334 N336 V337 A343 L344I291-L340 HydrophobicContact CD1-CD1 3.67Å; I291-L340 HydrophobicContact CG1-CD1 4.28Å; L327-L340 HydrophobicContact CD1-CD2 4.16Å; L327-L340 HydrophobicContact CD2-CD2 4.15Å; L327-L340 HydrophobicContact CG-CD2 4.22Å; P329-L340 HydrophobicContact CB-CB 4.45Å; P329-L340 HydrophobicContact CB-CD2 4.43Å; P329-L340 HydrophobicContact CG-CD2 4.16Å; L332-L340 HydrophobicContact CD1-CD1 4.3Å; F334-L340 HydrophobicContact CB-CB 4.21Å; F334-L340 HydrophobicContact CD1-CB 4.48Å; F334-L340 HydrophobicContact CD2-CB 4.36Å; F334-L340 HydrophobicContact CD2-CD1 3.53Å; F334-L340 HydrophobicContact CE2-CD1 3.63Å; F334-L340 HydrophobicContact CG-CB 4.08Å; F334-L340 HydrophobicContact CG-CD1 4.1Å; F334-L340 HydrophobicContact CZ-CD1 4.27Å; N336-L340 PolarHBondContact O-N 3.38Å; V337-L340 WeakPolarHBondContact O-CB 3.29Å; V337-L340 PolarHBondContact O-N 3.44Å; L340-A343 PolarHBondContact O-N 3.05Å; L340-L344 WeakPolarHBondContact O-CG 3.46Å; L340-L344 PolarHBondContact O-N 3.15Å
341V80.6Confident74.9Confident2 Ų258.1 Ų58.11%0.01233%0.334CS..Hα-helixtrans-66.7-37.6175.2173.60000111.2I312 L315 V337 A343 L344 L348 V350 V361I312-V341 HydrophobicContact CD1-CB 4.17Å; I312-V341 HydrophobicContact CD1-CG1 4.07Å; I312-V341 HydrophobicContact CD1-CG2 4.27Å; I312-V341 HydrophobicContact CG1-CG2 4.48Å; L315-V341 HydrophobicContact CD2-CG2 3.34Å; V337-V341 HydrophobicContact CG1-CG2 4.37Å; V337-V341 WeakPolarHBondContact O-CG2 3.47Å; V337-V341 PolarHBondContact O-N 2.8Å; V341-A343 VanDerWaalsContact C-N 3.31Å; V341-A343 PolarHBondContact O-N 3.3Å; V341-L344 CarbonylContact O-C 3.47Å; V341-L344 WeakPolarHBondContact O-CA 3.2Å; V341-L344 PolarHBondContact O-N 3.2Å; V341-L348 HydrophobicContact CG1-CD1 4.24Å; V341-V350 HydrophobicContact CG1-CG2 3.61Å; V341-V361 HydrophobicContact CG1-CG1 4.05Å; V341-V361 HydrophobicContact CG1-CG2 3.97Å
342G75.1Confident75.2Confident45 Ų4556.9 Ų56.946%0.46433%0.327SS..Hα-helixtrans-63.5-33.2175.400000113.7T338 E339 L344 S345T338-G342 PolarHBondContact O-N 2.91Å; E339-G342 PolarHBondContact O-N 3.06Å; G342-L344 VanDerWaalsContact C-N 3.28Å; G342-S345 WeakPolarHBondContact O-CB 3.19Å
343A73.7Confident75.3Confident44 Ų4455.4 Ų55.436%0.36432%0.321SS..Hα-helixtrans-74-17172.400000113.4I291 F334 E339 L340 V341I291-A343 HydrophobicContact CD1-CB 3.9Å; F334-A343 HydrophobicContact CD1-CB 4.47Å; F334-A343 HydrophobicContact CE1-CB 3.56Å; F334-A343 HydrophobicContact CZ-CB 4.07Å; E339-A343 PolarHBondContact O-N 3.47Å; L340-A343 PolarHBondContact O-N 3.05Å; V341-A343 VanDerWaalsContact C-N 3.31Å; V341-A343 PolarHBondContact O-N 3.3Å
344L79.6Confident75Confident2 Ų259.4 Ų59.41%0.0132%0.323CS..THydrogen-bonded Turntrans-95.621175.5-67.5176.8000113.2I291 K296 I299 L340 V341 G342 D346 I347 L348I291-L344 HydrophobicContact CB-CD2 4.21Å; I291-L344 HydrophobicContact CD1-CD1 4.19Å; I291-L344 HydrophobicContact CD1-CD2 3.51Å; I291-L344 HydrophobicContact CD1-CG 3.54Å; I291-L344 HydrophobicContact CG1-CD2 4.45Å; I291-L344 HydrophobicContact CG2-CD2 4.25Å; K296-L344 HydrophobicContact CB-CD2 4.43Å; K296-L344 HydrophobicContact CD-CD2 4.13Å; K296-L344 HydrophobicContact CG-CD2 3.88Å; I299-L344 HydrophobicContact CB-CD1 4.2Å; I299-L344 HydrophobicContact CD1-CD1 3.76Å; I299-L344 HydrophobicContact CG2-CD1 3.77Å; L340-L344 WeakPolarHBondContact O-CG 3.46Å; L340-L344 PolarHBondContact O-N 3.15Å; V341-L344 CarbonylContact O-C 3.47Å; V341-L344 WeakPolarHBondContact O-CA 3.2Å; V341-L344 PolarHBondContact O-N 3.2Å; G342-L344 VanDerWaalsContact C-N 3.28Å; L344-D346 PolarHBondContact O-N 2.7Å; L344-I347 HydrophobicContact CB-CD1 4.4Å; L344-I347 HydrophobicContact CB-CG1 4.11Å; L344-I347 HydrophobicContact CD2-CD1 4.16Å; L344-I347 HydrophobicContact CD2-CG1 4.26Å; L344-I347 WeakPolarHBondContact O-CG1 3.22Å; L344-I347 PolarHBondContact O-N 3.24Å; L344-L348 HydrophobicContact CB-CB 4.48Å; L344-L348 HydrophobicContact CB-CD1 3.73Å; L344-L348 HydrophobicContact CB-CG 4.08Å; L344-L348 HydrophobicContact CD1-CD1 3.89Å; L344-L348 HydrophobicContact CG-CD1 4.48Å; L344-L348 PolarHBondContact O-N 3.06Å
345S76Confident74.2Confident93 Ų9366.4 Ų66.465%0.6536%0.356SS*.THydrogen-bonded Turntrans-62.2-5.7-17865.70000115.5G342G342-S345 WeakPolarHBondContact O-CB 3.19Å
346D74.5Confident73.9Confident105 Ų10567.4 Ų67.456%0.56136%0.356SS*.THydrogen-bonded Turntrans-94.3-10175.475.2-28.9000113.8K296 L344K296-D346 WeakPolarHBondContact CE-OD1 3.47Å; K296-D346 IonicContact NZ-OD1 2.6Å; K296-D346 PolarHBondContact NZ-OD1 3.47Å; K296-D346 IonicContact NZ-OD2 2.67Å; K296-D346 PolarHBondContact NZ-OD2 3.32Å; L344-D346 PolarHBondContact O-N 2.7Å
347I81.2Confident73.7Confident19 Ų1971.4 Ų71.410%0.09737%0.372CS..THydrogen-bonded Turntrans-126.4-16.5171.654.9143.9000113.8K296 K300 L344 A364K296-I347 HydrophobicContact CG-CD1 3.64Å; K296-I347 HydrophobicContact CG-CG1 4.22Å; K300-I347 HydrophobicContact CB-CD1 3.82Å; K300-I347 HydrophobicContact CD-CB 4.12Å; K300-I347 HydrophobicContact CD-CG2 4.24Å; K300-I347 HydrophobicContact CG-CD1 4.34Å; L344-I347 HydrophobicContact CB-CD1 4.4Å; L344-I347 HydrophobicContact CB-CG1 4.11Å; L344-I347 HydrophobicContact CD2-CD1 4.16Å; L344-I347 HydrophobicContact CD2-CG1 4.26Å; L344-I347 WeakPolarHBondContact O-CG1 3.22Å; L344-I347 PolarHBondContact O-N 3.24Å; I347-A364 WeakPolarHBondContact O-CB 3.33Å; I347-A364 PolarHBondContact O-N 2.75Å
348L83.6Confident73.4Confident5 Ų571.7 Ų71.73%0.02637%0.372CS..EExtended strand (participates in β ladder)trans-120.9137.5-178.2-59.1179.8000111.1I299 V303 V341 L344 V361 F362I299-L348 HydrophobicContact CG2-CD1 3.97Å; V303-L348 HydrophobicContact CB-CD2 3.95Å; V303-L348 HydrophobicContact CG1-CD2 4.1Å; V303-L348 HydrophobicContact CG2-CD2 3.81Å; V341-L348 HydrophobicContact CG1-CD1 4.24Å; L344-L348 HydrophobicContact CB-CB 4.48Å; L344-L348 HydrophobicContact CB-CD1 3.73Å; L344-L348 HydrophobicContact CB-CG 4.08Å; L344-L348 HydrophobicContact CD1-CD1 3.89Å; L344-L348 HydrophobicContact CG-CD1 4.48Å; L344-L348 PolarHBondContact O-N 3.06Å; L348-V361 HydrophobicContact CB-CG1 3.84Å; L348-V361 HydrophobicContact CD1-CG1 3.93Å; L348-V361 HydrophobicContact CD2-CG1 4.09Å; L348-V361 HydrophobicContact CG-CG1 4.15Å; L348-F362 CarbonylContact C-O 3.55Å; L348-F362 WeakPolarHBondContact CA-O 3.38Å
349R79.6Confident73.6Confident108 Ų10870.8 Ų70.841%0.40837%0.365SS..EExtended strand (participates in β ladder)trans-111.6134.1174.9175.9177.3179.5-86.1-9.3109E351 V361 F362R349-E351 IonicContact CZ-OE1 2.73Å; R349-E351 VanDerWaalsContact NH1-CD 3.3Å; R349-E351 IonicContact NH1-OE1 3.57Å; R349-E351 PolarHBondContact NH1-OE1 3.41Å; R349-E351 IonicContact NH2-OE1 3.56Å; R349-E351 PolarHBondContact NH2-OE1 2.93Å; R349-V361 CarbonylContact O-C 3.6Å; R349-V361 WeakPolarHBondContact O-CA 3.2Å; R349-F362 HydrophobicContact CB-CB 4.41Å; R349-F362 PolarHBondContact N-O 2.7Å; R349-F362 PolarHBondContact O-N 2.75Å
350V83.9Confident74Confident64 Ų6467.9 Ų67.939%0.38835%0.352SS..EExtended strand (participates in β ladder)trans-117.5136.1-176.4-1700000111.3I312 V341 L359 L360I312-V350 HydrophobicContact CD1-CG1 4.45Å; V341-V350 HydrophobicContact CG1-CG2 3.61Å; V350-L359 HydrophobicContact CG1-CB 3.82Å; V350-L359 HydrophobicContact CG1-CD2 3.86Å; V350-L359 HydrophobicContact CG1-CG 4.29Å; V350-L360 CarbonylContact C-O 3.45Å; V350-L360 WeakPolarHBondContact CA-O 3.5Å
351E79.3Confident74.4Confident80 Ų8067.9 Ų67.937%0.37435%0.352SS..EExtended strand (participates in β ladder)trans-123163.5168.8-59.3-173.5153.200110.2R349 L359 L360 F362R349-E351 IonicContact CZ-OE1 2.73Å; R349-E351 VanDerWaalsContact NH1-CD 3.3Å; R349-E351 IonicContact NH1-OE1 3.57Å; R349-E351 PolarHBondContact NH1-OE1 3.41Å; R349-E351 IonicContact NH2-OE1 3.56Å; R349-E351 PolarHBondContact NH2-OE1 2.93Å; E351-L359 CarbonylContact O-C 3.59Å; E351-L359 WeakPolarHBondContact O-CA 3.29Å; E351-L360 PolarHBondContact N-O 3.06Å; E351-L360 PolarHBondContact O-N 3.14Å; E351-F362 HydrophobicContact CB-CE2 4.06Å; E351-F362 HydrophobicContact CG-CD2 4.36Å; E351-F362 HydrophobicContact CG-CE2 3.86Å; E351-F362 WeakPolarHBondContact OE2-CE2 3.42Å
352F73.1Confident74.6Confident119 Ų11969 Ų6952%0.52236%0.356SS..EExtended strand (participates in β ladder)trans-106.4131.2176.5-180-102.8000110.5E354 Q357 L359F352-E354 HydrophobicContact CD1-CG 4.05Å; F352-E354 HydrophobicContact CE1-CG 4.13Å; F352-Q357 HydrophobicContact CZ-CB 4.4Å; F352-L359 HydrophobicContact CB-CD2 4.07Å; F352-L359 HydrophobicContact CD2-CD2 3.9Å; F352-L359 HydrophobicContact CD2-CG 4.4Å; F352-L359 HydrophobicContact CG-CD2 4.5Å
353S68.7Low75Confident17 Ų1767.6 Ų67.612%0.11934%0.338CS..EExtended strand (participates in β ladder)trans-97.3102.5179-172.20000110.6E355 K356 Q357 D358S353-E355 PolarHBondContact O-N 2.83Å; S353-K356 PolarHBondContact O-N 2.92Å; S353-K356 VanDerWaalsContact O-N 3.12Å; S353-Q357 PolarHBondContact O-N 2.95Å; S353-D358 WeakPolarHBondContact CB-O 3.22Å; S353-D358 PolarHBondContact N-O 2.9Å
354E53.7Low75.3Confident143 Ų14367.7 Ų67.767%0.66834%0.339SS*.THydrogen-bonded Turntrans-59.9-29.4-178.9-63-173.7160.300112.7V129 F352 K356V129-E354 WeakPolarHBondContact CG2-OE1 3.45Å; F352-E354 HydrophobicContact CD1-CG 4.05Å; F352-E354 HydrophobicContact CE1-CG 4.13Å; E354-K356 VanDerWaalsContact C-N 3.27Å; E354-K356 PolarHBondContact O-N 3.47Å
355E48.3Very low75.1Confident173 Ų17373.4 Ų73.481%0.80837%0.37SS*.THydrogen-bonded Turntrans-66.8-21.7177.6-62.9-175.4170.300114.4S353S353-E355 PolarHBondContact O-N 2.83Å
356K57.3Low74.6Confident136 Ų13673.1 Ų73.159%0.59136%0.361SS*.THydrogen-bonded Turntrans-135.6-2.2-169.9-66.5-177.5-175168.30115.2F311 S353 E354 D358F311-K356 HydrophobicContact CE1-CB 4.37Å; F311-K356 HydrophobicContact CE1-CD 4.21Å; F311-K356 HydrophobicContact CE2-CD 4.41Å; F311-K356 HydrophobicContact CZ-CD 3.79Å; S353-K356 PolarHBondContact O-N 2.92Å; S353-K356 VanDerWaalsContact O-N 3.12Å; E354-K356 VanDerWaalsContact C-N 3.27Å; E354-K356 PolarHBondContact O-N 3.47Å; K356-D358 PolarHBondContact O-N 2.72Å; K356-D358 VanDerWaalsContact O-N 3.15Å
357Q67.2Low73.2Confident166 Ų16677.1 Ų77.178%0.77637%0.373SS*.THydrogen-bonded Turntrans55.723.9-177-56.5-172.1-3.800114.8F352 S353F352-Q357 HydrophobicContact CZ-CB 4.4Å; S353-Q357 PolarHBondContact O-N 2.95Å
358D71.9Confident71.3Confident32 Ų3280.5 Ų80.517%0.17140%0.396CS..EExtended strand (participates in β ladder)trans-123.1158177.8-167.913.7000110.8F311 S313 S353 K356F311-D358 WeakPolarHBondContact CB-OD2 3.42Å; F311-D358 HydrophobicContact CD1-CB 3.88Å; F311-D358 HydrophobicContact CE1-CB 4.44Å; S313-D358 WeakPolarHBondContact CB-OD2 3.32Å; S313-D358 PolarHBondContact N-OD2 3.4Å; S313-D358 PolarHBondContact OG-OD2 3.31Å; S353-D358 WeakPolarHBondContact CB-O 3.22Å; S353-D358 PolarHBondContact N-O 2.9Å; K356-D358 PolarHBondContact O-N 2.72Å; K356-D358 VanDerWaalsContact O-N 3.15Å
359L83.4Confident69.3Low47 Ų4786.6 Ų86.625%0.24643%0.433CS..EExtended strand (participates in β ladder)trans-89.6129.9-175.5-69.3163.5000110.1F311 I312 T338 V350 E351 F352F311-L359 CarbonylContact C-O 3.56Å; F311-L359 WeakPolarHBondContact CA-O 3.45Å; I312-L359 HydrophobicContact CB-CB 4.3Å; I312-L359 HydrophobicContact CD1-CB 3.59Å; I312-L359 HydrophobicContact CD1-CD1 3.83Å; I312-L359 HydrophobicContact CD1-CG 4.36Å; I312-L359 HydrophobicContact CG1-CB 3.81Å; I312-L359 PolarHBondContact N-O 3.32Å; T338-L359 HydrophobicContact CG2-CD1 3.69Å; V350-L359 HydrophobicContact CG1-CB 3.82Å; V350-L359 HydrophobicContact CG1-CD2 3.86Å; V350-L359 HydrophobicContact CG1-CG 4.29Å; E351-L359 CarbonylContact O-C 3.59Å; E351-L359 WeakPolarHBondContact O-CA 3.29Å; F352-L359 HydrophobicContact CB-CD2 4.07Å; F352-L359 HydrophobicContact CD2-CD2 3.9Å; F352-L359 HydrophobicContact CD2-CG 4.4Å; F352-L359 HydrophobicContact CG-CD2 4.5Å
360L84.6Confident67.2Low25 Ų2586.6 Ų86.613%0.13145%0.447CS..EExtended strand (participates in β ladder)trans-93.4126.9173.4-78.7166.9000109.9F311 V350 E351 F362F311-L360 HydrophobicContact CD1-CD2 3.8Å; F311-L360 HydrophobicContact CD1-CG 4.09Å; F311-L360 HydrophobicContact CD2-CD2 3.9Å; F311-L360 HydrophobicContact CE1-CD1 4.37Å; F311-L360 HydrophobicContact CE1-CD2 3.66Å; F311-L360 HydrophobicContact CE1-CG 3.76Å; F311-L360 HydrophobicContact CE2-CD2 3.75Å; F311-L360 HydrophobicContact CG-CD2 3.92Å; F311-L360 HydrophobicContact CZ-CD1 4.38Å; F311-L360 HydrophobicContact CZ-CD2 3.62Å; F311-L360 HydrophobicContact CZ-CG 4.07Å; V350-L360 CarbonylContact C-O 3.45Å; V350-L360 WeakPolarHBondContact CA-O 3.5Å; E351-L360 PolarHBondContact N-O 3.06Å; E351-L360 PolarHBondContact O-N 3.14Å; L360-F362 HydrophobicContact CB-CE2 3.76Å; L360-F362 HydrophobicContact CB-CZ 4.21Å
361V86.5Confident64.9Low0 Ų090.4 Ų90.40%047%0.473CS..EExtended strand (participates in β ladder)trans-105.2131.9178.1-166.10000109.6V303 G309 L310 I312 V341 L348 R349V303-V361 HydrophobicContact CG1-CB 4.44Å; V303-V361 HydrophobicContact CG1-CG1 4.14Å; V303-V361 WeakPolarHBondContact CG1-O 3.3Å; V303-V361 HydrophobicContact CG2-CG1 4.12Å; G309-V361 CarbonylContact C-O 3.37Å; G309-V361 WeakPolarHBondContact CA-O 3.4Å; L310-V361 PolarHBondContact N-O 2.8Å; L310-V361 WeakPolarHBondContact O-CB 3.33Å; L310-V361 PolarHBondContact O-N 3.15Å; I312-V361 HydrophobicContact CD1-CG2 3.94Å; I312-V361 HydrophobicContact CG1-CG2 3.3Å; V341-V361 HydrophobicContact CG1-CG1 4.05Å; V341-V361 HydrophobicContact CG1-CG2 3.97Å; L348-V361 HydrophobicContact CB-CG1 3.84Å; L348-V361 HydrophobicContact CD1-CG1 3.93Å; L348-V361 HydrophobicContact CD2-CG1 4.09Å; L348-V361 HydrophobicContact CG-CG1 4.15Å; R349-V361 CarbonylContact O-C 3.6Å; R349-V361 WeakPolarHBondContact O-CA 3.2Å
362F85.1Confident62.8Low25 Ų2590.3 Ų90.311%0.1149%0.494CS..EExtended strand (participates in β ladder)trans-120.9153.4177-58-99000109.4V303 Q308 L348 R349 E351 L360 A364V303-F362 VanDerWaalsContact CG1-C 3.41Å; Q308-F362 VanDerWaalsContact C-CE1 3.48Å; L348-F362 CarbonylContact C-O 3.55Å; L348-F362 WeakPolarHBondContact CA-O 3.38Å; R349-F362 HydrophobicContact CB-CB 4.41Å; R349-F362 PolarHBondContact N-O 2.7Å; R349-F362 PolarHBondContact O-N 2.75Å; E351-F362 HydrophobicContact CB-CE2 4.06Å; E351-F362 HydrophobicContact CG-CD2 4.36Å; E351-F362 HydrophobicContact CG-CE2 3.86Å; E351-F362 WeakPolarHBondContact OE2-CE2 3.42Å; L360-F362 HydrophobicContact CB-CE2 3.76Å; L360-F362 HydrophobicContact CB-CZ 4.21Å; F362-A364 PolarHBondContact O-N 3.4Å
363D84.4Confident60.8Low16 Ų1688.3 Ų88.39%0.08651%0.507CS..EExtended strand (participates in β ladder)trans-67.4128.5165.4-173.8-37.8000108.3K300 D365 L366K300-D363 WeakPolarHBondContact CE-OD1 3.14Å; K300-D363 WeakPolarHBondContact CE-OD2 3.21Å; K300-D363 WeakPolarHBondContact CG-OD2 3.46Å; K300-D363 IonicContact NZ-OD1 2.62Å; D363-D365 PolarHBondContact O-N 3.26Å; D363-D365 PolarHBondContact OD1-N 3.29Å; D363-L366 HydrophobicContact CB-CB 4.16Å; D363-L366 HydrophobicContact CB-CD1 3.89Å; D363-L366 HydrophobicContact CB-CG 3.88Å; D363-L366 PolarHBondContact O-N 2.79Å; D363-L366 VanDerWaalsContact O-N 3.17Å
364A79.3Confident58.8Low46 Ų4692.2 Ų92.238%0.3854%0.54SS..THydrogen-bonded Turntrans-64.3-23.6-17600000113.6I347 F362I347-A364 WeakPolarHBondContact O-CB 3.33Å; I347-A364 PolarHBondContact O-N 2.75Å; F362-A364 PolarHBondContact O-N 3.4Å
365D74.9Confident57.6Low123 Ų12393.9 Ų93.966%0.65855%0.553SS**THydrogen-bonded Turntrans-85.9-18.5177.7-68.5-42.9000113K300 D363 K367K300-D365 IonicContact NZ-OD2 3.43Å; K300-D365 PolarHBondContact NZ-OD2 3.1Å; D363-D365 PolarHBondContact O-N 3.26Å; D363-D365 PolarHBondContact OD1-N 3.29Å; D365-K367 PolarHBondContact O-N 2.92Å
366L66.8Low56.5Low87 Ų8791 Ų9146%0.45555%0.552SS.*SBendtrans-83.693.5177.6-66.9-177.3000110.9D363D363-L366 HydrophobicContact CB-CB 4.16Å; D363-L366 HydrophobicContact CB-CD1 3.89Å; D363-L366 HydrophobicContact CB-CG 3.88Å; D363-L366 PolarHBondContact O-N 2.79Å; D363-L366 VanDerWaalsContact O-N 3.17Å
367K44.2Very low55.2Low189 Ų18989.8 Ų89.882%0.82256%0.56SS**PPolyproline II helixtrans-60.4131.4172.4-72.8-177.5177.9175.30111.4D365 V369D365-K367 PolarHBondContact O-N 2.92Å; K367-V369 PolarHBondContact O-N 3.46Å
368P41.8Very low53.2Low90 Ų9088.1 Ų88.158%0.58456%0.561SS**PPolyproline II helixtrans-59134.9171.9-24.334.1000112.1
369V40.4Very low51Low133 Ų13396.5 Ų96.581%0.80659%0.59SS**PPolyproline II helixtrans-76.6125.6168.3179.10000108K367K367-V369 PolarHBondContact O-N 3.46Å
370P36.1Very low48.3Very low108 Ų108101 Ų10170%0.70162%0.615SS**PPolyproline II helixtrans-70.9130.6-175.827.5-34.3000111.7G372P370-G372 PolarHBondContact O-N 3.37Å
371P36.3Very low45.5Very low143 Ų143104.9 Ų104.993%0.92964%0.644SS**SBendtrans-76.192.1174.830.4-33.6000110.7
372G34.5Very low42.4Very low78 Ų78110.2 Ų110.280%0.80468%0.68SS**  trans179.488.417600000114.1P370P370-G372 PolarHBondContact O-N 3.37Å
373G31.5Very low39.5Very low78 Ų78116.5 Ų116.580%0.80471%0.714SS**  trans-172.773.1-177.800000115.2
374A26.6Very low36.7Very low98 Ų98121.3 Ų121.381%0.8174%0.744SS**  trans27.7125.9159.300000121
375L28.2Very low34.1Very low179 Ų179127 Ų12794%0.93776%0.762SS**  trans-76.5119.3151.3-87.9170.7000110.3
376S25.9Very low32.3Very low112 Ų112125.3 Ų125.378%0.78376%0.758SS**  trans-118102.8158.2630000109.2
377S29.3Very low30.4Very low111 Ų111126.8 Ų126.878%0.77677%0.767SS**  trans-87.5127.8-179.1-179.40000112.5
378V25.5Very low29.9Very low131 Ų131125.1 Ų125.179%0.79476%0.759SS**  trans-146.5121.5150.1-168.50000103.8
379R26Very low29.2Very low207 Ų207129.1 Ų129.178%0.78177%0.767SS**  -165.8144.553.9-153.5166.6-152.71776.6112
380N26.4Very low28.6Very low141 Ų141128.1 Ų128.175%0.75476%0.762SS**  trans23.2141.9147.8-44.35.2000119.4
381S25.3Very low28Very low107 Ų107129.2 Ų129.275%0.74876%0.762SS**  cis-172.3141.946.4-165.60000114.3
382C22.1Very low27.4Very low112 Ų112127.3 Ų127.376%0.75775%0.748SS**  trans24114.7154.3-56.80000122.3
383L24.9Very low27.1Very low158 Ų158131.4 Ų131.483%0.82775%0.751SS**  -163.9146.7103.7-127.176.9000112.8
384V23.9Very low26.9Very low117 Ų117132.3 Ų132.371%0.70975%0.751SS**  trans19.8134.4141171.70000118.7
385Q25.5Very low26.7Very low165 Ų165139.6 Ų139.677%0.77176%0.758SS**  cis-174.3-178.3-5.4-107.1-162.582.700107.1
386P37.2Very low26.3Very low88 Ų88136.4 Ų136.457%0.57175%0.745SS**  cis-131.6166.6-49.338.8-23.2000113.2
387D27.3Very low26.2Very low118 Ų118136 Ų13663%0.63174%0.743SS**  trans53.5143.8141.9-71.9-22.4000122.7
388K33.7Very low26Very low154 Ų154136.2 Ų136.267%0.6774%0.744SS**  cis-156.7135.56.4-121.4150.8-166.5139.30110.8
389K27.5Very low26.9Very low173 Ų173135.3 Ų135.375%0.75274%0.741SS**  44.9142.6124.7-66.2-166.6175.6-170.20119.6
390T26.4Very low26.9Very low113 Ų113130.8 Ų130.869%0.69374%0.741SS**  cis-180159.814.519.70000107
391D24.3Very low26.9Very low130 Ų130136 Ų13670%0.69575%0.75SS**  cis-169.9173.5-21.8-134.7-44.4000110.6
392T24.2Very low27.3Very low104 Ų104136 Ų13664%0.63875%0.75SS**  trans52.7110.4152.953.60000122.8
393N26.6Very low28.6Very low163 Ų163136.7 Ų136.787%0.87275%0.753SS**  50.1142108.2-55.4-13.7000122.7
394A27.3Very low28.9Very low97 Ų97134.1 Ų134.180%0.80275%0.749SS**  trans-119.8149.516800000112.1
395W22.3Very low29.1Very low251 Ų251140 Ų14095%0.95176%0.758SS**  trans-165.5161.2155.8-133.9-13.5000115.7
396V21.7Very low29.5Very low112 Ų112138.9 Ų138.968%0.67976%0.757SS**  trans60.9104159.6-171.10000121.2
397S23.2Very low30.4Very low105 Ų105140 Ų14073%0.73477%0.765SS**  35.2127.1125.9-46.20000124.1
398S24.9Very low30.7Very low115 Ų115142.2 Ų142.280%0.80478%0.776SS**  5.1154.7127.7-49.90000120.6
399P43.5Very low30.4Very low112 Ų112140.4 Ų140.473%0.72778%0.782SS**  cis-149.5172.92943.2-23.3000120.2
400S27Very low30.3Very low111 Ų111138.1 Ų138.178%0.77678%0.783SS**  trans74.7127142.871.30000122.7
401R26.3Very low30.3Very low252 Ų252139.4 Ų139.495%0.95179%0.791SS**  trans-159155.9135.7-121-179-176.6-1580.3112.6
402S32.5Very low30.2Very low107 Ų107137.4 Ų137.475%0.74879%0.792SS**  trans-144.2-179.817272.20000107.7
403P50.5Low30.3Very low125 Ų125139.6 Ų139.681%0.81281%0.805SS**  -144.4-152.651.739.4-15.5000115.1
404S31.5Very low30.2Very low105 Ų105140.8 Ų140.873%0.73480%0.802SS**  trans-133.5174.7-157.9590000116.2
405R28.3Very low30Very low239 Ų239144.7 Ų144.790%0.90280%0.801SS**  trans-170.1169.8149.6-107.7168.8-167.7-139.72.4114.9
406N33.3Very low30.1Very low143 Ų143137.3 Ų137.377%0.76578%0.784SS**  trans-151.1-171-167.6-46.794.2000109.5
407P56.3Low30.1Very low112 Ų112137 Ų13773%0.72778%0.782SS**  cis-144.9-177.9145.8-26.5000118.6
408L32.4Very low30.1Very low164 Ų164142.3 Ų142.386%0.85979%0.786SS**  trans57.2120.8144.9-108.273.6000125.9
409S27.5Very low30Very low115 Ų115143 Ų14380%0.80478%0.781SS**  177.2-177.3125.548.90000109.9
410T25.4Very low29.3Very low125 Ų125143 Ų14377%0.76778%0.782SS**  -160.6145.7-67.1-69.40000107.5
411V26.3Very low29.3Very low141 Ų141143.8 Ų143.886%0.85579%0.785SS**  trans147.1151.1154.4161.10000111.7
412A23Very low29.5Very low88 Ų88138.9 Ų138.973%0.72778%0.777SS**  trans-142.9165.6176.600000110.7
413V25.8Very low29.2Very low150 Ų150142.6 Ų142.691%0.90978%0.78SS**  trans-171.1164.4148.7132.90000112.2
414K24.8Very low28Very low188 Ų188141.8 Ų141.882%0.81777%0.769SS**  trans-84.5169.3-176.2-52.8161.2-177.9172.20112.2
415K22.6Very low27.8Very low179 Ų179145 Ų14578%0.77877%0.771SS**  146.514697.9-148-168.2178.1-171.60115.4
416T25.5Very low27.7Very low95 Ų95142.2 Ų142.258%0.58377%0.766SS**  trans56.2115.3150.933.80000122.8
417T22.3Very low27.3Very low106 Ų106143 Ų14365%0.6577%0.765SS**  31.1148.9102-30.80000121.1
418W22.7Very low26.6Very low216 Ų216142.9 Ų142.982%0.81877%0.765SS**  trans82.8143.2169-49.8114.5000114.8
419D21.6Very low26.4Very low129 Ų129142.6 Ų142.669%0.6976%0.759SS**  cis-155.5175.6-12.8-143.6-22.9000111.3
420C30.7Very low26.5Very low112 Ų112143.6 Ų143.676%0.75775%0.751SS**  trans-78.7154.1159-67.20000111.5
421P26.7Very low26.7Very low129 Ų129144.7 Ų144.784%0.83875%0.745SS**  trans-132131.3140.917.62.6000114.4
422L29Very low26.8Very low149 Ų149145.2 Ų145.278%0.7874%0.741SS**  trans-79149.2167.5174.373.4000111.4
423K28.1Very low27Very low184 Ų184151.2 Ų151.280%0.875%0.747SS**  trans157.8150.5145.8-89.1155.2-174.7178.30110.6
424N24.6Very low27Very low109 Ų109154 Ų15458%0.58375%0.746SS**  cis-168.2-175.7-16.4-114.811.8000108.5
425H26.6Very low27.4Very low171 Ų171153.7 Ų153.779%0.79275%0.745SS**  trans77.6152.5165.2-50-87000116.7
426K26.4Very low28.1Very low181 Ų181150.3 Ų150.379%0.78774%0.742SS**  cis-163.1154-42-125.3-171.8177.2-164.40109.6
427E25.6Very low28.1Very low159 Ų159152.7 Ų152.774%0.74375%0.751SS**  trans-33.3170166.3-75.6165.6148.300119.1
428P41.4Very low29Very low111 Ų111155 Ų15572%0.72176%0.758SS**  cis-144.7158.42738.5-16.9000121.5
429E27.9Very low29.2Very low157 Ų157151.7 Ų151.773%0.73476%0.762SS**  trans28.7160.4135-54.5-167.414000126.5
430Q30.4Very low29.9Very low136 Ų136151.3 Ų151.364%0.63676%0.763SS**  trans117.8134.8139.6-57.2-164.716.800115.8
431K29.3Very low29.7Very low149 Ų149155.5 Ų155.565%0.64877%0.769SS**  cis-163.4157.7-4.7-118.8170.6-170.8156.60113.4
432I28.3Very low30.1Very low151 Ų151154.1 Ų154.177%0.77476%0.76SS**  trans75.5124.5148.6-67.3163.3000120.5
433Y26.5Very low30Very low215 Ų215155.8 Ų155.884%0.84377%0.768SS**  trans-87.2159.9162.3-86.3-117.1000112.1
434K26.6Very low30Very low208 Ų208155.7 Ų155.790%0.90477%0.771SS**  -170.3131.5125.6-105.9159.7-173.61800115.9
435K31.8Very low30.1Very low182 Ų182158.4 Ų158.479%0.79179%0.785SS**  trans-73.7163.8149.7-115-179.9-178.3-178.90108.4
436P38.7Very low30.1Very low108 Ų108158.3 Ų158.370%0.70179%0.785SS**  -159.2167.159.643.3-21.8000120.5
437N25.7Very low30.5Very low145 Ų145156.1 Ų156.178%0.77579%0.786SS**  trans55149.3137.7-59.9-0.5000124.8
438L41.5Very low30.6Very low154 Ų154157.6 Ų157.681%0.80679%0.793SS**  trans-73.1155.7172.7-61.284.7000113.4V440L438-V440 HydrophobicContact CD2-CG2 4.5Å
439V26.2Very low30.5Very low147 Ų147156 Ų15689%0.89179%0.789SS**  trans-134.3140.8143.6179.20000108.2
440V35.5Very low30.6Very low120 Ų120154.9 Ų154.973%0.72779%0.788SS**  trans-119.8134.2175.8178.30000108.9L438L438-V440 HydrophobicContact CD2-CG2 4.5Å
441K26.8Very low30.7Very low201 Ų201158.4 Ų158.487%0.87480%0.801SS**  trans-162.4163151.8-105.6-177.3179.8-177.60109.6
442P35.8Very low31.1Very low100 Ų100155.5 Ų155.565%0.64980%0.8SS**  trans-107.4162.4-135.939.6-38.5000115.1
443L25.8Very low31.5Very low183 Ų183155.8 Ų155.896%0.95880%0.798SS**  trans-120.6129.5150.6-73.2172.5000108.2
444Q29.2Very low31.7Very low182 Ų182151.9 Ų151.985%0.8579%0.791SS**  trans-136.4104.5-177.3-179.5176.77.400107.1
445L26.1Very low32Very low167 Ų167146.3 Ų146.387%0.87478%0.778SS**  trans-138.9115175.2-149.778.6000110.7
446Q27.2Very low32.3Very low169 Ų169144.1 Ų144.179%0.7977%0.774SS**  trans35.8116.3164.4-52.5-57.74.100120.3
447V35.2Very low31.9Very low134 Ų134142.6 Ų142.681%0.81277%0.766SS**  trans-75.8129.5149.8171.40000108
448E26.8Very low32.5Very low191 Ų191140.4 Ų140.489%0.89376%0.758SS**  trans-131.4145.2159-152.8153.1-129.500109.2
449A40Very low32.6Very low78 Ų78134.3 Ų134.365%0.64573%0.73SS**  trans-107.6106.8-14100000115.7
450N28.6Very low33.5Very low132 Ų132132.7 Ų132.771%0.70672%0.716SS**  trans-103.673.6160.5-82.6-37.1000111S452N450-S452 PolarHBondContact O-N 3.19Å
451K33.8Very low34.3Very low210 Ų210135 Ų13591%0.91372%0.719SS**THydrogen-bonded Turntrans-77.516.7-169.1-151.5178.3-179.1179.50115
452S37.5Very low36.3Very low89 Ų89130.3 Ų130.362%0.62270%0.703SS**THydrogen-bonded Turntrans-121.8-10.2-167.749.60000115.6N450N450-S452 PolarHBondContact O-N 3.19Å
453Q35.5Very low38.6Very low157 Ų157127.4 Ų127.473%0.73468%0.682SS**SBendtrans-116-13-177.1-71.8-177.9-2300115.1
454L31.6Very low41.6Very low133 Ų133119.4 Ų119.470%0.69664%0.641SS**THydrogen-bonded Turntrans-85.3-0.1180-81.1166.7000115V458L454-V458 WeakPolarHBondContact O-CG2 3.37Å
455S32.7Very low44.3Very low90 Ų90117.6 Ų117.663%0.62965%0.645SS**THydrogen-bonded Turntrans-84.9-17.1-179.850.70000114.6
456L38.6Very low47.4Very low137 Ų137111.8 Ų111.872%0.71762%0.615SS**THydrogen-bonded Turntrans-98.9-32.7-175.3-115.3124000113.6
457S30.3Very low50.4Low75 Ų75104.2 Ų104.252%0.52458%0.581SS.*SBendtrans-79-21.5-177.8480000114.2
458V38.7Very low52.9Low99 Ų9998.7 Ų98.760%0.655%0.547SS*.SBendtrans-86.7-25-179.5-176.70000112.4L454 N460L454-V458 WeakPolarHBondContact O-CG2 3.37Å; V458-N460 VanDerWaalsContact C-N 3.35Å; V458-N460 PolarHBondContact O-N 3.45Å
459A42.1Very low55.1Low26 Ų2694.3 Ų94.322%0.21554%0.537CS..G310 helixtrans-78.4-10.1-171.700000115.3H461A459-H461 VanDerWaalsContact C-N 3.29Å; A459-H461 PolarHBondContact O-N 3.34Å
460N46.4Very low56.2Low114 Ų11493.6 Ų93.661%0.6153%0.531SS*.G310 helixtrans-80.9-1.9-174.4-70.7-25.1000114.5V458V458-N460 VanDerWaalsContact C-N 3.35Å; V458-N460 PolarHBondContact O-N 3.45Å
461H51.6Low57.9Low168 Ų16893.5 Ų93.578%0.77852%0.524SS*.G310 helixtrans-90.4-11.8177.1-69.1-57.2000114.3A459A459-H461 VanDerWaalsContact C-N 3.29Å; A459-H461 PolarHBondContact O-N 3.34Å
462D68.9Low59.7Low103 Ų10389.1 Ų89.155%0.55151%0.505SS*.SBendtrans-89.3-5.9-175.9-65.4-33.6000114
463I83.4Confident62.1Low38 Ų3885 Ų8520%0.19548%0.476CS..SBendtrans-99.5124.7-179.9-44.5172.5000109A467 F537 F588I463-A467 HydrophobicContact CG2-CB 3.87Å; I463-F537 HydrophobicContact CD1-CE1 4.34Å; I463-F537 HydrophobicContact CD1-CE2 3.94Å; I463-F537 HydrophobicContact CD1-CZ 3.46Å; I463-F537 VanDerWaalsContact CD1-CZ 3.46Å; I463-F537 HydrophobicContact CG1-CE2 3.98Å; I463-F537 HydrophobicContact CG1-CZ 4.03Å; I463-F588 HydrophobicContact CG1-CZ 4.42Å; I463-F588 HydrophobicContact CG2-CE1 4.44Å; I463-F588 HydrophobicContact CG2-CE2 4.46Å; I463-F588 HydrophobicContact CG2-CZ 4.25Å
464P88.7Confident64.6Low16 Ų1681 Ų8110%0.10446%0.464CS..  trans-58.7138171.4-26.736.8000111.5D466 A467 R530 Y531P464-D466 PolarHBondContact O-N 2.89Å; P464-D466 VanDerWaalsContact O-N 3.11Å; P464-A467 HydrophobicContact CB-CB 4.19Å; P464-A467 WeakPolarHBondContact O-CB 3.29Å; P464-A467 PolarHBondContact O-N 3.05Å; P464-R530 WeakPolarHBondContact CG-O 3.29Å; P464-Y531 HydrophobicContact CB-CD1 4.01Å; P464-Y531 HydrophobicContact CB-CE1 3.43Å; P464-Y531 VanDerWaalsContact CB-CE1 3.43Å; P464-Y531 HydrophobicContact CG-CD1 3.68Å; P464-Y531 HydrophobicContact CG-CE1 3.64Å; P464-Y531 HydrophobicContact CG-CG 4.13Å
465P86.9Confident67.2Low144 Ų14478 Ų7894%0.93544%0.444SS*.THydrogen-bonded Turntrans-67.1-16.9-17427.4-36000113.7
466D91Very high70Confident45 Ų4575.3 Ų75.324%0.24142%0.422CS..THydrogen-bonded Turntrans-100.710.7173.673.1-31.5000113.2P464 Y531 K590 C591P464-D466 PolarHBondContact O-N 2.89Å; P464-D466 VanDerWaalsContact O-N 3.11Å; D466-Y531 VanDerWaalsContact CG-OH 3.24Å; D466-Y531 WeakPolarHBondContact OD1-CE1 2.98Å; D466-Y531 PolarHBondContact OD1-OH 3.17Å; D466-Y531 PolarHBondContact OD2-OH 3.35Å; D466-Y531 VanDerWaalsContact OD2-OH 3.12Å; D466-K590 CarbonylContact O-C 3.46Å; D466-K590 VanDerWaalsContact O-CA 3.32Å; D466-K590 WeakPolarHBondContact O-CA 3.44Å; D466-K590 WeakPolarHBondContact OD2-CE 3.46Å; D466-K590 IonicContact OD2-NZ 3.7Å; D466-K590 PolarHBondContact OD2-NZ 3.47Å; D466-C591 PolarHBondContact O-N 3Å; D466-C591 PolarHBondContact O-SG 3.24Å
467A90.7Very high72.4Confident10 Ų1071.3 Ų71.38%0.08340%0.404CS..BIsolated β-bridgetrans-75.7148.817300000112.2I463 P464 C469 F588 L589I463-A467 HydrophobicContact CG2-CB 3.87Å; P464-A467 HydrophobicContact CB-CB 4.19Å; P464-A467 WeakPolarHBondContact O-CB 3.29Å; P464-A467 PolarHBondContact O-N 3.05Å; A467-C469 PolarHBondContact O-N 2.99Å; A467-C469 VanDerWaalsContact O-N 3.14Å; A467-F588 HydrophobicContact CB-CB 3.89Å; A467-F588 HydrophobicContact CB-CD1 4.4Å; A467-F588 HydrophobicContact CB-CG 4.18Å; A467-L589 CarbonylContact C-O 3.59Å; A467-L589 WeakPolarHBondContact CA-O 3.36Å
468V87.9Confident75.2Confident17 Ų1772.2 Ų72.210%0.10341%0.409CS..  trans-73.6104.8175.8176.10000110.1A470 L543 L589 C591 T594V468-A470 HydrophobicContact CG1-CB 4.2Å; V468-A470 VanDerWaalsContact CG1-O 3.29Å; V468-A470 WeakPolarHBondContact CG1-O 3.47Å; V468-L543 HydrophobicContact CG1-CB 4.49Å; V468-L543 HydrophobicContact CG1-CD2 4.27Å; V468-L589 HydrophobicContact CB-CB 4.37Å; V468-L589 HydrophobicContact CG2-CB 4.08Å; V468-L589 HydrophobicContact CG2-CD2 4.31Å; V468-L589 HydrophobicContact CG2-CG 4.25Å; V468-L589 VanDerWaalsContact CG2-O 3.31Å; V468-L589 WeakPolarHBondContact CG2-O 3.44Å; V468-L589 PolarHBondContact N-O 3.25Å; V468-C591 HydrophobicContact CG2-CB 4.35Å; V468-T594 HydrophobicContact CG1-CG2 4.23Å; V468-T594 HydrophobicContact CG2-CG2 3.43Å; V468-T594 VanDerWaalsContact CG2-CG2 3.43Å
469C72.1Confident77.7Confident99 Ų9968.2 Ų68.267%0.66938%0.384SS*.  trans-84.7-11.2166.4-61.40000112.8A467A467-C469 PolarHBondContact O-N 2.99Å; A467-C469 VanDerWaalsContact O-N 3.14Å
470A62.8Low80Confident64 Ų6472.8 Ų72.853%0.52941%0.405SS..  trans-80.7134.9-176.800000112.7V468 K472V468-A470 HydrophobicContact CG1-CB 4.2Å; V468-A470 VanDerWaalsContact CG1-O 3.29Å; V468-A470 WeakPolarHBondContact CG1-O 3.47Å; A470-K472 PolarHBondContact O-N 2.88Å
471K64.6Low82.1Confident130 Ų13071.7 Ų71.757%0.56540%0.402SS*.SBendtrans-87.32.2-172.6-52.4-161.7179.4-167.40115.9H542K471-H542 VanDerWaalsContact CE-NE2 3.27Å; K471-H542 WeakPolarHBondContact CE-NE2 3.5Å; K471-H542 PolarHBondContact NZ-NE2 2.57Å
472K71.9Confident83.7Confident118 Ų11868 Ų6851%0.51340%0.395SS..  trans-140.9136.4-175.2-66.4-169.2177.6-174.20111.9A470 Y690 S692A470-K472 PolarHBondContact O-N 2.88Å; K472-Y690 WeakPolarHBondContact CA-O 3.43Å; K472-S692 VanDerWaalsContact CD-OG 3.29Å; K472-S692 WeakPolarHBondContact CD-OG 3.35Å
473L87.1Confident84.6Confident3 Ų364.8 Ų64.82%0.01638%0.379CS..EExtended strand (participates in β ladder)trans-91.7152.9169.1-171.456.8000109.5L543 P573 A598 T691 S692L473-L543 HydrophobicContact CB-CD2 4.12Å; L473-L543 HydrophobicContact CD1-CD2 4.22Å; L473-P573 HydrophobicContact CD2-CB 4.07Å; L473-P573 HydrophobicContact CD2-CG 4.02Å; L473-A598 HydrophobicContact CD2-CB 3.86Å; L473-A598 HydrophobicContact CG-CB 4.24Å; L473-T691 HydrophobicContact CB-CG2 4.15Å; L473-T691 WeakPolarHBondContact O-CA 3.34Å; L473-T691 WeakPolarHBondContact O-CB 3.44Å; L473-S692 PolarHBondContact O-N 2.84Å; L473-S692 VanDerWaalsContact O-N 3.08Å
474C88.4Confident84.9Confident71 Ų7166.6 Ų66.648%0.4839%0.389SS..EExtended strand (participates in β ladder)trans-75.5144.6173.3-62.40000110.8P597 A598C474-P597 HydrophobicContact CB-CB 4.32Å; C474-P597 CarbonylContact O-C 3.51Å; C474-P597 WeakPolarHBondContact O-CA 3.46Å; C474-P597 WeakPolarHBondContact O-CB 3.35Å; C474-A598 PolarHBondContact O-N 3.42Å
475R87.2Confident84.9Confident71 Ų7166.1 Ų66.127%0.26839%0.386SS..BIsolated β-bridgetrans-77.5160.2166.3-61.4-179.3-159.9177.112.3110.7P597 A688 T691 S692R475-P597 WeakPolarHBondContact O-CB 3.33Å; R475-A688 PolarHBondContact NH2-O 3.48Å; R475-A688 VanDerWaalsContact NH2-O 3.15Å; R475-T691 WeakPolarHBondContact CD-OG1 3.38Å; R475-T691 WeakPolarHBondContact CG-OG1 3.36Å; R475-T691 PolarHBondContact NE-O 2.86Å; R475-T691 PolarHBondContact NE-OG1 3.01Å; R475-T691 PolarHBondContact NH2-O 2.92Å; R475-S692 PolarHBondContact N-O 2.88Å
476L89.8Confident85.1Confident33 Ų3359.6 Ų59.617%0.17335%0.345CS..PPolyproline II helixtrans-60149.5156.2-77.3164.5000109.6I502 P597 I601L476-I502 HydrophobicContact CD1-CD1 4.29Å; L476-P597 HydrophobicContact CD2-CG 3.66Å; L476-P597 HydrophobicContact CG-CB 4.41Å; L476-P597 HydrophobicContact CG-CG 4.05Å; L476-I601 HydrophobicContact CD1-CD1 4.03Å; L476-I601 HydrophobicContact CD1-CG1 4.09Å
477P89.2Confident85.2Confident53 Ų5357.5 Ų57.534%0.34433%0.334SS..PPolyproline II helixtrans-63152.6171.728.7-34.7000110.6
478P90.4Very high85.3Confident95 Ų9559.1 Ų59.162%0.61734%0.339SS*.PPolyproline II helixtrans-57.2143.7170.2-21.833.5000111.3Y639P478-Y639 HydrophobicContact CB-CD2 4.39Å; P478-Y639 HydrophobicContact CB-CE2 4.06Å
479L91.2Very high85.6Confident15 Ų1559 Ų598%0.07934%0.339CS..PPolyproline II helixtrans-83.8142.2172.5-60172.1000110.5V485 I502 V636 Y639 L644 L997L479-V485 HydrophobicContact CD1-CG1 4.15Å; L479-V485 HydrophobicContact CD1-CG2 4.3Å; L479-V485 HydrophobicContact CD2-CG1 4.4Å; L479-I502 HydrophobicContact CD1-CD1 4.36Å; L479-I502 HydrophobicContact CD2-CD1 3.99Å; L479-V636 HydrophobicContact CB-CG1 4.21Å; L479-V636 HydrophobicContact CB-CG2 3.81Å; L479-V636 HydrophobicContact CD1-CG2 3.83Å; L479-V636 HydrophobicContact CG-CG2 4.49Å; L479-Y639 HydrophobicContact CB-CE2 4.28Å; L479-Y639 PolarHBondContact N-OH 2.99Å; L479-Y639 VanDerWaalsContact N-OH 3.14Å; L479-Y639 WeakPolarHBondContact O-CE2 3.32Å; L479-L644 HydrophobicContact CD1-CD2 4.08Å; L479-L997 HydrophobicContact CD2-CD1 4.14Å
480D89.8Confident86.5Confident121 Ų12157.1 Ų57.165%0.64732%0.32SS*.PPolyproline II helixtrans-69.2141.6178.3-56.7-60.2000111.6T483 V636D480-T483 HydrophobicContact CB-CG2 3.79Å; D480-T483 WeakPolarHBondContact O-CB 3.5Å; D480-T483 VanDerWaalsContact O-CG2 3.28Å; D480-T483 WeakPolarHBondContact O-CG2 3.27Å; D480-T483 PolarHBondContact O-N 3.07Å; D480-T483 PolarHBondContact O-OG1 2.82Å; D480-V636 WeakPolarHBondContact O-CG1 3.29Å
481T90.7Very high87.9Confident91 Ų9158.5 Ų58.556%0.55831%0.312SS*.THydrogen-bonded Turntrans-54.1142.9174-73.90000112T483 D637T481-T483 PolarHBondContact O-N 3.46Å; T481-D637 WeakPolarHBondContact CB-O 3.47Å; T481-D637 VanDerWaalsContact CG2-O 3.22Å; T481-D637 WeakPolarHBondContact CG2-O 3.49Å; T481-D637 PolarHBondContact OG1-O 2.9Å
482S85.5Confident89.4Confident91 Ų9153.7 Ų53.764%0.63629%0.292SS*.THydrogen-bonded Turntrans65.38.8-174.2-50.40000116V636S482-V636 WeakPolarHBondContact CA-O 3.37Å; S482-V636 PolarHBondContact N-O 3.44Å
483T86.9Confident90.4Very high35 Ų3551.5 Ų51.522%0.21529%0.285CS..  trans-72.6142.1173.754.50000112.6D480 T481 V636D480-T483 HydrophobicContact CB-CG2 3.79Å; D480-T483 WeakPolarHBondContact O-CB 3.5Å; D480-T483 VanDerWaalsContact O-CG2 3.28Å; D480-T483 WeakPolarHBondContact O-CG2 3.27Å; D480-T483 PolarHBondContact O-N 3.07Å; D480-T483 PolarHBondContact O-OG1 2.82Å; T481-T483 PolarHBondContact O-N 3.46Å; T483-V636 PolarHBondContact O-N 3.05Å; T483-V636 WeakPolarHBondContact OG1-CG2 3.26Å
484L89.3Confident90.8Very high76 Ų7652 Ų5240%0.39829%0.29SS..EExtended strand (participates in β ladder)trans-95.2118.3171.4-64.2176.3000109.2V633 G634 V635 V1007L484-V633 HydrophobicContact CD2-CG1 4.36Å; L484-G634 WeakPolarHBondContact CA-O 3.29Å; L484-V635 HydrophobicContact CD2-CB 4.21Å; L484-V635 HydrophobicContact CD2-CG1 3.97Å; L484-V635 HydrophobicContact CD2-CG2 3.68Å; L484-V1007 HydrophobicContact CB-CG1 4.49Å; L484-V1007 HydrophobicContact CD1-CG1 3.83Å
485V89.6Confident91.1Very high6 Ų648.7 Ų48.74%0.03627%0.267CS..EExtended strand (participates in β ladder)trans-123.6136.8-178-73.40000111L479 V487 G634 V636 I646 L997L479-V485 HydrophobicContact CD1-CG1 4.15Å; L479-V485 HydrophobicContact CD1-CG2 4.3Å; L479-V485 HydrophobicContact CD2-CG1 4.4Å; V485-V487 HydrophobicContact CB-CG1 4.2Å; V485-V487 HydrophobicContact CG2-CG1 3.71Å; V485-G634 PolarHBondContact N-O 3.24Å; V485-G634 PolarHBondContact O-N 3.28Å; V485-V636 HydrophobicContact CG2-CG2 4.11Å; V485-I646 HydrophobicContact CG2-CD1 4.38Å; V485-L997 HydrophobicContact CG1-CD1 4.3Å
486G91.4Very high91.5Very high8 Ų846.2 Ų46.28%0.08226%0.261CS..EExtended strand (participates in β ladder)trans-73.5132.9164.800000109.1Y503 L632G486-Y503 PolarHBondContact O-N 3.06Å; G486-L632 WeakPolarHBondContact CA-O 3.43Å
487V93.8Very high91.7Very high0 Ų046 Ų460%026%0.258CS..EExtended strand (participates in β ladder)trans-139.9148.7-174.9-57.20000112.2V485 I500 R501 L632 I646 L648V485-V487 HydrophobicContact CB-CG1 4.2Å; V485-V487 HydrophobicContact CG2-CG1 3.71Å; V487-I500 HydrophobicContact CB-CB 4.48Å; V487-I500 HydrophobicContact CB-CD1 4.39Å; V487-I500 HydrophobicContact CG1-CD1 3.89Å; V487-R501 WeakPolarHBondContact CA-O 3.4Å; V487-L632 HydrophobicContact CG2-CB 3.98Å; V487-L632 PolarHBondContact N-O 2.9Å; V487-L632 PolarHBondContact O-N 2.9Å; V487-I646 HydrophobicContact CG1-CD1 4.45Å; V487-L648 HydrophobicContact CG2-CD2 3.91Å
488F91.9Very high92Very high44 Ų4443.4 Ų43.419%0.19324%0.242CC..EExtended strand (participates in β ladder)trans-105148.7158.2-73-70.2000109.1I500 R501 Y503 P631F488-I500 CarbonylContact O-C 3.27Å; F488-I500 WeakPolarHBondContact O-CA 3.3Å; F488-I500 VanDerWaalsContact O-CB 3.3Å; F488-I500 WeakPolarHBondContact O-CB 3.38Å; F488-R501 PolarHBondContact N-O 2.9Å; F488-R501 PolarHBondContact O-N 3.27Å; F488-Y503 HydrophobicContact CD2-CD2 4.2Å; F488-Y503 HydrophobicContact CD2-CG 4.4Å; F488-Y503 AromaticContact CE2-CD2 3.43Å; F488-Y503 HydrophobicContact CE2-CD2 3.43Å; F488-Y503 VanDerWaalsContact CE2-CD2 3.43Å; F488-Y503 HydrophobicContact CE2-CE2 4.01Å; F488-Y503 AromaticContact CE2-CG 3.9Å; F488-Y503 HydrophobicContact CE2-CG 3.9Å; F488-Y503 HydrophobicContact CZ-CD2 4.15Å; F488-Y503 HydrophobicContact CZ-CE2 4.38Å; F488-P631 HydrophobicContact CE1-CB 3.98Å; F488-P631 HydrophobicContact CE1-CG 4.45Å; F488-P631 HydrophobicContact CZ-CB 4.13Å
489V94Very high92.3Very high16 Ų1639.2 Ų39.210%0.09721%0.214CC..EExtended strand (participates in β ladder)trans-101.3108.4171.1-175.40000107.6I492 F498 I500 C627 L632 L648V489-I492 HydrophobicContact CG1-CD1 3.71Å; V489-I492 HydrophobicContact CG1-CG1 3.48Å; V489-I492 VanDerWaalsContact CG1-CG1 3.48Å; V489-F498 HydrophobicContact CG1-CB 4.31Å; V489-F498 HydrophobicContact CG1-CD2 3.88Å; V489-F498 HydrophobicContact CG1-CG 4.41Å; V489-I500 HydrophobicContact CG2-CG2 4.19Å; V489-C627 HydrophobicContact CB-CB 4.21Å; V489-C627 HydrophobicContact CG2-CB 4.36Å; V489-L632 HydrophobicContact CG2-CD1 3.91Å; V489-L648 HydrophobicContact CG2-CD1 4.01Å
490E90.7Very high92.5Very high59 Ų5938.5 Ų38.528%0.27621%0.21SC..EExtended strand (participates in β ladder)trans-86-41.7-169.7-63.3-66.516000112.3Y499 R501E490-Y499 PolarHBondContact N-O 2.73Å; E490-R501 HydrophobicContact CG-CB 3.77Å; E490-R501 IonicContact OE1-CZ 2.69Å; E490-R501 IonicContact OE1-NE 3.92Å; E490-R501 PolarHBondContact OE1-NE 3.07Å; E490-R501 IonicContact OE1-NH2 3.34Å; E490-R501 PolarHBondContact OE1-NH2 3.06Å
491Y93.7Very high92.7Very high92 Ų9233.9 Ų33.936%0.36118%0.184SC..EExtended strand (participates in β ladder)trans-143.9132.8-175.4-173.3-119.7000111.5I493 F498 Y499 F575 N577Y491-I493 HydrophobicContact CD1-CG1 4.32Å; Y491-I493 HydrophobicContact CE1-CD1 3.95Å; Y491-I493 HydrophobicContact CE1-CG1 3.68Å; Y491-F498 CarbonylContact O-C 3.52Å; Y491-F498 VanDerWaalsContact O-CA 3.22Å; Y491-F498 WeakPolarHBondContact O-CA 3.48Å; Y491-F498 WeakPolarHBondContact O-CB 3.38Å; Y491-Y499 HydrophobicContact CD1-CD2 4.02Å; Y491-Y499 HydrophobicContact CD1-CE2 4.32Å; Y491-Y499 PolarHBondContact O-N 2.74Å; Y491-F575 WeakPolarHBondContact CB-O 3.38Å; Y491-N577 HydrophobicContact CD1-CB 3.87Å; Y491-N577 HydrophobicContact CD2-CB 3.76Å; Y491-N577 HydrophobicContact CE1-CB 4.02Å; Y491-N577 HydrophobicContact CE2-CB 3.92Å; Y491-N577 HydrophobicContact CG-CB 3.75Å
492I94.6Very high92.7Very high30 Ų3030 Ų3015%0.15416%0.16CC..EExtended strand (participates in β ladder)trans-127.9116.8-172.5-60.3172.5000109.8V489 F498 F623 Q624 C627V489-I492 HydrophobicContact CG1-CD1 3.71Å; V489-I492 HydrophobicContact CG1-CG1 3.48Å; V489-I492 VanDerWaalsContact CG1-CG1 3.48Å; I492-F498 HydrophobicContact CB-CB 4.47Å; I492-F498 HydrophobicContact CG1-CB 4.14Å; I492-F623 HydrophobicContact CD1-CD1 4.25Å; I492-F623 HydrophobicContact CD1-CE1 4.22Å; I492-F623 HydrophobicContact CG1-CE1 4.32Å; I492-F623 HydrophobicContact CG2-CD1 3.71Å; I492-F623 HydrophobicContact CG2-CE1 3.95Å; I492-Q624 HydrophobicContact CB-CG 4.14Å; I492-Q624 HydrophobicContact CD1-CB 4.44Å; I492-Q624 HydrophobicContact CD1-CG 3.93Å; I492-Q624 HydrophobicContact CG2-CG 3.86Å; I492-C627 HydrophobicContact CD1-CB 3.85Å
493I94.1Very high92.8Very high71 Ų7129.1 Ų29.136%0.36414%0.143SC..EExtended strand (participates in β ladder)trans-96.7-45.8166.7-56.8168.7000109Y491 Q497Y491-I493 HydrophobicContact CD1-CG1 4.32Å; Y491-I493 HydrophobicContact CE1-CD1 3.95Å; Y491-I493 HydrophobicContact CE1-CG1 3.68Å; I493-Q497 WeakPolarHBondContact CA-O 3.49Å; I493-Q497 HydrophobicContact CB-CB 4.25Å; I493-Q497 HydrophobicContact CB-CG 4.29Å; I493-Q497 WeakPolarHBondContact CB-O 3.46Å; I493-Q497 HydrophobicContact CD1-CG 4.03Å; I493-Q497 PolarHBondContact N-O 3.46Å
494S94.9Very high92.5Very high15 Ų1528 Ų2811%0.10514%0.136CC..EExtended strand (participates in β ladder)trans-158.3171.7172.873.90000111.7S496 Q497S494-S496 PolarHBondContact O-N 3.43Å; S494-S496 VanDerWaalsContact O-N 3.13Å; S494-S496 PolarHBondContact OG-N 3.15Å; S494-Q497 PolarHBondContact N-O 2.88Å; S494-Q497 CarbonylContact O-C 3.6Å; S494-Q497 PolarHBondContact O-N 3.05Å; S494-Q497 PolarHBondContact OG-N 3.44Å
495P95.4Very high91.7Very high0 Ų030.7 Ų30.70%014%0.141CC..THydrogen-bonded Turntrans-59.9-16.7171.8-22.332000115.1F498 L605 W615 F623 L663P495-F498 WeakPolarHBondContact O-CE1 3.32Å; P495-L605 HydrophobicContact CB-CD2 4.43Å; P495-L605 WeakPolarHBondContact O-CB 3.35Å; P495-L605 PolarHBondContact O-N 3.11Å; P495-W615 HydrophobicContact CB-CD2 4.13Å; P495-W615 HydrophobicContact CB-CE3 4.38Å; P495-W615 HydrophobicContact CB-CH2 4.01Å; P495-W615 HydrophobicContact CB-CZ2 3.73Å; P495-W615 HydrophobicContact CB-CZ3 4.32Å; P495-W615 HydrophobicContact CG-CD2 3.8Å; P495-W615 HydrophobicContact CG-CE3 3.84Å; P495-W615 HydrophobicContact CG-CG 4.32Å; P495-W615 HydrophobicContact CG-CH2 4.3Å; P495-W615 HydrophobicContact CG-CZ2 4.26Å; P495-W615 HydrophobicContact CG-CZ3 4.09Å; P495-F623 HydrophobicContact CB-CD1 4.28Å; P495-F623 HydrophobicContact CB-CD2 4.29Å; P495-F623 HydrophobicContact CB-CE1 4.49Å; P495-F623 HydrophobicContact CB-CE2 4.48Å; P495-F623 HydrophobicContact CB-CG 4.18Å; P495-F623 HydrophobicContact CG-CB 3.84Å; P495-F623 HydrophobicContact CG-CD1 4.01Å; P495-F623 HydrophobicContact CG-CD2 4.32Å; P495-F623 HydrophobicContact CG-CG 3.81Å; P495-L663 HydrophobicContact CB-CD1 4.22Å; P495-L663 HydrophobicContact CG-CD1 4.17Å
496S94.7Very high91.2Very high20 Ų2035.1 Ų35.114%0.1417%0.165CC..THydrogen-bonded Turntrans-102.14.3170.3-57.60000113.5S494 S604 W615 S678S494-S496 PolarHBondContact O-N 3.43Å; S494-S496 VanDerWaalsContact O-N 3.13Å; S494-S496 PolarHBondContact OG-N 3.15Å; S496-S604 WeakPolarHBondContact CA-OG 3.26Å; S496-W615 PolarHBondContact OG-NE1 3.46Å; S496-S678 WeakPolarHBondContact O-CB 3.3Å; S496-S678 PolarHBondContact O-OG 3.35Å
497Q94.6Very high90.9Very high27 Ų2734.9 Ų34.913%0.12616%0.162CC..EExtended strand (participates in β ladder)trans-152.387.5-178.8-163.1-178.713.700110.4I493 S494 G680 F681I493-Q497 WeakPolarHBondContact CA-O 3.49Å; I493-Q497 HydrophobicContact CB-CB 4.25Å; I493-Q497 HydrophobicContact CB-CG 4.29Å; I493-Q497 WeakPolarHBondContact CB-O 3.46Å; I493-Q497 HydrophobicContact CD1-CG 4.03Å; I493-Q497 PolarHBondContact N-O 3.46Å; S494-Q497 PolarHBondContact N-O 2.88Å; S494-Q497 CarbonylContact O-C 3.6Å; S494-Q497 PolarHBondContact O-N 3.05Å; S494-Q497 PolarHBondContact OG-N 3.44Å; Q497-G680 PolarHBondContact NE2-O 2.86Å; Q497-G680 VanDerWaalsContact NE2-O 3.09Å; Q497-F681 HydrophobicContact CB-CE2 4.22Å; Q497-F681 HydrophobicContact CB-CZ 4.38Å; Q497-F681 HydrophobicContact CG-CD1 3.92Å; Q497-F681 HydrophobicContact CG-CD2 3.98Å; Q497-F681 HydrophobicContact CG-CE1 3.62Å; Q497-F681 HydrophobicContact CG-CE2 3.72Å; Q497-F681 HydrophobicContact CG-CG 4.08Å; Q497-F681 HydrophobicContact CG-CZ 3.52Å
498F95.6Very high90.3Very high0 Ų035 Ų350%016%0.162CC..EExtended strand (participates in β ladder)trans-138.9171.4173.861-86.9000110.5V489 Y491 I492 P495 I500 C603 L605 F623 I646 L648V489-F498 HydrophobicContact CG1-CB 4.31Å; V489-F498 HydrophobicContact CG1-CD2 3.88Å; V489-F498 HydrophobicContact CG1-CG 4.41Å; Y491-F498 CarbonylContact O-C 3.52Å; Y491-F498 VanDerWaalsContact O-CA 3.22Å; Y491-F498 WeakPolarHBondContact O-CA 3.48Å; Y491-F498 WeakPolarHBondContact O-CB 3.38Å; I492-F498 HydrophobicContact CB-CB 4.47Å; I492-F498 HydrophobicContact CG1-CB 4.14Å; P495-F498 WeakPolarHBondContact O-CE1 3.32Å; F498-I500 HydrophobicContact CD2-CG2 3.75Å; F498-I500 HydrophobicContact CE2-CG2 3.53Å; F498-C603 HydrophobicContact CD1-CB 4.46Å; F498-C603 WeakPolarHBondContact CD1-O 3.43Å; F498-C603 HydrophobicContact CD2-CB 3.7Å; F498-C603 HydrophobicContact CE1-CB 4.16Å; F498-C603 HydrophobicContact CE2-CB 3.34Å; F498-C603 HydrophobicContact CG-CB 4.26Å; F498-C603 HydrophobicContact CZ-CB 3.6Å; F498-C603 PolarHBondContact N-O 3.2Å; F498-C603 PolarHBondContact O-N 3.2Å; F498-L605 HydrophobicContact CE1-CB 4.19Å; F498-F623 HydrophobicContact CB-CE1 4.35Å; F498-F623 AromaticContact CD1-CE1 3.77Å; F498-F623 HydrophobicContact CD1-CE1 3.77Å; F498-F623 AromaticContact CD1-CZ 3.72Å; F498-F623 HydrophobicContact CD1-CZ 3.72Å; F498-F623 HydrophobicContact CE1-CE1 4.21Å; F498-F623 AromaticContact CE1-CZ 3.67Å; F498-F623 HydrophobicContact CE1-CZ 3.67Å; F498-F623 HydrophobicContact CG-CE1 4.07Å; F498-F623 HydrophobicContact CG-CZ 4.17Å; F498-F623 HydrophobicContact CZ-CZ 4.09Å; F498-I646 HydrophobicContact CE2-CG2 4.23Å; F498-I646 HydrophobicContact CZ-CG2 3.85Å; F498-L648 HydrophobicContact CE2-CD1 3.92Å; F498-L648 HydrophobicContact CZ-CD1 3.89Å; F498-L648 HydrophobicContact CZ-CG 4.49Å
499Y95.9Very high89.9Confident6 Ų634.9 Ų34.92%0.02416%0.163CC..EExtended strand (participates in β ladder)trans-121.7139175.2-69.1-96.6000110.3E490 Y491 G576 A600 I601 P602 F681E490-Y499 PolarHBondContact N-O 2.73Å; Y491-Y499 HydrophobicContact CD1-CD2 4.02Å; Y491-Y499 HydrophobicContact CD1-CE2 4.32Å; Y491-Y499 PolarHBondContact O-N 2.74Å; Y499-G576 WeakPolarHBondContact CE2-O 3.44Å; Y499-A600 HydrophobicContact CD1-CB 3.99Å; Y499-I601 VanDerWaalsContact CA-O 3.31Å; Y499-I601 WeakPolarHBondContact CA-O 3.38Å; Y499-P602 HydrophobicContact CD1-CB 4.06Å; Y499-P602 HydrophobicContact CE1-CB 3.73Å; Y499-F681 HydrophobicContact CE1-CE1 4.45Å; Y499-F681 AromaticContact CE2-CE1 3.95Å; Y499-F681 HydrophobicContact CE2-CE1 3.95Å; Y499-F681 HydrophobicContact CE2-CZ 4.24Å; Y499-F681 AromaticContact CZ-CE1 3.76Å
500I95.3Very high89.8Confident0 Ų038.2 Ų38.20%018%0.179CC..EExtended strand (participates in β ladder)trans-114.9162.1173.270.6175.9000111.4V487 F488 V489 F498 I601 C603 L644 I646V487-I500 HydrophobicContact CB-CB 4.48Å; V487-I500 HydrophobicContact CB-CD1 4.39Å; V487-I500 HydrophobicContact CG1-CD1 3.89Å; F488-I500 CarbonylContact O-C 3.27Å; F488-I500 WeakPolarHBondContact O-CA 3.3Å; F488-I500 VanDerWaalsContact O-CB 3.3Å; F488-I500 WeakPolarHBondContact O-CB 3.38Å; V489-I500 HydrophobicContact CG2-CG2 4.19Å; F498-I500 HydrophobicContact CD2-CG2 3.75Å; F498-I500 HydrophobicContact CE2-CG2 3.53Å; I500-I601 HydrophobicContact CG1-CB 3.84Å; I500-I601 HydrophobicContact CG1-CG2 4.48Å; I500-I601 PolarHBondContact N-O 3.08Å; I500-I601 PolarHBondContact O-N 3Å; I500-C603 VanDerWaalsContact CD1-SG 3.59Å; I500-C603 HydrophobicContact CG2-CB 4.36Å; I500-L644 HydrophobicContact CD1-CD2 3.93Å; I500-I646 HydrophobicContact CD1-CD1 3.82Å
501R93.6Very high89.9Confident25 Ų2535.6 Ų35.69%0.09417%0.167CC..EExtended strand (participates in β ladder)trans-128.8143.2165.9-177.3169.156.593.512.5109.4V487 F488 E490 Y503 S508 L511 Q599V487-R501 WeakPolarHBondContact CA-O 3.4Å; F488-R501 PolarHBondContact N-O 2.9Å; F488-R501 PolarHBondContact O-N 3.27Å; E490-R501 HydrophobicContact CG-CB 3.77Å; E490-R501 IonicContact OE1-CZ 2.69Å; E490-R501 IonicContact OE1-NE 3.92Å; E490-R501 PolarHBondContact OE1-NE 3.07Å; E490-R501 IonicContact OE1-NH2 3.34Å; E490-R501 PolarHBondContact OE1-NH2 3.06Å; R501-Y503 PolarHBondContact O-N 2.71Å; R501-S508 PolarHBondContact NH1-OG 2.84Å; R501-L511 VanDerWaalsContact CD-CD2 3.43Å; R501-Q599 HydrophobicContact CG-CB 4.19Å
502I92.1Very high89.7Confident10 Ų1033.9 Ų33.95%0.05116%0.162CC..EExtended strand (participates in β ladder)trans-76.6124.7-176.2-58.2175.5000109.8L476 L479 S504 S507 I601L476-I502 HydrophobicContact CD1-CD1 4.29Å; L479-I502 HydrophobicContact CD1-CD1 4.36Å; L479-I502 HydrophobicContact CD2-CD1 3.99Å; I502-S504 VanDerWaalsContact C-N 3.28Å; I502-S504 PolarHBondContact O-N 2.89Å; I502-S507 PolarHBondContact O-OG 2.98Å; I502-I601 HydrophobicContact CD1-CD1 3.87Å; I502-I601 HydrophobicContact CG1-CD1 3.9Å
503Y86.2Confident89.4Confident71 Ų7134.6 Ų34.628%0.27817%0.167SC..  trans-84.472.6172.5-176.1-126.7000110.8G486 F488 R501 P631 T1003G486-Y503 PolarHBondContact O-N 3.06Å; F488-Y503 HydrophobicContact CD2-CD2 4.2Å; F488-Y503 HydrophobicContact CD2-CG 4.4Å; F488-Y503 AromaticContact CE2-CD2 3.43Å; F488-Y503 HydrophobicContact CE2-CD2 3.43Å; F488-Y503 VanDerWaalsContact CE2-CD2 3.43Å; F488-Y503 HydrophobicContact CE2-CE2 4.01Å; F488-Y503 AromaticContact CE2-CG 3.9Å; F488-Y503 HydrophobicContact CE2-CG 3.9Å; F488-Y503 HydrophobicContact CZ-CD2 4.15Å; F488-Y503 HydrophobicContact CZ-CE2 4.38Å; R501-Y503 PolarHBondContact O-N 2.71Å; Y503-P631 HydrophobicContact CD1-CB 3.93Å; Y503-P631 HydrophobicContact CE1-CB 4.22Å; Y503-P631 HydrophobicContact CG-CB 4.49Å; Y503-T1003 WeakPolarHBondContact CE1-OG1 3.43Å
504S82.2Confident89.4Confident12 Ų1232 Ų328%0.08415%0.153CC..SBendtrans-128.8169.5171.972.70000111.2I502 D506 S507 S508I502-S504 VanDerWaalsContact C-N 3.28Å; I502-S504 PolarHBondContact O-N 2.89Å; S504-D506 VanDerWaalsContact C-N 3.31Å; S504-S507 WeakPolarHBondContact OG-CB 3.32Å; S504-S507 PolarHBondContact OG-N 3.04Å; S504-S508 PolarHBondContact O-N 3.12Å
505R72.4Confident89.4Confident133 Ų13332 Ų3250%0.50215%0.152SC..Iπ-helixtrans-63.1-41.9173.9-113.6-176.7170.1-123.7-28.6112.4S507 E509 Y998R505-S507 PolarHBondContact O-N 2.89Å; R505-E509 HydrophobicContact CG-CG 4.19Å; R505-E509 WeakPolarHBondContact CG-OE1 3.31Å; R505-E509 IonicContact CZ-OE1 3.89Å; R505-E509 IonicContact CZ-OE2 2.69Å; R505-E509 IonicContact NE-OE1 3.57Å; R505-E509 PolarHBondContact NE-OE1 3.22Å; R505-E509 IonicContact NE-OE2 2.77Å; R505-E509 IonicContact NH2-OE1 2.67Å; R505-E509 PolarHBondContact NH2-OE1 2.89Å; R505-E509 IonicContact NH2-OE2 3.2Å; R505-E509 PolarHBondContact NH2-OE2 2.99Å; R505-Y998 HydrophobicContact CB-CD1 4.34Å
506D77.3Confident89.1Confident98 Ų9832.1 Ų32.152%0.52415%0.152SC..Iπ-helixtrans-85.813.6-171.4-38.6-74.6000112.2S504S504-D506 VanDerWaalsContact C-N 3.31Å
507S85Confident88.9Confident3 Ų335 Ų352%0.02116%0.163CC..Iπ-helixtrans-139.4-68.9177.2174.40000111.5I502 S504 R505 L510 L511 Q599I502-S507 PolarHBondContact O-OG 2.98Å; S504-S507 WeakPolarHBondContact OG-CB 3.32Å; S504-S507 PolarHBondContact OG-N 3.04Å; R505-S507 PolarHBondContact O-N 2.89Å; S507-L510 PolarHBondContact O-N 3.11Å; S507-L511 PolarHBondContact O-N 3.07Å; S507-Q599 PolarHBondContact OG-OE1 3.37Å
508S82.1Confident88.9Confident2 Ų233.7 Ų33.71%0.01416%0.157CC..Iπ-helixtrans-64.7-54.2-175.9-167.80000112.6R501 S504 L510 L511 E512R501-S508 PolarHBondContact NH1-OG 2.84Å; S504-S508 PolarHBondContact O-N 3.12Å; S508-L510 VanDerWaalsContact C-N 3.25Å; S508-L510 PolarHBondContact O-N 3.32Å; S508-L511 PolarHBondContact O-N 2.95Å; S508-L511 VanDerWaalsContact O-N 3.17Å; S508-E512 WeakPolarHBondContact O-CG 3.18Å; S508-E512 PolarHBondContact O-N 3.36Å; S508-E512 PolarHBondContact OG-OE1 3.21Å
509E84.3Confident88.6Confident43 Ų4334.8 Ų34.820%0.20116%0.161CC..Iπ-helixtrans-62.6-34.9-177.9-62.9-164.1-134.900111.1R46 R505 D513R46-E509 IonicContact CZ-OE2 3.02Å; R46-E509 VanDerWaalsContact CZ-OE2 3.29Å; R46-E509 VanDerWaalsContact NH1-CD 3.32Å; R46-E509 IonicContact NH1-OE2 3.09Å; R46-E509 PolarHBondContact NH1-OE2 3.07Å; R46-E509 IonicContact NH2-OE2 3.21Å; R46-E509 PolarHBondContact NH2-OE2 3.28Å; R505-E509 HydrophobicContact CG-CG 4.19Å; R505-E509 WeakPolarHBondContact CG-OE1 3.31Å; R505-E509 IonicContact CZ-OE1 3.89Å; R505-E509 IonicContact CZ-OE2 2.69Å; R505-E509 IonicContact NE-OE1 3.57Å; R505-E509 PolarHBondContact NE-OE1 3.22Å; R505-E509 IonicContact NE-OE2 2.77Å; R505-E509 IonicContact NH2-OE1 2.67Å; R505-E509 PolarHBondContact NH2-OE1 2.89Å; R505-E509 IonicContact NH2-OE2 3.2Å; R505-E509 PolarHBondContact NH2-OE2 2.99Å; E509-D513 WeakPolarHBondContact O-CB 3.35Å; E509-D513 PolarHBondContact O-N 3.43Å
510L90.8Very high88.2Confident86 Ų8642.2 Ų42.245%0.4519%0.189SC..Hα-helixtrans-70.8-34.8176.7-61.1-174.9000113.5S507 S508 M514 L596S507-L510 PolarHBondContact O-N 3.11Å; S508-L510 VanDerWaalsContact C-N 3.25Å; S508-L510 PolarHBondContact O-N 3.32Å; L510-M514 VanDerWaalsContact O-CB 3.23Å; L510-M514 WeakPolarHBondContact O-CB 3.45Å; L510-M514 PolarHBondContact O-N 3.24Å; L510-L596 HydrophobicContact CB-CD1 3.73Å; L510-L596 HydrophobicContact CD1-CD1 4.19Å
511L92.6Very high87.9Confident3 Ų343.4 Ų43.42%0.01620%0.198CC..Hα-helixtrans-66.3-46.2173-178.964.1000110.9R501 S507 S508 M514 M515 D574 F575 L596 Q599R501-L511 VanDerWaalsContact CD-CD2 3.43Å; S507-L511 PolarHBondContact O-N 3.07Å; S508-L511 PolarHBondContact O-N 2.95Å; S508-L511 VanDerWaalsContact O-N 3.17Å; L511-M514 HydrophobicContact CD1-CE 3.75Å; L511-M514 PolarHBondContact O-N 2.86Å; L511-M515 HydrophobicContact CD1-CG 4.33Å; L511-M515 HydrophobicContact CD1-SD 4.24Å; L511-M515 HydrophobicContact CG-SD 4.07Å; L511-M515 WeakPolarHBondContact O-CB 3.15Å; L511-M515 WeakPolarHBondContact O-CG 3.44Å; L511-M515 PolarHBondContact O-N 3.3Å; L511-D574 HydrophobicContact CD1-CB 3.84Å; L511-D574 HydrophobicContact CD2-CB 4.13Å; L511-F575 HydrophobicContact CD2-CZ 4.12Å; L511-L596 HydrophobicContact CB-CD2 4.1Å; L511-L596 HydrophobicContact CD1-CD2 3.98Å; L511-Q599 HydrophobicContact CB-CG 4.25Å; L511-Q599 HydrophobicContact CD1-CG 4.09Å; L511-Q599 HydrophobicContact CD2-CB 4.2Å; L511-Q599 HydrophobicContact CD2-CG 4.18Å; L511-Q599 HydrophobicContact CG-CG 4.4Å
512E89.3Confident87.7Confident56 Ų5642.3 Ų42.326%0.26219%0.194SC..Hα-helixtrans-56.9-52.3175.2-68.5159.4-131.200110.6R46 S508 M514 M515 I516R46-E512 WeakPolarHBondContact CD-OE2 3.21Å; S508-E512 WeakPolarHBondContact O-CG 3.18Å; S508-E512 PolarHBondContact O-N 3.36Å; S508-E512 PolarHBondContact OG-OE1 3.21Å; E512-M514 VanDerWaalsContact C-N 3.34Å; E512-M514 PolarHBondContact O-N 3.41Å; E512-M515 PolarHBondContact O-N 2.93Å; E512-I516 WeakPolarHBondContact O-CD1 3.29Å; E512-I516 VanDerWaalsContact O-CG1 3.22Å; E512-I516 WeakPolarHBondContact O-CG1 3.44Å; E512-I516 PolarHBondContact O-N 3.28Å
513D89.6Confident87.5Confident46 Ų4644.9 Ų44.925%0.24621%0.213CC..Hα-helixtrans-65.3-33.8-178.4-74.6-33.4000112.3R46 R51 E509 E517R46-D513 IonicContact CZ-OD2 2.7Å; R46-D513 IonicContact NE-OD1 3.48Å; R46-D513 IonicContact NH2-OD1 3.29Å; R46-D513 IonicContact NH2-OD2 3.86Å; R46-D513 PolarHBondContact NH2-OD2 2.9Å; R51-D513 PolarHBondContact NH2-O 3.24Å; R51-D513 VanDerWaalsContact NH2-O 3.11Å; E509-D513 WeakPolarHBondContact O-CB 3.35Å; E509-D513 PolarHBondContact O-N 3.43Å; D513-E517 PolarHBondContact O-N 3.18Å
514M94.4Very high87.4Confident15 Ų1545.4 Ų45.47%0.07422%0.22CC..Hα-helixtrans-68.7-45.1172.8-177-161.575.300112.3L510 L511 E512 I516 E517 M518 R556 Y593 L596L510-M514 VanDerWaalsContact O-CB 3.23Å; L510-M514 WeakPolarHBondContact O-CB 3.45Å; L510-M514 PolarHBondContact O-N 3.24Å; L511-M514 HydrophobicContact CD1-CE 3.75Å; L511-M514 PolarHBondContact O-N 2.86Å; E512-M514 VanDerWaalsContact C-N 3.34Å; E512-M514 PolarHBondContact O-N 3.41Å; M514-I516 PolarHBondContact O-N 2.68Å; M514-E517 PolarHBondContact O-N 3.01Å; M514-M518 HydrophobicContact CE-SD 3.92Å; M514-M518 HydrophobicContact CG-SD 4.37Å; M514-M518 WeakPolarHBondContact O-CG 3.33Å; M514-M518 PolarHBondContact O-N 3.01Å; M514-M518 HydrophobicContact SD-SD 4.49Å; M514-R556 HydrophobicContact CE-CG 3.85Å; M514-Y593 HydrophobicContact CG-CD1 3.89Å; M514-Y593 HydrophobicContact CG-CG 4.49Å; M514-L596 HydrophobicContact CE-CD2 4.29Å; M514-L596 HydrophobicContact SD-CB 4.11Å; M514-L596 HydrophobicContact SD-CD2 3.87Å
515M92.9Very high87.5Confident16 Ų1650.2 Ų50.28%0.07924%0.241CC..Hα-helixtrans-62.8-34.3177.6-75.1177.262.700111.6L511 E512 M518 R519 W553 Y555 F575L511-M515 HydrophobicContact CD1-CG 4.33Å; L511-M515 HydrophobicContact CD1-SD 4.24Å; L511-M515 HydrophobicContact CG-SD 4.07Å; L511-M515 WeakPolarHBondContact O-CB 3.15Å; L511-M515 WeakPolarHBondContact O-CG 3.44Å; L511-M515 PolarHBondContact O-N 3.3Å; E512-M515 PolarHBondContact O-N 2.93Å; M515-M518 PolarHBondContact O-N 3.2Å; M515-R519 PolarHBondContact O-N 3.4Å; M515-W553 HydrophobicContact CB-CE3 4Å; M515-W553 HydrophobicContact CB-CZ3 3.74Å; M515-W553 HydrophobicContact CE-CB 4.35Å; M515-W553 HydrophobicContact CE-CD2 4.14Å; M515-W553 HydrophobicContact CE-CE3 4.11Å; M515-W553 HydrophobicContact CE-CG 4.31Å; M515-Y555 HydrophobicContact CE-CD1 4Å; M515-Y555 HydrophobicContact CE-CE1 3.44Å; M515-Y555 VanDerWaalsContact CE-CE1 3.44Å; M515-Y555 HydrophobicContact CE-CE2 4.49Å; M515-F575 HydrophobicContact CE-CZ 4.21Å; M515-F575 HydrophobicContact SD-CE2 4.14Å; M515-F575 HydrophobicContact SD-CZ 3.8Å
516I89.6Confident88.2Confident2 Ų250.2 Ų50.21%0.0125%0.251CS..Hα-helixtrans-66.8-41.4174.9-66.4166.1000110.8R46 R51 E512 M514 R519 R520 W553R46-I516 HydrophobicContact CG-CD1 4.22Å; R51-I516 HydrophobicContact CG-CG2 3.47Å; R51-I516 VanDerWaalsContact CG-CG2 3.47Å; E512-I516 WeakPolarHBondContact O-CD1 3.29Å; E512-I516 VanDerWaalsContact O-CG1 3.22Å; E512-I516 WeakPolarHBondContact O-CG1 3.44Å; E512-I516 PolarHBondContact O-N 3.28Å; M514-I516 PolarHBondContact O-N 2.68Å; I516-R519 PolarHBondContact O-N 3.32Å; I516-R520 PolarHBondContact O-N 2.94Å; I516-W553 HydrophobicContact CD1-CH2 4.5Å; I516-W553 HydrophobicContact CG1-CH2 3.67Å; I516-W553 HydrophobicContact CG1-CZ3 3.73Å
517E91.4Very high88.6Confident80 Ų8046.6 Ų46.637%0.37423%0.232SC..Hα-helixtrans-65.1-44.1173.3-75.6178.7-172.500112.7R51 D513 M514 R519 R520 C521 Y593R51-E517 IonicContact CZ-OE1 3.76Å; R51-E517 IonicContact NH1-OE1 2.75Å; R51-E517 PolarHBondContact NH1-OE1 3.39Å; R51-E517 VanDerWaalsContact NH2-CG 3.31Å; R51-E517 IonicContact NH2-OE1 2.8Å; R51-E517 PolarHBondContact NH2-OE1 2.88Å; D513-E517 PolarHBondContact O-N 3.18Å; M514-E517 PolarHBondContact O-N 3.01Å; E517-R519 VanDerWaalsContact C-N 3.3Å; E517-R519 PolarHBondContact O-N 2.85Å; E517-R520 PolarHBondContact O-N 3.02Å; E517-C521 WeakPolarHBondContact O-CB 3.37Å; E517-C521 PolarHBondContact O-N 3.4Å; E517-Y593 HydrophobicContact CB-CE1 3.8Å; E517-Y593 PolarHBondContact O-OH 2.82Å
518M93.8Very high88.8Confident0 Ų046.8 Ų46.80%023%0.233CC..Hα-helixtrans-57.7-45174.9-73.6-178.860.900110.5M514 M515 C521 Y522 C545 W554 R556 L589 Y593M514-M518 HydrophobicContact CE-SD 3.92Å; M514-M518 HydrophobicContact CG-SD 4.37Å; M514-M518 WeakPolarHBondContact O-CG 3.33Å; M514-M518 PolarHBondContact O-N 3.01Å; M514-M518 HydrophobicContact SD-SD 4.49Å; M515-M518 PolarHBondContact O-N 3.2Å; M518-C521 PolarHBondContact O-N 2.84Å; M518-Y522 HydrophobicContact CB-CD2 4.16Å; M518-Y522 HydrophobicContact CB-CE2 4.35Å; M518-Y522 HydrophobicContact CE-CE2 4.29Å; M518-Y522 HydrophobicContact CG-CE2 4.27Å; M518-Y522 WeakPolarHBondContact O-CB 3.48Å; M518-Y522 WeakPolarHBondContact O-CD2 3.48Å; M518-Y522 PolarHBondContact O-N 3.12Å; M518-C545 HydrophobicContact CE-CB 3.45Å; M518-C545 VanDerWaalsContact CE-CB 3.45Å; M518-W554 HydrophobicContact CB-CB 3.94Å; M518-W554 HydrophobicContact CE-CB 4.32Å; M518-R556 HydrophobicContact CE-CG 3.98Å; M518-R556 HydrophobicContact SD-CG 3.78Å; M518-L589 HydrophobicContact CE-CD1 3.66Å; M518-L589 HydrophobicContact SD-CD1 4.13Å; M518-Y593 HydrophobicContact CG-CD1 3.93Å; M518-Y593 HydrophobicContact CG-CD2 3.58Å; M518-Y593 HydrophobicContact CG-CE1 3.96Å; M518-Y593 HydrophobicContact CG-CE2 3.6Å; M518-Y593 HydrophobicContact CG-CG 3.75Å; M518-Y593 HydrophobicContact SD-CD2 4.23Å; M518-Y593 HydrophobicContact SD-CG 4.16Å
519R90.3Very high89.2Confident23 Ų2350.2 Ų50.29%0.08725%0.251CS..Hα-helixtrans-60-54.2174.1-175.7-168.6-84172.8-5.9111.9L48 G49 M515 I516 E517 C521 S523 D551 K552 W553L48-R519 PolarHBondContact O-NH1 2.73Å; G49-R519 VanDerWaalsContact CA-NH1 3.31Å; G49-R519 PolarHBondContact O-NH1 2.74Å; G49-R519 VanDerWaalsContact O-NH1 3.1Å; M515-R519 PolarHBondContact O-N 3.4Å; I516-R519 PolarHBondContact O-N 3.32Å; E517-R519 VanDerWaalsContact C-N 3.3Å; E517-R519 PolarHBondContact O-N 2.85Å; R519-C521 PolarHBondContact O-N 3.43Å; R519-S523 WeakPolarHBondContact CG-OG 3.48Å; R519-S523 WeakPolarHBondContact O-CB 3.18Å; R519-S523 PolarHBondContact O-N 3.34Å; R519-S523 PolarHBondContact O-OG 3.25Å; R519-D551 PolarHBondContact NH2-O 3.25Å; R519-K552 PolarHBondContact NE-O 3.37Å; R519-W553 HydrophobicContact CB-CE3 4.48Å
520R86.3Confident89.5Confident162 Ų16255.6 Ų55.661%0.61127%0.27SS*.Hα-helixtrans-59.1-33.7-178.8-177.4171.9171.2171.6-3.1112.4I516 E517I516-R520 PolarHBondContact O-N 2.94Å; E517-R520 PolarHBondContact O-N 3.02Å
521C89.5Confident89.7Confident26 Ų2652.1 Ų52.118%0.17625%0.251CS..Hα-helixtrans-73.4-60.5177.2-162.90000112.1E517 M518 R519 S523 V527 K590 Y593E517-C521 WeakPolarHBondContact O-CB 3.37Å; E517-C521 PolarHBondContact O-N 3.4Å; M518-C521 PolarHBondContact O-N 2.84Å; R519-C521 PolarHBondContact O-N 3.43Å; C521-S523 PolarHBondContact O-N 2.91Å; C521-V527 VanDerWaalsContact O-CB 3.31Å; C521-V527 WeakPolarHBondContact O-CB 3.24Å; C521-V527 WeakPolarHBondContact O-CG1 3.35Å; C521-K590 VanDerWaalsContact SG-CE 3.54Å; C521-Y593 WeakPolarHBondContact CB-OH 3.48Å
522Y90.6Very high89.7Confident1 Ų155.8 Ų55.80%0.00427%0.27CS..Hα-helixtrans-83.3-10.1-169.3-64.6-70.6000115.1M518 N524 S528 Y531 C545 W554 R587 F588 L589 K590 Y593M518-Y522 HydrophobicContact CB-CD2 4.16Å; M518-Y522 HydrophobicContact CB-CE2 4.35Å; M518-Y522 HydrophobicContact CE-CE2 4.29Å; M518-Y522 HydrophobicContact CG-CE2 4.27Å; M518-Y522 WeakPolarHBondContact O-CB 3.48Å; M518-Y522 WeakPolarHBondContact O-CD2 3.48Å; M518-Y522 PolarHBondContact O-N 3.12Å; Y522-N524 VanDerWaalsContact C-N 3.33Å; Y522-S528 WeakPolarHBondContact O-CB 3.44Å; Y522-S528 PolarHBondContact O-OG 3.32Å; Y522-Y531 HydrophobicContact CE1-CD1 4.3Å; Y522-Y531 HydrophobicContact CE1-CD2 4.17Å; Y522-Y531 AromaticContact CE1-CG 3.87Å; Y522-Y531 HydrophobicContact CE1-CG 3.87Å; Y522-C545 VanDerWaalsContact CE2-SG 3.58Å; Y522-W554 HydrophobicContact CD2-CD2 4.25Å; Y522-W554 HydrophobicContact CD2-CE3 4.24Å; Y522-W554 HydrophobicContact CD2-CG 4.46Å; Y522-W554 HydrophobicContact CG-CD2 4.16Å; Y522-W554 HydrophobicContact CG-CE3 4.14Å; Y522-W554 HydrophobicContact CG-CZ3 4.37Å; Y522-W554 WeakPolarHBondContact O-CZ2 3.22Å; Y522-R587 HydrophobicContact CE1-CB 4.48Å; Y522-F588 PolarHBondContact OH-O 3.16Å; Y522-L589 VanDerWaalsContact OH-CA 3.3Å; Y522-L589 WeakPolarHBondContact OH-CA 3.45Å; Y522-K590 HydrophobicContact CE1-CD 4.32Å; Y522-K590 WeakPolarHBondContact OH-CG 3.33Å; Y522-K590 PolarHBondContact OH-N 3.21Å; Y522-Y593 HydrophobicContact CE2-CD2 4.17Å; Y522-Y593 AromaticContact CE2-CE2 3.76Å; Y522-Y593 HydrophobicContact CE2-CE2 3.76Å
523S86.3Confident89.8Confident65 Ų6553.7 Ų53.746%0.45526%0.26SS..THydrogen-bonded Turntrans-82.2-12.8174.1-49.10000112.8R519 C521 Q525 W554R519-S523 WeakPolarHBondContact CG-OG 3.48Å; R519-S523 WeakPolarHBondContact O-CB 3.18Å; R519-S523 PolarHBondContact O-N 3.34Å; R519-S523 PolarHBondContact O-OG 3.25Å; C521-S523 PolarHBondContact O-N 2.91Å; S523-Q525 PolarHBondContact O-N 2.86Å; S523-W554 PolarHBondContact OG-NE1 3.03Å
524N83.9Confident89.8Confident82 Ų8252.9 Ų52.944%0.43926%0.257SS..SBendtrans-74.6117164-177.9-45.5000108.6Y522 L526 V527 S528Y522-N524 VanDerWaalsContact C-N 3.33Å; N524-L526 VanDerWaalsContact C-N 3.31Å; N524-L526 PolarHBondContact O-N 3.04Å; N524-L526 WeakPolarHBondContact OD1-CB 3.37Å; N524-L526 PolarHBondContact OD1-N 3.46Å; N524-V527 HydrophobicContact CB-CB 4.22Å; N524-V527 HydrophobicContact CB-CG2 3.92Å; N524-V527 CarbonylContact O-C 3.58Å; N524-V527 WeakPolarHBondContact O-CA 3.14Å; N524-V527 WeakPolarHBondContact O-CB 3.47Å; N524-V527 PolarHBondContact O-N 2.97Å; N524-V527 PolarHBondContact OD1-N 2.91Å; N524-S528 PolarHBondContact O-N 2.94Å
525Q85.2Confident89.6Confident113 Ų11357.2 Ų57.253%0.52828%0.277SS..Hα-helixtrans-56.2-41.9-176.2-167.6643400112.9S523 V527 S528 D529S523-Q525 PolarHBondContact O-N 2.86Å; Q525-V527 PolarHBondContact O-N 2.7Å; Q525-S528 PolarHBondContact O-N 3.37Å; Q525-D529 WeakPolarHBondContact CG-OD2 3.43Å; Q525-D529 PolarHBondContact NE2-OD1 2.91Å; Q525-D529 PolarHBondContact NE2-OD2 2.75Å; Q525-D529 PolarHBondContact O-N 3.19Å
526L86.2Confident89.3Confident133 Ų13362 Ų6270%0.69630%0.295SS*.Hα-helixtrans-69.2-15.5178.2-58.6176.5000113.4N524 R530N524-L526 VanDerWaalsContact C-N 3.31Å; N524-L526 PolarHBondContact O-N 3.04Å; N524-L526 WeakPolarHBondContact OD1-CB 3.37Å; N524-L526 PolarHBondContact OD1-N 3.46Å; L526-R530 PolarHBondContact O-NE 2.93Å; L526-R530 PolarHBondContact O-NH2 2.79Å; L526-R530 VanDerWaalsContact O-NH2 3.15Å
527V87.6Confident89.3Confident22 Ų2264.4 Ų64.413%0.13331%0.306CS..Hα-helixtrans-86.6-56.1165.2-1790000108.4C521 N524 Q525 D529 R530 Y531C521-V527 VanDerWaalsContact O-CB 3.31Å; C521-V527 WeakPolarHBondContact O-CB 3.24Å; C521-V527 WeakPolarHBondContact O-CG1 3.35Å; N524-V527 HydrophobicContact CB-CB 4.22Å; N524-V527 HydrophobicContact CB-CG2 3.92Å; N524-V527 CarbonylContact O-C 3.58Å; N524-V527 WeakPolarHBondContact O-CA 3.14Å; N524-V527 WeakPolarHBondContact O-CB 3.47Å; N524-V527 PolarHBondContact O-N 2.97Å; N524-V527 PolarHBondContact OD1-N 2.91Å; Q525-V527 PolarHBondContact O-N 2.7Å; V527-D529 PolarHBondContact O-N 2.66Å; V527-D529 VanDerWaalsContact O-N 3.11Å; V527-R530 WeakPolarHBondContact O-CB 3.41Å; V527-R530 PolarHBondContact O-N 3.19Å; V527-Y531 HydrophobicContact CG1-CD2 3.92Å; V527-Y531 HydrophobicContact CG1-CE2 3.8Å; V527-Y531 WeakPolarHBondContact O-CD2 3.37Å; V527-Y531 PolarHBondContact O-N 3.19Å
528S89.3Confident89.4Confident7 Ų760.7 Ų60.75%0.04929%0.289CS..Hα-helixtrans-47.8-44-176.3-139.80000113.4Y522 N524 Q525 R530 Y531 I532 R587Y522-S528 WeakPolarHBondContact O-CB 3.44Å; Y522-S528 PolarHBondContact O-OG 3.32Å; N524-S528 PolarHBondContact O-N 2.94Å; Q525-S528 PolarHBondContact O-N 3.37Å; S528-R530 PolarHBondContact O-N 2.82Å; S528-Y531 PolarHBondContact O-N 2.97Å; S528-I532 PolarHBondContact O-N 3.28Å; S528-R587 WeakPolarHBondContact O-CD 3.23Å; S528-R587 PolarHBondContact O-NE 3.1Å
529D89.3Confident89.2Confident73 Ų7364.7 Ų64.739%0.3931%0.307SS..G310 helixtrans-71.6-28.5-177.2-66.9-25.5000113.2Q525 V527 Y531 I532Q525-D529 WeakPolarHBondContact CG-OD2 3.43Å; Q525-D529 PolarHBondContact NE2-OD1 2.91Å; Q525-D529 PolarHBondContact NE2-OD2 2.75Å; Q525-D529 PolarHBondContact O-N 3.19Å; V527-D529 PolarHBondContact O-N 2.66Å; V527-D529 VanDerWaalsContact O-N 3.11Å; D529-Y531 VanDerWaalsContact C-N 3.3Å; D529-Y531 PolarHBondContact O-N 3.17Å; D529-I532 HydrophobicContact CB-CD1 4.17Å; D529-I532 WeakPolarHBondContact O-CD1 3.48Å; D529-I532 WeakPolarHBondContact O-CG1 3.37Å; D529-I532 PolarHBondContact O-N 3.44Å
530R90.8Very high89.3Confident157 Ų15767 Ų6759%0.59233%0.325SS*.G310 helixtrans-72.7-20.3173.4-76-176.5-72.8158.8-3.5113.7P464 L526 V527 S528P464-R530 WeakPolarHBondContact CG-O 3.29Å; L526-R530 PolarHBondContact O-NE 2.93Å; L526-R530 PolarHBondContact O-NH2 2.79Å; L526-R530 VanDerWaalsContact O-NH2 3.15Å; V527-R530 WeakPolarHBondContact O-CB 3.41Å; V527-R530 PolarHBondContact O-N 3.19Å; S528-R530 PolarHBondContact O-N 2.82Å
531Y94.3Very high89.5Confident12 Ų1259.8 Ų59.85%0.04730%0.301CS..G310 helixtrans-102.915.2176.1-65.1-95.1000112.2P464 D466 Y522 V527 S528 D529 M533 R587 F588 K590P464-Y531 HydrophobicContact CB-CD1 4.01Å; P464-Y531 HydrophobicContact CB-CE1 3.43Å; P464-Y531 VanDerWaalsContact CB-CE1 3.43Å; P464-Y531 HydrophobicContact CG-CD1 3.68Å; P464-Y531 HydrophobicContact CG-CE1 3.64Å; P464-Y531 HydrophobicContact CG-CG 4.13Å; D466-Y531 VanDerWaalsContact CG-OH 3.24Å; D466-Y531 WeakPolarHBondContact OD1-CE1 2.98Å; D466-Y531 PolarHBondContact OD1-OH 3.17Å; D466-Y531 PolarHBondContact OD2-OH 3.35Å; D466-Y531 VanDerWaalsContact OD2-OH 3.12Å; Y522-Y531 HydrophobicContact CE1-CD1 4.3Å; Y522-Y531 HydrophobicContact CE1-CD2 4.17Å; Y522-Y531 AromaticContact CE1-CG 3.87Å; Y522-Y531 HydrophobicContact CE1-CG 3.87Å; V527-Y531 HydrophobicContact CG1-CD2 3.92Å; V527-Y531 HydrophobicContact CG1-CE2 3.8Å; V527-Y531 WeakPolarHBondContact O-CD2 3.37Å; V527-Y531 PolarHBondContact O-N 3.19Å; S528-Y531 PolarHBondContact O-N 2.97Å; D529-Y531 VanDerWaalsContact C-N 3.3Å; D529-Y531 PolarHBondContact O-N 3.17Å; Y531-M533 PolarHBondContact O-N 3.36Å; Y531-R587 VanDerWaalsContact C-CD 3.44Å; Y531-R587 CarbonylContact O-C 3.42Å; Y531-R587 WeakPolarHBondContact O-CA 3.45Å; Y531-R587 WeakPolarHBondContact O-CB 3.26Å; Y531-R587 WeakPolarHBondContact O-CD 3.19Å; Y531-F588 HydrophobicContact CD1-CB 4Å; Y531-F588 WeakPolarHBondContact CD1-O 3.32Å; Y531-F588 PolarHBondContact O-N 3.27Å; Y531-K590 HydrophobicContact CD1-CG 4.07Å; Y531-K590 HydrophobicContact CE1-CD 4.1Å; Y531-K590 HydrophobicContact CE1-CG 3.43Å; Y531-K590 VanDerWaalsContact CE1-CG 3.43Å; Y531-K590 HydrophobicContact CE2-CD 4.36Å; Y531-K590 PolarHBondContact OH-NZ 2.71Å
532I92.4Very high89.6Confident81 Ų8159.9 Ų59.942%0.41530%0.299SS..BIsolated β-bridgetrans-55.1127172.4-73.9168000109.2S528 D529 P534S528-I532 PolarHBondContact O-N 3.28Å; D529-I532 HydrophobicContact CB-CD1 4.17Å; D529-I532 WeakPolarHBondContact O-CD1 3.48Å; D529-I532 WeakPolarHBondContact O-CG1 3.37Å; D529-I532 PolarHBondContact O-N 3.44Å; I532-P534 VanDerWaalsContact O-CD 3.32Å; I532-P534 WeakPolarHBondContact O-CD 3.48Å
533M91.9Very high89.7Confident11 Ų1160.1 Ų60.15%0.05430%0.3CS..  trans-85.9115.5179.3-163.4172.9-160.200109.4Y531 F537 I538 H542 C544 I559 L586 F588Y531-M533 PolarHBondContact O-N 3.36Å; M533-F537 HydrophobicContact CE-CB 4.07Å; M533-F537 HydrophobicContact CG-CB 3.97Å; M533-I538 HydrophobicContact CG-CG1 4.25Å; M533-I538 HydrophobicContact SD-CG1 4.39Å; M533-H542 HydrophobicContact CE-CB 3.95Å; M533-C544 HydrophobicContact CE-CB 4.17Å; M533-C544 HydrophobicContact SD-CB 3.79Å; M533-I559 HydrophobicContact CE-CD1 4.42Å; M533-I559 HydrophobicContact SD-CD1 4.42Å; M533-L586 HydrophobicContact CB-CB 4.3Å; M533-L586 HydrophobicContact SD-CB 4.37Å; M533-L586 HydrophobicContact SD-CD1 4.37Å; M533-F588 HydrophobicContact CE-CD1 4.38Å; M533-F588 HydrophobicContact CE-CE1 4.26Å; M533-F588 HydrophobicContact CG-CD1 4.33Å; M533-F588 HydrophobicContact CG-CE1 4.13Å; M533-F588 HydrophobicContact CG-CZ 4.3Å
534P90.4Very high90.1Very high29 Ų2957 Ų5719%0.18828%0.279CS..  trans-64.1147.5179.1-22.834.2000112.2I532 Y536 F537 I538I532-P534 VanDerWaalsContact O-CD 3.32Å; I532-P534 WeakPolarHBondContact O-CD 3.48Å; P534-Y536 HydrophobicContact CB-CD1 3.67Å; P534-Y536 HydrophobicContact CB-CE1 3.32Å; P534-Y536 HydrophobicContact CB-CG 4.46Å; P534-Y536 HydrophobicContact CG-CE1 4.05Å; P534-Y536 PolarHBondContact O-N 3.46Å; P534-F537 HydrophobicContact CB-CD2 4.31Å; P534-F537 HydrophobicContact CG-CD2 4.11Å; P534-F537 WeakPolarHBondContact O-CA 3.22Å; P534-F537 WeakPolarHBondContact O-CB 3.38Å; P534-F537 PolarHBondContact O-N 2.8Å; P534-I538 PolarHBondContact O-N 3.07Å
535E88.9Confident90.7Very high106 Ų10653.1 Ų53.150%0.49526%0.258SS..G310 helixtrans-50.7-36.6-176.9-177.266.5-157.600113.5F537 I538 K583E535-F537 VanDerWaalsContact C-N 3.3Å; E535-F537 PolarHBondContact O-N 2.85Å; E535-I538 WeakPolarHBondContact O-CB 3.4Å; E535-I538 PolarHBondContact O-N 3.08Å; E535-I538 VanDerWaalsContact O-N 3.1Å; E535-K583 WeakPolarHBondContact OE1-CD 3.17Å; E535-K583 IonicContact OE1-NZ 3.89Å; E535-K583 PolarHBondContact OE1-NZ 3.28Å; E535-K583 VanDerWaalsContact OE2-CD 3.23Å; E535-K583 WeakPolarHBondContact OE2-CD 3.01Å; E535-K583 IonicContact OE2-NZ 2.71Å
536Y88.3Confident91.2Very high117 Ų11747.8 Ų47.846%0.45923%0.233SC..G310 helixtrans-69-25.3179.362.7-91000113.7P534 Q539P534-Y536 HydrophobicContact CB-CD1 3.67Å; P534-Y536 HydrophobicContact CB-CE1 3.32Å; P534-Y536 HydrophobicContact CB-CG 4.46Å; P534-Y536 HydrophobicContact CG-CE1 4.05Å; P534-Y536 PolarHBondContact O-N 3.46Å; Y536-Q539 WeakPolarHBondContact O-CG 3.37Å; Y536-Q539 PolarHBondContact O-NE2 2.87Å
537F89.5Confident91.4Very high52 Ų5245.9 Ų45.923%0.22822%0.217CC..G310 helixtrans-79.4-14.4171.2-83.2-71.4000113.6I463 M533 P534 E535 Q539 H542 F588I463-F537 HydrophobicContact CD1-CE1 4.34Å; I463-F537 HydrophobicContact CD1-CE2 3.94Å; I463-F537 HydrophobicContact CD1-CZ 3.46Å; I463-F537 VanDerWaalsContact CD1-CZ 3.46Å; I463-F537 HydrophobicContact CG1-CE2 3.98Å; I463-F537 HydrophobicContact CG1-CZ 4.03Å; M533-F537 HydrophobicContact CE-CB 4.07Å; M533-F537 HydrophobicContact CG-CB 3.97Å; P534-F537 HydrophobicContact CB-CD2 4.31Å; P534-F537 HydrophobicContact CG-CD2 4.11Å; P534-F537 WeakPolarHBondContact O-CA 3.22Å; P534-F537 WeakPolarHBondContact O-CB 3.38Å; P534-F537 PolarHBondContact O-N 2.8Å; E535-F537 VanDerWaalsContact C-N 3.3Å; E535-F537 PolarHBondContact O-N 2.85Å; F537-Q539 VanDerWaalsContact C-N 3.29Å; F537-Q539 PolarHBondContact O-N 3.15Å; F537-H542 PolarHBondContact O-ND1 2.91Å; F537-F588 HydrophobicContact CB-CE1 4.44Å; F537-F588 HydrophobicContact CB-CZ 4.4Å; F537-F588 HydrophobicContact CD1-CE1 4.38Å; F537-F588 HydrophobicContact CD2-CE1 4.36Å; F537-F588 AromaticContact CD2-CZ 3.75Å; F537-F588 HydrophobicContact CD2-CZ 3.75Å; F537-F588 HydrophobicContact CE2-CZ 4.12Å; F537-F588 HydrophobicContact CG-CE1 4.15Å; F537-F588 AromaticContact CG-CZ 3.98Å; F537-F588 HydrophobicContact CG-CZ 3.98Å
538I92.3Very high91.2Very high3 Ų346.8 Ų46.82%0.01522%0.22CC..  trans-78.680.9-178.9-56.6-178.7000109.3M533 P534 E535 I559 I562 V568 K583 L586M533-I538 HydrophobicContact CG-CG1 4.25Å; M533-I538 HydrophobicContact SD-CG1 4.39Å; P534-I538 PolarHBondContact O-N 3.07Å; E535-I538 WeakPolarHBondContact O-CB 3.4Å; E535-I538 PolarHBondContact O-N 3.08Å; E535-I538 VanDerWaalsContact O-N 3.1Å; I538-I559 HydrophobicContact CB-CD1 4.27Å; I538-I559 HydrophobicContact CG2-CD1 3.84Å; I538-I562 WeakPolarHBondContact O-CD1 3.43Å; I538-V568 HydrophobicContact CG2-CB 4.49Å; I538-V568 HydrophobicContact CG2-CG2 4.21Å; I538-K583 HydrophobicContact CD1-CB 3.65Å; I538-K583 HydrophobicContact CD1-CD 4.13Å; I538-K583 HydrophobicContact CD1-CG 3.98Å; I538-K583 HydrophobicContact CG2-CD 4.15Å; I538-K583 HydrophobicContact CG2-CG 4.09Å; I538-L586 HydrophobicContact CD1-CD1 4.23Å; I538-L586 HydrophobicContact CG1-CD1 4.25Å; I538-L586 HydrophobicContact CG2-CD1 4.04Å
539Q90.6Very high90.4Very high83 Ų8350 Ų5039%0.38824%0.242SC..  trans-130.8148.9-176.4-53.6-60.1-24.700111.1Y536 F537 G541 H542 I559Y536-Q539 WeakPolarHBondContact O-CG 3.37Å; Y536-Q539 PolarHBondContact O-NE2 2.87Å; F537-Q539 VanDerWaalsContact C-N 3.29Å; F537-Q539 PolarHBondContact O-N 3.15Å; Q539-G541 PolarHBondContact O-N 2.83Å; Q539-H542 PolarHBondContact O-N 2.78Å; Q539-I559 WeakPolarHBondContact O-CB 3.43Å; Q539-I559 WeakPolarHBondContact O-CG2 3.22Å
540P91.9Very high89.4Confident71 Ų7152.9 Ų52.946%0.46125%0.254SS..THydrogen-bonded Turntrans-49.4134.7175.1-29.537000113.9I559P540-I559 CarbonylContact C-O 3.15Å; P540-I559 WeakPolarHBondContact CA-O 3.35Å
541G90.1Very high88.4Confident11 Ų1146.8 Ų46.811%0.11323%0.233CC..THydrogen-bonded Turntrans85.2-1.6179.400000116.1Q539 I559Q539-G541 PolarHBondContact O-N 2.83Å; G541-I559 PolarHBondContact N-O 2.79Å
542H91.3Very high87.6Confident29 Ų2950.2 Ų50.213%0.13425%0.248CC..  trans-78131.6170.9-68.7145.6000112K471 M533 F537 Q539 I558 I559K471-H542 VanDerWaalsContact CE-NE2 3.27Å; K471-H542 WeakPolarHBondContact CE-NE2 3.5Å; K471-H542 PolarHBondContact NZ-NE2 2.57Å; M533-H542 HydrophobicContact CE-CB 3.95Å; F537-H542 PolarHBondContact O-ND1 2.91Å; Q539-H542 PolarHBondContact O-N 2.78Å; H542-I558 WeakPolarHBondContact O-CA 3.37Å; H542-I559 HydrophobicContact CB-CD1 4.33Å; H542-I559 PolarHBondContact O-N 2.88Å
543L94.1Very high87.3Confident5 Ų547.5 Ų47.53%0.02623%0.233CC..EExtended strand (participates in β ladder)trans-83.9124.6173.6177.163000109.6V468 L473 I558 L589 T594V468-L543 HydrophobicContact CG1-CB 4.49Å; V468-L543 HydrophobicContact CG1-CD2 4.27Å; L473-L543 HydrophobicContact CB-CD2 4.12Å; L473-L543 HydrophobicContact CD1-CD2 4.22Å; L543-I558 HydrophobicContact CD1-CD1 4.34Å; L543-I558 HydrophobicContact CD1-CG1 3.73Å; L543-L589 HydrophobicContact CD1-CD2 4.13Å; L543-L589 HydrophobicContact CD2-CD2 3.88Å; L543-L589 HydrophobicContact CG-CD2 3.78Å; L543-T594 HydrophobicContact CD2-CG2 3.8Å
544C94.6Very high87.4Confident0 Ų047.2 Ų47.20%023%0.231CC..EExtended strand (participates in β ladder)trans-143.8-174.1-175.252.10000109.9M533 V557 R587M533-C544 HydrophobicContact CE-CB 4.17Å; M533-C544 HydrophobicContact SD-CB 3.79Å; C544-V557 PolarHBondContact N-O 2.82Å; C544-V557 PolarHBondContact O-N 2.88Å; C544-V557 VanDerWaalsContact O-O 3.05Å; C544-V557 PolarHBondContact SG-O 3.12Å; C544-R587 VanDerWaalsContact CB-O 3.27Å; C544-R587 WeakPolarHBondContact CB-O 3.23Å
545C95.7Very high87.6Confident0 Ų047.2 Ų47.20%023%0.228CC..EExtended strand (participates in β ladder)trans-127.1158.816756.70000112.2M518 Y522 W554 Y555 R587 L589M518-C545 HydrophobicContact CE-CB 3.45Å; M518-C545 VanDerWaalsContact CE-CB 3.45Å; Y522-C545 VanDerWaalsContact CE2-SG 3.58Å; C545-W554 HydrophobicContact CB-CE3 4.41Å; C545-Y555 CarbonylContact C-O 3.58Å; C545-Y555 WeakPolarHBondContact CA-O 3.47Å; C545-Y555 WeakPolarHBondContact CB-O 3.25Å; C545-R587 PolarHBondContact N-O 2.88Å; C545-R587 PolarHBondContact O-N 2.89Å; C545-L589 HydrophobicContact CB-CD1 3.91Å
546V95.3Very high87.9Confident1 Ų142.3 Ų42.31%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-139.5146.5178.271.30000110.2W554 Y555 V557 Y572 V581 S585 L586V546-W554 VanDerWaalsContact C-CE3 3.5Å; V546-W554 WeakPolarHBondContact O-CA 3.31Å; V546-Y555 PolarHBondContact N-O 3.22Å; V546-Y555 PolarHBondContact O-N 2.9Å; V546-V557 HydrophobicContact CB-CG2 3.87Å; V546-V557 HydrophobicContact CG1-CB 4.38Å; V546-V557 HydrophobicContact CG1-CG1 3.73Å; V546-V557 HydrophobicContact CG1-CG2 3.72Å; V546-Y572 HydrophobicContact CG1-CE1 4.32Å; V546-V581 HydrophobicContact CG2-CB 4.18Å; V546-V581 HydrophobicContact CG2-CG1 4.09Å; V546-V581 HydrophobicContact CG2-CG2 4.36Å; V546-S585 VanDerWaalsContact CG2-OG 3.26Å; V546-S585 WeakPolarHBondContact CG2-OG 3.37Å; V546-L586 HydrophobicContact CB-CD2 4.08Å; V546-L586 HydrophobicContact CG2-CD2 4.18Å
547R91.4Very high88.3Confident94 Ų9436.8 Ų36.836%0.35518%0.183SC..EExtended strand (participates in β ladder)trans-92.4122.3170-161.7-178.163.174.15.7110S549 W553 W554R547-S549 PolarHBondContact NH2-OG 2.97Å; R547-W553 WeakPolarHBondContact CA-O 3.41Å; R547-W554 HydrophobicContact CB-CD2 3.77Å; R547-W554 HydrophobicContact CB-CE3 3.98Å; R547-W554 HydrophobicContact CB-CG 4.43Å; R547-W554 HydrophobicContact CB-CH2 3.83Å; R547-W554 HydrophobicContact CB-CZ2 3.63Å; R547-W554 HydrophobicContact CB-CZ3 3.99Å; R547-W554 HydrophobicContact CG-CD2 4.08Å; R547-W554 HydrophobicContact CG-CG 4.34Å; R547-W554 HydrophobicContact CG-CZ2 3.98Å
548I81.9Confident88.5Confident40 Ų4034.3 Ų34.321%0.20517%0.172CC..  trans-78.8139.7165.6-65.1-174000107.5E550 D551 W553 Y555 Y572I548-E550 HydrophobicContact CG2-CB 4.28Å; I548-E550 WeakPolarHBondContact CG2-OE2 3.35Å; I548-D551 WeakPolarHBondContact CB-OD1 3.27Å; I548-D551 WeakPolarHBondContact CG2-OD2 3.36Å; I548-W553 PolarHBondContact N-O 3.28Å; I548-Y555 HydrophobicContact CB-CD2 4.24Å; I548-Y555 HydrophobicContact CB-CE2 3.94Å; I548-Y555 HydrophobicContact CD1-CD2 3.64Å; I548-Y555 HydrophobicContact CD1-CE2 3.51Å; I548-Y555 HydrophobicContact CD1-CG 4.34Å; I548-Y555 HydrophobicContact CG1-CD2 3.67Å; I548-Y555 HydrophobicContact CG1-CE2 3.74Å; I548-Y572 HydrophobicContact CD1-CE1 4.07Å
549S72.7Confident88.6Confident74 Ų7434.2 Ų34.252%0.51717%0.171SC..SBendtrans-90.2-24.1-169.8-72.10000113.3R547 D551R547-S549 PolarHBondContact NH2-OG 2.97Å; S549-D551 VanDerWaalsContact C-N 3.34Å
550E69.4Low88.8Confident134 Ų13431.2 Ų31.263%0.62616%0.157SC*.SBendtrans-79-13.9-174.5-63.374.3-170.900113.5S2 I548S2-E550 WeakPolarHBondContact CB-O 3.28Å; S2-E550 PolarHBondContact OG-O 3.15Å; I548-E550 HydrophobicContact CG2-CB 4.28Å; I548-E550 WeakPolarHBondContact CG2-OE2 3.35Å
551D69.8Low88.8Confident30 Ų3034.2 Ų34.216%0.1616%0.16CC..SBendtrans-141.4-1.5-171.163.817000115Q4 R519 I548 S549 W553 Y555Q4-D551 HydrophobicContact CB-CB 4.47Å; Q4-D551 HydrophobicContact CG-CB 4.44Å; R519-D551 PolarHBondContact NH2-O 3.25Å; I548-D551 WeakPolarHBondContact CB-OD1 3.27Å; I548-D551 WeakPolarHBondContact CG2-OD2 3.36Å; S549-D551 VanDerWaalsContact C-N 3.34Å; D551-W553 PolarHBondContact O-N 3.49Å; D551-W553 VanDerWaalsContact O-N 3.15Å; D551-W553 PolarHBondContact OD1-N 3.11Å; D551-Y555 PolarHBondContact OD2-OH 3.43Å
552K77.5Confident89Confident83 Ų8337.1 Ų37.136%0.36117%0.172SC..  trans56.514.1-173.7-52179.2179.9179.70115.2D59 R519D59-K552 IonicContact OD1-NZ 3.17Å; D59-K552 PolarHBondContact OD1-NZ 2.96Å; D59-K552 IonicContact OD2-NZ 2.66Å; D59-K552 PolarHBondContact OD2-NZ 2.91Å; R519-K552 PolarHBondContact NE-O 3.37Å
553W85.9Confident88.9Confident24 Ų2439.8 Ų39.89%0.09119%0.186CC..  trans-87.8157.4-178.1-76.4117.2000112.5Q4 I47 G49 M515 I516 R519 R547 I548 D551 Y555Q4-W553 VanDerWaalsContact NE2-NE1 3.16Å; I47-W553 WeakPolarHBondContact O-CZ2 3.46Å; G49-W553 VanDerWaalsContact CA-CZ2 3.47Å; M515-W553 HydrophobicContact CB-CE3 4Å; M515-W553 HydrophobicContact CB-CZ3 3.74Å; M515-W553 HydrophobicContact CE-CB 4.35Å; M515-W553 HydrophobicContact CE-CD2 4.14Å; M515-W553 HydrophobicContact CE-CE3 4.11Å; M515-W553 HydrophobicContact CE-CG 4.31Å; I516-W553 HydrophobicContact CD1-CH2 4.5Å; I516-W553 HydrophobicContact CG1-CH2 3.67Å; I516-W553 HydrophobicContact CG1-CZ3 3.73Å; R519-W553 HydrophobicContact CB-CE3 4.48Å; R547-W553 WeakPolarHBondContact CA-O 3.41Å; I548-W553 PolarHBondContact N-O 3.28Å; D551-W553 PolarHBondContact O-N 3.49Å; D551-W553 VanDerWaalsContact O-N 3.15Å; D551-W553 PolarHBondContact OD1-N 3.11Å; W553-Y555 HydrophobicContact CB-CD2 4.23Å; W553-Y555 HydrophobicContact CB-CE2 3.35Å; W553-Y555 HydrophobicContact CG-CE2 4.47Å
554W92.8Very high88.6Confident6 Ų641.2 Ų41.22%0.02320%0.202CC..EExtended strand (participates in β ladder)trans-116.3125.5175.3-77.384000109.6M518 Y522 S523 C545 V546 R547 R587M518-W554 HydrophobicContact CB-CB 3.94Å; M518-W554 HydrophobicContact CE-CB 4.32Å; Y522-W554 HydrophobicContact CD2-CD2 4.25Å; Y522-W554 HydrophobicContact CD2-CE3 4.24Å; Y522-W554 HydrophobicContact CD2-CG 4.46Å; Y522-W554 HydrophobicContact CG-CD2 4.16Å; Y522-W554 HydrophobicContact CG-CE3 4.14Å; Y522-W554 HydrophobicContact CG-CZ3 4.37Å; Y522-W554 WeakPolarHBondContact O-CZ2 3.22Å; S523-W554 PolarHBondContact OG-NE1 3.03Å; C545-W554 HydrophobicContact CB-CE3 4.41Å; V546-W554 VanDerWaalsContact C-CE3 3.5Å; V546-W554 WeakPolarHBondContact O-CA 3.31Å; R547-W554 HydrophobicContact CB-CD2 3.77Å; R547-W554 HydrophobicContact CB-CE3 3.98Å; R547-W554 HydrophobicContact CB-CG 4.43Å; R547-W554 HydrophobicContact CB-CH2 3.83Å; R547-W554 HydrophobicContact CB-CZ2 3.63Å; R547-W554 HydrophobicContact CB-CZ3 3.99Å; R547-W554 HydrophobicContact CG-CD2 4.08Å; R547-W554 HydrophobicContact CG-CG 4.34Å; R547-W554 HydrophobicContact CG-CZ2 3.98Å; W554-R587 HydrophobicContact CH2-CG 3.55Å; W554-R587 HydrophobicContact CZ3-CB 3.99Å; W554-R587 HydrophobicContact CZ3-CG 3.48Å; W554-R587 VanDerWaalsContact CZ3-CG 3.48Å
555Y95.3Very high88.4Confident29 Ų2950.6 Ų50.611%0.11424%0.243CC..EExtended strand (participates in β ladder)trans-113.6144.4-173-67.2-94000110.5M515 C545 V546 I548 D551 W553 Y572 F575M515-Y555 HydrophobicContact CE-CD1 4Å; M515-Y555 HydrophobicContact CE-CE1 3.44Å; M515-Y555 VanDerWaalsContact CE-CE1 3.44Å; M515-Y555 HydrophobicContact CE-CE2 4.49Å; C545-Y555 CarbonylContact C-O 3.58Å; C545-Y555 WeakPolarHBondContact CA-O 3.47Å; C545-Y555 WeakPolarHBondContact CB-O 3.25Å; V546-Y555 PolarHBondContact N-O 3.22Å; V546-Y555 PolarHBondContact O-N 2.9Å; I548-Y555 HydrophobicContact CB-CD2 4.24Å; I548-Y555 HydrophobicContact CB-CE2 3.94Å; I548-Y555 HydrophobicContact CD1-CD2 3.64Å; I548-Y555 HydrophobicContact CD1-CE2 3.51Å; I548-Y555 HydrophobicContact CD1-CG 4.34Å; I548-Y555 HydrophobicContact CG1-CD2 3.67Å; I548-Y555 HydrophobicContact CG1-CE2 3.74Å; D551-Y555 PolarHBondContact OD2-OH 3.43Å; W553-Y555 HydrophobicContact CB-CD2 4.23Å; W553-Y555 HydrophobicContact CB-CE2 3.35Å; W553-Y555 HydrophobicContact CG-CE2 4.47Å; Y555-Y572 HydrophobicContact CD1-CD1 4.19Å; Y555-Y572 HydrophobicContact CD1-CE1 4.37Å; Y555-Y572 HydrophobicContact CG-CD1 4.19Å; Y555-Y572 HydrophobicContact CG-CE1 4.01Å; Y555-F575 HydrophobicContact CD1-CD2 4.01Å; Y555-F575 AromaticContact CD1-CE2 3.55Å; Y555-F575 HydrophobicContact CD1-CE2 3.55Å; Y555-F575 HydrophobicContact CD1-CZ 4.26Å; Y555-F575 HydrophobicContact CE1-CD2 4.2Å; Y555-F575 AromaticContact CE1-CE2 3.59Å; Y555-F575 HydrophobicContact CE1-CE2 3.59Å; Y555-F575 AromaticContact CE1-CZ 3.84Å; Y555-F575 HydrophobicContact CE1-CZ 3.84Å
556R96.1Very high88.2Confident3 Ų358 Ų581%0.01128%0.275CS..EExtended strand (participates in β ladder)trans-72.1136161.6-56.5-168.2-60.5-177.81.6108M514 M518 P573 D574 L589 Y593 L596 P597M514-R556 HydrophobicContact CE-CG 3.85Å; M518-R556 HydrophobicContact CE-CG 3.98Å; M518-R556 HydrophobicContact SD-CG 3.78Å; R556-P573 HydrophobicContact CB-CG 4.41Å; R556-P573 WeakPolarHBondContact O-CD 3.29Å; R556-D574 IonicContact CZ-OD1 3.08Å; R556-D574 IonicContact CZ-OD2 2.72Å; R556-D574 IonicContact NE-OD1 3.76Å; R556-D574 IonicContact NE-OD2 2.79Å; R556-D574 PolarHBondContact NE-OD2 2.86Å; R556-D574 VanDerWaalsContact NH2-CG 3.28Å; R556-D574 IonicContact NH2-OD1 2.71Å; R556-D574 PolarHBondContact NH2-OD1 3.06Å; R556-D574 IonicContact NH2-OD2 2.75Å; R556-D574 PolarHBondContact NH2-OD2 3.42Å; R556-D574 VanDerWaalsContact NH2-OD2 3.09Å; R556-L589 HydrophobicContact CG-CD1 4.04Å; R556-L589 HydrophobicContact CG-CD2 4.22Å; R556-Y593 WeakPolarHBondContact CD-O 3.48Å; R556-Y593 PolarHBondContact NH1-O 2.86Å; R556-L596 PolarHBondContact NH1-O 3.2Å; R556-L596 PolarHBondContact NH2-O 3.46Å; R556-P597 PolarHBondContact NH2-O 2.9Å
557V95.8Very high88.2Confident0 Ų061.7 Ų61.70%029%0.292CS..EExtended strand (participates in β ladder)trans-143.8149.3-178.6-840000110.4C544 V546 V570 F571 Y572 L586C544-V557 PolarHBondContact N-O 2.82Å; C544-V557 PolarHBondContact O-N 2.88Å; C544-V557 VanDerWaalsContact O-O 3.05Å; C544-V557 PolarHBondContact SG-O 3.12Å; V546-V557 HydrophobicContact CB-CG2 3.87Å; V546-V557 HydrophobicContact CG1-CB 4.38Å; V546-V557 HydrophobicContact CG1-CG1 3.73Å; V546-V557 HydrophobicContact CG1-CG2 3.72Å; V557-V570 HydrophobicContact CB-CB 4Å; V557-V570 HydrophobicContact CB-CG1 4.33Å; V557-V570 HydrophobicContact CB-CG2 4.36Å; V557-V570 HydrophobicContact CG1-CB 4.06Å; V557-V570 HydrophobicContact CG1-CG2 3.93Å; V557-F571 CarbonylContact C-O 3.53Å; V557-F571 WeakPolarHBondContact CA-O 3.46Å; V557-Y572 HydrophobicContact CG1-CD1 3.57Å; V557-Y572 HydrophobicContact CG1-CD2 4.22Å; V557-Y572 HydrophobicContact CG1-CE1 3.5Å; V557-Y572 VanDerWaalsContact CG1-CE1 3.5Å; V557-Y572 HydrophobicContact CG1-CE2 4.15Å; V557-Y572 HydrophobicContact CG1-CG 3.94Å; V557-L586 HydrophobicContact CG2-CD2 4.41Å
558I94.6Very high88.4Confident1 Ų157.2 Ų57.21%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-117.1129.8173.2-52.9178.9000107.9H542 L543 H560 V570 F571 P573 Y690H542-I558 WeakPolarHBondContact O-CA 3.37Å; L543-I558 HydrophobicContact CD1-CD1 4.34Å; L543-I558 HydrophobicContact CD1-CG1 3.73Å; I558-H560 PolarHBondContact O-N 2.67Å; I558-H560 VanDerWaalsContact O-N 3.14Å; I558-V570 CarbonylContact O-C 3.56Å; I558-V570 WeakPolarHBondContact O-CA 3.39Å; I558-F571 PolarHBondContact N-O 3.33Å; I558-F571 PolarHBondContact O-N 3.4Å; I558-P573 HydrophobicContact CD1-CB 4.33Å; I558-P573 HydrophobicContact CD1-CG 4.28Å; I558-P573 HydrophobicContact CG1-CG 4.23Å; I558-Y690 HydrophobicContact CB-CD2 4.44Å; I558-Y690 HydrophobicContact CB-CG 4.48Å; I558-Y690 HydrophobicContact CD1-CG 4.44Å; I558-Y690 HydrophobicContact CG2-CD1 3.99Å; I558-Y690 HydrophobicContact CG2-CD2 4.03Å; I558-Y690 HydrophobicContact CG2-CG 3.71Å
559I94.2Very high89.1Confident0 Ų056.4 Ų56.40%027%0.27CS..EExtended strand (participates in β ladder)trans-62.8117.5178.1-61.7175.1000108.8M533 I538 Q539 P540 G541 H542 V568 L586M533-I559 HydrophobicContact CE-CD1 4.42Å; M533-I559 HydrophobicContact SD-CD1 4.42Å; I538-I559 HydrophobicContact CB-CD1 4.27Å; I538-I559 HydrophobicContact CG2-CD1 3.84Å; Q539-I559 WeakPolarHBondContact O-CB 3.43Å; Q539-I559 WeakPolarHBondContact O-CG2 3.22Å; P540-I559 CarbonylContact C-O 3.15Å; P540-I559 WeakPolarHBondContact CA-O 3.35Å; G541-I559 PolarHBondContact N-O 2.79Å; H542-I559 HydrophobicContact CB-CD1 4.33Å; H542-I559 PolarHBondContact O-N 2.88Å; I559-V568 HydrophobicContact CG2-CG2 3.56Å; I559-L586 HydrophobicContact CD1-CD1 3.96Å; I559-L586 HydrophobicContact CG1-CD1 4.2Å
560H93.4Very high90.2Very high21 Ų2152.9 Ų52.910%0.09725%0.246CC..EExtended strand (participates in β ladder)trans-88.6-57.6-179.3179.945.7000110.9I558 E569 Y690I558-H560 PolarHBondContact O-N 2.67Å; I558-H560 VanDerWaalsContact O-N 3.14Å; H560-E569 WeakPolarHBondContact CA-O 3.45Å; H560-E569 WeakPolarHBondContact CB-O 3.36Å; H560-E569 IonicContact CD2-OE2 3.16Å; H560-E569 PolarHBondContact CD2-OE2 3.27Å; H560-E569 PolarHBondContact N-O 2.76Å; H560-Y690 WeakPolarHBondContact CA-OH 3.48Å; H560-Y690 AromaticContact ND1-CE2 3.71Å; H560-Y690 AromaticContact ND1-CZ 3.73Å; H560-Y690 PolarHBondContact ND1-OH 3.15Å; H560-Y690 PolarHBondContact O-OH 3.27Å
561R93.1Very high91.4Very high134 Ų13446.5 Ų46.551%0.50622%0.216SC..EExtended strand (participates in β ladder)trans-154.2150.3177.861.3-175.1178-165.9-3.5112.2V568 E569R561-V568 WeakPolarHBondContact O-CG2 3.3Å; R561-E569 HydrophobicContact CG-CB 3.74Å; R561-E569 IonicContact CZ-OE1 2.62Å; R561-E569 IonicContact CZ-OE2 2.64Å; R561-E569 PolarHBondContact N-O 2.79Å; R561-E569 IonicContact NE-OE1 3.04Å; R561-E569 PolarHBondContact NE-OE1 2.78Å; R561-E569 VanDerWaalsContact NE-OE1 3.14Å; R561-E569 IonicContact NE-OE2 2.64Å; R561-E569 PolarHBondContact NE-OE2 2.92Å; R561-E569 VanDerWaalsContact NH2-CD 3.3Å; R561-E569 IonicContact NH2-OE1 3.14Å; R561-E569 PolarHBondContact NH2-OE1 2.9Å; R561-E569 IonicContact NH2-OE2 2.76Å; R561-E569 PolarHBondContact NH2-OE2 2.87Å; R561-E569 PolarHBondContact O-N 2.85Å
562I93.8Very high92.7Very high72 Ų7245.7 Ų45.737%0.36921%0.211SC..EExtended strand (participates in β ladder)trans-86.5119175.5-55.2171.9000108.1I538 G564 V568I538-I562 WeakPolarHBondContact O-CD1 3.43Å; I562-G564 WeakPolarHBondContact CG2-O 3.46Å; I562-V568 HydrophobicContact CG1-CG2 4.45Å
563I90.6Very high93.5Very high85 Ų8541.8 Ų41.844%0.43619%0.194SC..  trans-87.5-35.7-179.3-61.4167.9000110.7E567 E569 T580I563-E567 PolarHBondContact N-O 2.93Å; I563-E569 HydrophobicContact CD1-CB 3.79Å; I563-E569 HydrophobicContact CD1-CG 3.79Å; I563-E569 HydrophobicContact CG1-CB 4.14Å; I563-T580 HydrophobicContact CD1-CG2 3.86Å
564G87.4Confident93.9Very high35 Ų3540.8 Ų40.836%0.36119%0.19SC..SBendtrans-166.5-160.7-178.400000114.3I562 E567 K583I562-G564 WeakPolarHBondContact CG2-O 3.46Å; G564-E567 PolarHBondContact N-O 3.13Å; G564-E567 VanDerWaalsContact N-O 3.16Å; G564-K583 WeakPolarHBondContact O-CE 3.39Å; G564-K583 PolarHBondContact O-NZ 3.24Å
565K88.8Confident94Very high196 Ų19642.4 Ų42.485%0.85220%0.198SC*.SBendtrans-64.9-43.1-176.5-67.9-174178.4-1790112.6K583K565-K583 PolarHBondContact O-NZ 3.43Å
566K92.1Very high93.8Very high155 Ų15541.1 Ų41.167%0.67419%0.193SC*.SBendtrans-104-17.3-176.8-64.1-175.6177.6-1790114.9Q582 K583K566-Q582 PolarHBondContact O-OE1 3.19Å; K566-K583 WeakPolarHBondContact O-CB 3.41Å; K566-K583 WeakPolarHBondContact O-CG 3.39Å; K566-K583 PolarHBondContact O-N 3.18Å
567E95.3Very high93.7Very high79 Ų7942.8 Ų42.837%0.36920%0.202SC..EExtended strand (participates in β ladder)trans-123.4146.3-165.9-78162.3-157.400112.2I563 G564 T580 V581 Q582I563-E567 PolarHBondContact N-O 2.93Å; G564-E567 PolarHBondContact N-O 3.13Å; G564-E567 VanDerWaalsContact N-O 3.16Å; E567-T580 HydrophobicContact CB-CG2 4.18Å; E567-T580 HydrophobicContact CG-CG2 4.41Å; E567-V581 WeakPolarHBondContact CA-O 3.09Å; E567-Q582 PolarHBondContact OE1-NE2 3.24Å
568V95.9Very high93.6Very high0 Ų045.2 Ų45.20%022%0.215CC..EExtended strand (participates in β ladder)trans-144.7138.9-173.662.50000108.8I538 I559 R561 I562 V581 K583 L586I538-V568 HydrophobicContact CG2-CB 4.49Å; I538-V568 HydrophobicContact CG2-CG2 4.21Å; I559-V568 HydrophobicContact CG2-CG2 3.56Å; R561-V568 WeakPolarHBondContact O-CG2 3.3Å; I562-V568 HydrophobicContact CG1-CG2 4.45Å; V568-V581 HydrophobicContact CG1-CG2 3.81Å; V568-V581 PolarHBondContact N-O 3.04Å; V568-V581 PolarHBondContact O-N 3.49Å; V568-K583 HydrophobicContact CB-CG 4.09Å; V568-K583 HydrophobicContact CG1-CG 3.87Å; V568-L586 HydrophobicContact CG1-CD1 4.01Å
569E96.1Very high93.5Very high23 Ų2346.1 Ų46.111%0.10723%0.225CC..EExtended strand (participates in β ladder)trans-89.2135.5175.3-131.1177.6-105.900109.3H560 R561 I563 I578 G579H560-E569 WeakPolarHBondContact CA-O 3.45Å; H560-E569 WeakPolarHBondContact CB-O 3.36Å; H560-E569 IonicContact CD2-OE2 3.16Å; H560-E569 PolarHBondContact CD2-OE2 3.27Å; H560-E569 PolarHBondContact N-O 2.76Å; R561-E569 HydrophobicContact CG-CB 3.74Å; R561-E569 IonicContact CZ-OE1 2.62Å; R561-E569 IonicContact CZ-OE2 2.64Å; R561-E569 PolarHBondContact N-O 2.79Å; R561-E569 IonicContact NE-OE1 3.04Å; R561-E569 PolarHBondContact NE-OE1 2.78Å; R561-E569 VanDerWaalsContact NE-OE1 3.14Å; R561-E569 IonicContact NE-OE2 2.64Å; R561-E569 PolarHBondContact NE-OE2 2.92Å; R561-E569 VanDerWaalsContact NH2-CD 3.3Å; R561-E569 IonicContact NH2-OE1 3.14Å; R561-E569 PolarHBondContact NH2-OE1 2.9Å; R561-E569 IonicContact NH2-OE2 2.76Å; R561-E569 PolarHBondContact NH2-OE2 2.87Å; R561-E569 PolarHBondContact O-N 2.85Å; I563-E569 HydrophobicContact CD1-CB 3.79Å; I563-E569 HydrophobicContact CD1-CG 3.79Å; I563-E569 HydrophobicContact CG1-CB 4.14Å; E569-I578 HydrophobicContact CG-CG2 3.62Å; E569-I578 WeakPolarHBondContact OE2-CG2 3.38Å; E569-G579 CarbonylContact C-O 3.57Å; E569-G579 WeakPolarHBondContact CA-O 3.17Å
570V95.7Very high93.6Very high0 Ų049.9 Ų49.90%025%0.248CC..EExtended strand (participates in β ladder)trans-128.7139.6-176-700000111.1V557 I558 Y572 I578 G579 V581 L586V557-V570 HydrophobicContact CB-CB 4Å; V557-V570 HydrophobicContact CB-CG1 4.33Å; V557-V570 HydrophobicContact CB-CG2 4.36Å; V557-V570 HydrophobicContact CG1-CB 4.06Å; V557-V570 HydrophobicContact CG1-CG2 3.93Å; I558-V570 CarbonylContact O-C 3.56Å; I558-V570 WeakPolarHBondContact O-CA 3.39Å; V570-Y572 HydrophobicContact CG2-CE2 3.79Å; V570-I578 CarbonylContact O-C 3.6Å; V570-I578 VanDerWaalsContact O-CA 3.31Å; V570-I578 WeakPolarHBondContact O-CA 3.3Å; V570-G579 WeakPolarHBondContact CG2-O 3.21Å; V570-G579 PolarHBondContact N-O 2.94Å; V570-G579 PolarHBondContact O-N 3.43Å; V570-V581 HydrophobicContact CB-CG2 4.47Å; V570-V581 HydrophobicContact CG1-CG2 3.78Å; V570-V581 HydrophobicContact CG2-CB 4.44Å; V570-V581 HydrophobicContact CG2-CG1 3.8Å; V570-V581 HydrophobicContact CG2-CG2 3.79Å; V570-L586 HydrophobicContact CG1-CD2 4.37Å
571F95.7Very high93.6Very high0 Ų049.7 Ų49.70%025%0.248CC..EExtended strand (participates in β ladder)trans-91.4137.2169.6172.4-115.9000109.8V557 I558 P573 G576 N577 I578 P686 L687 Y690V557-F571 CarbonylContact C-O 3.53Å; V557-F571 WeakPolarHBondContact CA-O 3.46Å; I558-F571 PolarHBondContact N-O 3.33Å; I558-F571 PolarHBondContact O-N 3.4Å; F571-P573 HydrophobicContact CD1-CB 4.38Å; F571-P573 HydrophobicContact CE1-CB 3.98Å; F571-P573 WeakPolarHBondContact O-CD 3.31Å; F571-G576 WeakPolarHBondContact CE2-O 3.3Å; F571-N577 WeakPolarHBondContact CD2-O 3.4Å; F571-I578 HydrophobicContact CB-CG1 4.32Å; F571-I578 HydrophobicContact CD2-CG1 4.1Å; F571-P686 HydrophobicContact CB-CB 4.24Å; F571-P686 HydrophobicContact CD1-CB 4.02Å; F571-P686 HydrophobicContact CD2-CB 3.53Å; F571-P686 HydrophobicContact CD2-CG 4.06Å; F571-P686 HydrophobicContact CE1-CB 4.25Å; F571-P686 HydrophobicContact CE2-CB 3.78Å; F571-P686 HydrophobicContact CE2-CG 4.24Å; F571-P686 HydrophobicContact CG-CB 3.66Å; F571-P686 HydrophobicContact CZ-CB 4.14Å; F571-L687 HydrophobicContact CE1-CB 4.23Å; F571-L687 HydrophobicContact CE1-CD1 3.99Å; F571-L687 HydrophobicContact CZ-CB 4.01Å; F571-L687 HydrophobicContact CZ-CD1 4.2Å; F571-Y690 HydrophobicContact CD1-CD2 4.3Å
572Y96Very high93.7Very high14 Ų1446.9 Ų46.96%0.05524%0.24CC..  trans-99.494178-69.2-101.6000109.4V546 I548 Y555 V557 V570 D574 F575 G576 N577V546-Y572 HydrophobicContact CG1-CE1 4.32Å; I548-Y572 HydrophobicContact CD1-CE1 4.07Å; Y555-Y572 HydrophobicContact CD1-CD1 4.19Å; Y555-Y572 HydrophobicContact CD1-CE1 4.37Å; Y555-Y572 HydrophobicContact CG-CD1 4.19Å; Y555-Y572 HydrophobicContact CG-CE1 4.01Å; V557-Y572 HydrophobicContact CG1-CD1 3.57Å; V557-Y572 HydrophobicContact CG1-CD2 4.22Å; V557-Y572 HydrophobicContact CG1-CE1 3.5Å; V557-Y572 VanDerWaalsContact CG1-CE1 3.5Å; V557-Y572 HydrophobicContact CG1-CE2 4.15Å; V557-Y572 HydrophobicContact CG1-CG 3.94Å; V570-Y572 HydrophobicContact CG2-CE2 3.79Å; Y572-D574 PolarHBondContact O-N 2.91Å; Y572-F575 PolarHBondContact O-N 3.35Å; Y572-G576 PolarHBondContact O-N 3.47Å; Y572-N577 WeakPolarHBondContact CB-OD1 3.48Å; Y572-N577 VanDerWaalsContact CD2-ND2 3.3Å; Y572-N577 WeakPolarHBondContact CD2-ND2 3.35Å; Y572-N577 PolarHBondContact N-O 2.78Å
573P95.3Very high93.7Very high0 Ų044.1 Ų44.10%023%0.226CC..THydrogen-bonded Turntrans-62.8-11.5-173.226.2-37.4000115.2L473 R556 I558 F571 A598 Q599 A600L473-P573 HydrophobicContact CD2-CB 4.07Å; L473-P573 HydrophobicContact CD2-CG 4.02Å; R556-P573 HydrophobicContact CB-CG 4.41Å; R556-P573 WeakPolarHBondContact O-CD 3.29Å; I558-P573 HydrophobicContact CD1-CB 4.33Å; I558-P573 HydrophobicContact CD1-CG 4.28Å; I558-P573 HydrophobicContact CG1-CG 4.23Å; F571-P573 HydrophobicContact CD1-CB 4.38Å; F571-P573 HydrophobicContact CE1-CB 3.98Å; F571-P573 WeakPolarHBondContact O-CD 3.31Å; P573-A598 HydrophobicContact CB-CB 3.94Å; P573-Q599 PolarHBondContact O-N 3.33Å; P573-A600 WeakPolarHBondContact O-CB 3.46Å; P573-A600 PolarHBondContact O-N 2.85Å
574D95.1Very high93.8Very high3 Ų344.6 Ų44.62%0.01624%0.236CC..THydrogen-bonded Turntrans-101-10.2179.4-62-45.5000114L511 R556 Y572 Q599L511-D574 HydrophobicContact CD1-CB 3.84Å; L511-D574 HydrophobicContact CD2-CB 4.13Å; R556-D574 IonicContact CZ-OD1 3.08Å; R556-D574 IonicContact CZ-OD2 2.72Å; R556-D574 IonicContact NE-OD1 3.76Å; R556-D574 IonicContact NE-OD2 2.79Å; R556-D574 PolarHBondContact NE-OD2 2.86Å; R556-D574 VanDerWaalsContact NH2-CG 3.28Å; R556-D574 IonicContact NH2-OD1 2.71Å; R556-D574 PolarHBondContact NH2-OD1 3.06Å; R556-D574 IonicContact NH2-OD2 2.75Å; R556-D574 PolarHBondContact NH2-OD2 3.42Å; R556-D574 VanDerWaalsContact NH2-OD2 3.09Å; Y572-D574 PolarHBondContact O-N 2.91Å; D574-Q599 HydrophobicContact CB-CB 4.14Å; D574-Q599 WeakPolarHBondContact OD1-CG 3.41Å; D574-Q599 PolarHBondContact OD1-N 3.06Å
575F93.3Very high94Very high40 Ų4044.5 Ų44.518%0.17523%0.23CC..THydrogen-bonded Turntrans-129.6-19.2-176.5-61.9-86.1000113.7Y491 L511 M515 Y555 Y572 N577Y491-F575 WeakPolarHBondContact CB-O 3.38Å; L511-F575 HydrophobicContact CD2-CZ 4.12Å; M515-F575 HydrophobicContact CE-CZ 4.21Å; M515-F575 HydrophobicContact SD-CE2 4.14Å; M515-F575 HydrophobicContact SD-CZ 3.8Å; Y555-F575 HydrophobicContact CD1-CD2 4.01Å; Y555-F575 AromaticContact CD1-CE2 3.55Å; Y555-F575 HydrophobicContact CD1-CE2 3.55Å; Y555-F575 HydrophobicContact CD1-CZ 4.26Å; Y555-F575 HydrophobicContact CE1-CD2 4.2Å; Y555-F575 AromaticContact CE1-CE2 3.59Å; Y555-F575 HydrophobicContact CE1-CE2 3.59Å; Y555-F575 AromaticContact CE1-CZ 3.84Å; Y555-F575 HydrophobicContact CE1-CZ 3.84Å; Y572-F575 PolarHBondContact O-N 3.35Å; F575-N577 VanDerWaalsContact C-N 3.31Å; F575-N577 WeakPolarHBondContact CB-OD1 3.48Å; F575-N577 PolarHBondContact O-N 3.25Å
576G92.7Very high94.3Very high2 Ų235.2 Ų35.22%0.02119%0.19CC..  trans85.9-11.4173.100000115.6Y499 F571 Y572Y499-G576 WeakPolarHBondContact CE2-O 3.44Å; F571-G576 WeakPolarHBondContact CE2-O 3.3Å; Y572-G576 PolarHBondContact O-N 3.47Å
577N93.2Very high94.4Very high39 Ų3929.1 Ų29.121%0.20916%0.163CC..  trans-78.8162.6175.969.5-69.1000112.7Y491 F571 Y572 F575Y491-N577 HydrophobicContact CD1-CB 3.87Å; Y491-N577 HydrophobicContact CD2-CB 3.76Å; Y491-N577 HydrophobicContact CE1-CB 4.02Å; Y491-N577 HydrophobicContact CE2-CB 3.92Å; Y491-N577 HydrophobicContact CG-CB 3.75Å; F571-N577 WeakPolarHBondContact CD2-O 3.4Å; Y572-N577 WeakPolarHBondContact CB-OD1 3.48Å; Y572-N577 VanDerWaalsContact CD2-ND2 3.3Å; Y572-N577 WeakPolarHBondContact CD2-ND2 3.35Å; Y572-N577 PolarHBondContact N-O 2.78Å; F575-N577 VanDerWaalsContact C-N 3.31Å; F575-N577 WeakPolarHBondContact CB-OD1 3.48Å; F575-N577 PolarHBondContact O-N 3.25Å
578I93.4Very high94.4Very high51 Ų5125.7 Ų25.726%0.26215%0.147SC..EExtended strand (participates in β ladder)trans-107.1148.1163.2-67.2173.1000107.8E569 V570 F571 L684 P686E569-I578 HydrophobicContact CG-CG2 3.62Å; E569-I578 WeakPolarHBondContact OE2-CG2 3.38Å; V570-I578 CarbonylContact O-C 3.6Å; V570-I578 VanDerWaalsContact O-CA 3.31Å; V570-I578 WeakPolarHBondContact O-CA 3.3Å; F571-I578 HydrophobicContact CB-CG1 4.32Å; F571-I578 HydrophobicContact CD2-CG1 4.1Å; I578-L684 HydrophobicContact CD1-CD2 3.99Å; I578-P686 HydrophobicContact CD1-CG 3.85Å; I578-P686 HydrophobicContact CG1-CG 4.42Å
579G93.4Very high94.4Very high20 Ų2025.7 Ų25.721%0.20615%0.147CC..EExtended strand (participates in β ladder)trans-149.1162173.800000112.4E569 V570E569-G579 CarbonylContact C-O 3.57Å; E569-G579 WeakPolarHBondContact CA-O 3.17Å; V570-G579 WeakPolarHBondContact CG2-O 3.21Å; V570-G579 PolarHBondContact N-O 2.94Å; V570-G579 PolarHBondContact O-N 3.43Å
580T95.2Very high94.3Very high79 Ų7926.1 Ų26.149%0.48515%0.148SC..EExtended strand (participates in β ladder)trans-98.3132.2177.1-59.10000110.3I563 E567I563-T580 HydrophobicContact CD1-CG2 3.86Å; E567-T580 HydrophobicContact CB-CG2 4.18Å; E567-T580 HydrophobicContact CG-CG2 4.41Å
581V94.6Very high94.1Very high16 Ų1629.2 Ų29.210%0.09717%0.169CC..EExtended strand (participates in β ladder)trans-132.4156.3178.9-59.60000111.7V546 E567 V568 V570 L586V546-V581 HydrophobicContact CG2-CB 4.18Å; V546-V581 HydrophobicContact CG2-CG1 4.09Å; V546-V581 HydrophobicContact CG2-CG2 4.36Å; E567-V581 WeakPolarHBondContact CA-O 3.09Å; V568-V581 HydrophobicContact CG1-CG2 3.81Å; V568-V581 PolarHBondContact N-O 3.04Å; V568-V581 PolarHBondContact O-N 3.49Å; V570-V581 HydrophobicContact CB-CG2 4.47Å; V570-V581 HydrophobicContact CG1-CG2 3.78Å; V570-V581 HydrophobicContact CG2-CB 4.44Å; V570-V581 HydrophobicContact CG2-CG1 3.8Å; V570-V581 HydrophobicContact CG2-CG2 3.79Å; V581-L586 HydrophobicContact CG2-CD2 3.9Å
582Q94Very high93.9Very high75 Ų7531.6 Ų31.635%0.3519%0.185SC..EExtended strand (participates in β ladder)trans-73.5134.2171.8-63.6-65.2-33.900109.5K566 E567 S584 S585K566-Q582 PolarHBondContact O-OE1 3.19Å; E567-Q582 PolarHBondContact OE1-NE2 3.24Å; Q582-S584 PolarHBondContact O-N 3.37Å; Q582-S584 VanDerWaalsContact O-N 3.15Å; Q582-S585 PolarHBondContact O-N 3.47Å; Q582-S585 PolarHBondContact O-OG 2.85Å
583K94.4Very high93.8Very high14 Ų1431.6 Ų31.66%0.06119%0.185CC..G310 helixtrans-55.1-36178.2-72-175.6-171.2170.20113E535 I538 G564 K565 K566 V568 S585 L586E535-K583 WeakPolarHBondContact OE1-CD 3.17Å; E535-K583 IonicContact OE1-NZ 3.89Å; E535-K583 PolarHBondContact OE1-NZ 3.28Å; E535-K583 VanDerWaalsContact OE2-CD 3.23Å; E535-K583 WeakPolarHBondContact OE2-CD 3.01Å; E535-K583 IonicContact OE2-NZ 2.71Å; I538-K583 HydrophobicContact CD1-CB 3.65Å; I538-K583 HydrophobicContact CD1-CD 4.13Å; I538-K583 HydrophobicContact CD1-CG 3.98Å; I538-K583 HydrophobicContact CG2-CD 4.15Å; I538-K583 HydrophobicContact CG2-CG 4.09Å; G564-K583 WeakPolarHBondContact O-CE 3.39Å; G564-K583 PolarHBondContact O-NZ 3.24Å; K565-K583 PolarHBondContact O-NZ 3.43Å; K566-K583 WeakPolarHBondContact O-CB 3.41Å; K566-K583 WeakPolarHBondContact O-CG 3.39Å; K566-K583 PolarHBondContact O-N 3.18Å; V568-K583 HydrophobicContact CB-CG 4.09Å; V568-K583 HydrophobicContact CG1-CG 3.87Å; K583-S585 PolarHBondContact O-N 2.69Å; K583-L586 WeakPolarHBondContact O-CB 3.33Å; K583-L586 PolarHBondContact O-N 3.43Å; K583-L586 VanDerWaalsContact O-N 3.17Å
584S92.1Very high93.7Very high95 Ų9533.9 Ų33.966%0.66420%0.199SC*.G310 helixtrans-67.1-14.1177.254.10000115Q582 R587Q582-S584 PolarHBondContact O-N 3.37Å; Q582-S584 VanDerWaalsContact O-N 3.15Å; S584-R587 PolarHBondContact O-NH1 3.03Å
585S92.7Very high93.5Very high33 Ų3342.3 Ų42.323%0.23124%0.236CC..G310 helixtrans-91-9.9173.569.40000113.8V546 Q582 K583V546-S585 VanDerWaalsContact CG2-OG 3.26Å; V546-S585 WeakPolarHBondContact CG2-OG 3.37Å; Q582-S585 PolarHBondContact O-N 3.47Å; Q582-S585 PolarHBondContact O-OG 2.85Å; K583-S585 PolarHBondContact O-N 2.69Å
586L94.5Very high93.5Very high1 Ų141.4 Ų41.41%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-70145174.5-63.7-173.2000111.7M533 I538 V546 V557 I559 V568 V570 V581 K583M533-L586 HydrophobicContact CB-CB 4.3Å; M533-L586 HydrophobicContact SD-CB 4.37Å; M533-L586 HydrophobicContact SD-CD1 4.37Å; I538-L586 HydrophobicContact CD1-CD1 4.23Å; I538-L586 HydrophobicContact CG1-CD1 4.25Å; I538-L586 HydrophobicContact CG2-CD1 4.04Å; V546-L586 HydrophobicContact CB-CD2 4.08Å; V546-L586 HydrophobicContact CG2-CD2 4.18Å; V557-L586 HydrophobicContact CG2-CD2 4.41Å; I559-L586 HydrophobicContact CD1-CD1 3.96Å; I559-L586 HydrophobicContact CG1-CD1 4.2Å; V568-L586 HydrophobicContact CG1-CD1 4.01Å; V570-L586 HydrophobicContact CG1-CD2 4.37Å; V581-L586 HydrophobicContact CG2-CD2 3.9Å; K583-L586 WeakPolarHBondContact O-CB 3.33Å; K583-L586 PolarHBondContact O-N 3.43Å; K583-L586 VanDerWaalsContact O-N 3.17Å
587R94.9Very high93.5Very high28 Ų2842.8 Ų42.811%0.10624%0.241CC..EExtended strand (participates in β ladder)trans-135.6151172.7-63.8-61.4-178.9-89.87.2110.8Y522 S528 Y531 C544 C545 W554 S584 L589Y522-R587 HydrophobicContact CE1-CB 4.48Å; S528-R587 WeakPolarHBondContact O-CD 3.23Å; S528-R587 PolarHBondContact O-NE 3.1Å; Y531-R587 VanDerWaalsContact C-CD 3.44Å; Y531-R587 CarbonylContact O-C 3.42Å; Y531-R587 WeakPolarHBondContact O-CA 3.45Å; Y531-R587 WeakPolarHBondContact O-CB 3.26Å; Y531-R587 WeakPolarHBondContact O-CD 3.19Å; C544-R587 VanDerWaalsContact CB-O 3.27Å; C544-R587 WeakPolarHBondContact CB-O 3.23Å; C545-R587 PolarHBondContact N-O 2.88Å; C545-R587 PolarHBondContact O-N 2.89Å; W554-R587 HydrophobicContact CH2-CG 3.55Å; W554-R587 HydrophobicContact CZ3-CB 3.99Å; W554-R587 HydrophobicContact CZ3-CG 3.48Å; W554-R587 VanDerWaalsContact CZ3-CG 3.48Å; S584-R587 PolarHBondContact O-NH1 3.03Å; R587-L589 PolarHBondContact O-N 2.71Å
588F95.2Very high93.6Very high7 Ų741 Ų413%0.03123%0.232CC..EExtended strand (participates in β ladder)trans-60.2127.8167.7-75-65.9000110.5I463 A467 Y522 Y531 M533 F537I463-F588 HydrophobicContact CG1-CZ 4.42Å; I463-F588 HydrophobicContact CG2-CE1 4.44Å; I463-F588 HydrophobicContact CG2-CE2 4.46Å; I463-F588 HydrophobicContact CG2-CZ 4.25Å; A467-F588 HydrophobicContact CB-CB 3.89Å; A467-F588 HydrophobicContact CB-CD1 4.4Å; A467-F588 HydrophobicContact CB-CG 4.18Å; Y522-F588 PolarHBondContact OH-O 3.16Å; Y531-F588 HydrophobicContact CD1-CB 4Å; Y531-F588 WeakPolarHBondContact CD1-O 3.32Å; Y531-F588 PolarHBondContact O-N 3.27Å; M533-F588 HydrophobicContact CE-CD1 4.38Å; M533-F588 HydrophobicContact CE-CE1 4.26Å; M533-F588 HydrophobicContact CG-CD1 4.33Å; M533-F588 HydrophobicContact CG-CE1 4.13Å; M533-F588 HydrophobicContact CG-CZ 4.3Å; F537-F588 HydrophobicContact CB-CE1 4.44Å; F537-F588 HydrophobicContact CB-CZ 4.4Å; F537-F588 HydrophobicContact CD1-CE1 4.38Å; F537-F588 HydrophobicContact CD2-CE1 4.36Å; F537-F588 AromaticContact CD2-CZ 3.75Å; F537-F588 HydrophobicContact CD2-CZ 3.75Å; F537-F588 HydrophobicContact CE2-CZ 4.12Å; F537-F588 HydrophobicContact CG-CE1 4.15Å; F537-F588 AromaticContact CG-CZ 3.98Å; F537-F588 HydrophobicContact CG-CZ 3.98Å
589L95.5Very high93.7Very high0 Ų038.6 Ų38.60%022%0.219CC..PPolyproline II helixtrans-71.4138.5172.6-171.468.5000109.4A467 V468 M518 Y522 L543 C545 R556 R587 Y593 T594A467-L589 CarbonylContact C-O 3.59Å; A467-L589 WeakPolarHBondContact CA-O 3.36Å; V468-L589 HydrophobicContact CB-CB 4.37Å; V468-L589 HydrophobicContact CG2-CB 4.08Å; V468-L589 HydrophobicContact CG2-CD2 4.31Å; V468-L589 HydrophobicContact CG2-CG 4.25Å; V468-L589 VanDerWaalsContact CG2-O 3.31Å; V468-L589 WeakPolarHBondContact CG2-O 3.44Å; V468-L589 PolarHBondContact N-O 3.25Å; M518-L589 HydrophobicContact CE-CD1 3.66Å; M518-L589 HydrophobicContact SD-CD1 4.13Å; Y522-L589 VanDerWaalsContact OH-CA 3.3Å; Y522-L589 WeakPolarHBondContact OH-CA 3.45Å; L543-L589 HydrophobicContact CD1-CD2 4.13Å; L543-L589 HydrophobicContact CD2-CD2 3.88Å; L543-L589 HydrophobicContact CG-CD2 3.78Å; C545-L589 HydrophobicContact CB-CD1 3.91Å; R556-L589 HydrophobicContact CG-CD1 4.04Å; R556-L589 HydrophobicContact CG-CD2 4.22Å; R587-L589 PolarHBondContact O-N 2.71Å; L589-Y593 HydrophobicContact CD1-CD2 3.97Å; L589-Y593 HydrophobicContact CD1-CG 4.37Å; L589-T594 HydrophobicContact CD2-CG2 3.89Å
590K93.9Very high93.8Very high32 Ų3237.7 Ų37.714%0.13921%0.21CC..BIsolated β-bridgetrans-78.7140.2172.1-68.6160.274.173.80110D466 C521 Y522 Y531 C592 Y593D466-K590 CarbonylContact O-C 3.46Å; D466-K590 VanDerWaalsContact O-CA 3.32Å; D466-K590 WeakPolarHBondContact O-CA 3.44Å; D466-K590 WeakPolarHBondContact OD2-CE 3.46Å; D466-K590 IonicContact OD2-NZ 3.7Å; D466-K590 PolarHBondContact OD2-NZ 3.47Å; C521-K590 VanDerWaalsContact SG-CE 3.54Å; Y522-K590 HydrophobicContact CE1-CD 4.32Å; Y522-K590 WeakPolarHBondContact OH-CG 3.33Å; Y522-K590 PolarHBondContact OH-N 3.21Å; Y531-K590 HydrophobicContact CD1-CG 4.07Å; Y531-K590 HydrophobicContact CE1-CD 4.1Å; Y531-K590 HydrophobicContact CE1-CG 3.43Å; Y531-K590 VanDerWaalsContact CE1-CG 3.43Å; Y531-K590 HydrophobicContact CE2-CD 4.36Å; Y531-K590 PolarHBondContact OH-NZ 2.71Å; K590-C592 PolarHBondContact O-N 3.17Å; K590-C592 VanDerWaalsContact O-N 3.15Å; K590-Y593 HydrophobicContact CB-CD2 3.86Å; K590-Y593 HydrophobicContact CB-CE2 3.93Å; K590-Y593 HydrophobicContact CD-CE2 4.05Å; K590-Y593 HydrophobicContact CG-CE2 4.47Å; K590-Y593 WeakPolarHBondContact O-CB 3.46Å; K590-Y593 PolarHBondContact O-N 3.17Å
591C91.8Very high93.8Very high64 Ų6434.5 Ų34.543%0.43219%0.19SC..G310 helixtrans-61.8-24.1-17465.70000113.9D466 V468 Y593 T594D466-C591 PolarHBondContact O-N 3Å; D466-C591 PolarHBondContact O-SG 3.24Å; V468-C591 HydrophobicContact CG2-CB 4.35Å; C591-Y593 PolarHBondContact O-N 2.91Å; C591-T594 PolarHBondContact O-N 2.78Å; C591-T594 PolarHBondContact O-OG1 3.14Å
592C91.4Very high93.8Very high50 Ų5034 Ų3434%0.33819%0.187SC..G310 helixtrans-58.5-30.9171.254.30000113K590 T594 K595K590-C592 PolarHBondContact O-N 3.17Å; K590-C592 VanDerWaalsContact O-N 3.15Å; C592-T594 VanDerWaalsContact C-N 3.35Å; C592-T594 PolarHBondContact O-N 2.86Å; C592-K595 WeakPolarHBondContact O-CG 3.37Å
593Y93.9Very high93.9Very high14 Ų1430.4 Ų30.46%0.05517%0.17CC..G310 helixtrans-86.64.1-178.3-53-46.6000114.2M514 E517 M518 C521 Y522 R556 L589 K590 C591M514-Y593 HydrophobicContact CG-CD1 3.89Å; M514-Y593 HydrophobicContact CG-CG 4.49Å; E517-Y593 HydrophobicContact CB-CE1 3.8Å; E517-Y593 PolarHBondContact O-OH 2.82Å; M518-Y593 HydrophobicContact CG-CD1 3.93Å; M518-Y593 HydrophobicContact CG-CD2 3.58Å; M518-Y593 HydrophobicContact CG-CE1 3.96Å; M518-Y593 HydrophobicContact CG-CE2 3.6Å; M518-Y593 HydrophobicContact CG-CG 3.75Å; M518-Y593 HydrophobicContact SD-CD2 4.23Å; M518-Y593 HydrophobicContact SD-CG 4.16Å; C521-Y593 WeakPolarHBondContact CB-OH 3.48Å; Y522-Y593 HydrophobicContact CE2-CD2 4.17Å; Y522-Y593 AromaticContact CE2-CE2 3.76Å; Y522-Y593 HydrophobicContact CE2-CE2 3.76Å; R556-Y593 WeakPolarHBondContact CD-O 3.48Å; R556-Y593 PolarHBondContact NH1-O 2.86Å; L589-Y593 HydrophobicContact CD1-CD2 3.97Å; L589-Y593 HydrophobicContact CD1-CG 4.37Å; K590-Y593 HydrophobicContact CB-CD2 3.86Å; K590-Y593 HydrophobicContact CB-CE2 3.93Å; K590-Y593 HydrophobicContact CD-CE2 4.05Å; K590-Y593 HydrophobicContact CG-CE2 4.47Å; K590-Y593 WeakPolarHBondContact O-CB 3.46Å; K590-Y593 PolarHBondContact O-N 3.17Å; C591-Y593 PolarHBondContact O-N 2.91Å
594T92.2Very high94Very high48 Ų4830 Ų3029%0.29417%0.169SC..G310 helixtrans-95-1.716963.80000113.4V468 L543 L589 C591 C592 L596V468-T594 HydrophobicContact CG1-CG2 4.23Å; V468-T594 HydrophobicContact CG2-CG2 3.43Å; V468-T594 VanDerWaalsContact CG2-CG2 3.43Å; L543-T594 HydrophobicContact CD2-CG2 3.8Å; L589-T594 HydrophobicContact CD2-CG2 3.89Å; C591-T594 PolarHBondContact O-N 2.78Å; C591-T594 PolarHBondContact O-OG1 3.14Å; C592-T594 VanDerWaalsContact C-N 3.35Å; C592-T594 PolarHBondContact O-N 2.86Å; T594-L596 VanDerWaalsContact C-N 3.35Å
595K91.1Very high94.1Very high181 Ų18125.4 Ų25.479%0.78714%0.137SC*.SBendtrans-65.3-35.8177.3-67.8-179.5177.8-175.90112.8C592C592-K595 WeakPolarHBondContact O-CG 3.37Å
596L92.8Very high94.2Very high20 Ų2023.9 Ų23.911%0.10513%0.126CC..SBendtrans-77.9129.8171.9-171.172000109L510 L511 M514 R556 T594 Q599L510-L596 HydrophobicContact CB-CD1 3.73Å; L510-L596 HydrophobicContact CD1-CD1 4.19Å; L511-L596 HydrophobicContact CB-CD2 4.1Å; L511-L596 HydrophobicContact CD1-CD2 3.98Å; M514-L596 HydrophobicContact CE-CD2 4.29Å; M514-L596 HydrophobicContact SD-CB 4.11Å; M514-L596 HydrophobicContact SD-CD2 3.87Å; R556-L596 PolarHBondContact NH1-O 3.2Å; R556-L596 PolarHBondContact NH2-O 3.46Å; T594-L596 VanDerWaalsContact C-N 3.35Å; L596-Q599 HydrophobicContact CD2-CG 3.99Å; L596-Q599 HydrophobicContact CG-CG 4.34Å
597P93.8Very high94.1Very high31 Ų3128.1 Ų28.120%0.20114%0.142CC..PPolyproline II helixtrans-65.7170172.625.6-32000112C474 R475 L476 R556 Q599C474-P597 HydrophobicContact CB-CB 4.32Å; C474-P597 CarbonylContact O-C 3.51Å; C474-P597 WeakPolarHBondContact O-CA 3.46Å; C474-P597 WeakPolarHBondContact O-CB 3.35Å; R475-P597 WeakPolarHBondContact O-CB 3.33Å; L476-P597 HydrophobicContact CD2-CG 3.66Å; L476-P597 HydrophobicContact CG-CB 4.41Å; L476-P597 HydrophobicContact CG-CG 4.05Å; R556-P597 PolarHBondContact NH2-O 2.9Å; P597-Q599 PolarHBondContact O-N 3.15Å; P597-Q599 PolarHBondContact O-NE2 3.13Å
598A94.5Very high93.9Very high2 Ų227.3 Ų27.32%0.01714%0.141CC..BIsolated β-bridgetrans-59.7124.4169.600000110.3L473 C474 P573 L687 T691L473-A598 HydrophobicContact CD2-CB 3.86Å; L473-A598 HydrophobicContact CG-CB 4.24Å; C474-A598 PolarHBondContact O-N 3.42Å; P573-A598 HydrophobicContact CB-CB 3.94Å; A598-L687 HydrophobicContact CB-CD1 3.85Å; A598-T691 HydrophobicContact CB-CG2 4.31Å
599Q95.3Very high93.8Very high0 Ų032 Ų320%016%0.158CC..  trans-89-17.3-170.7-62.1-60.3-69.400115R501 S507 L511 P573 D574 L596 P597R501-Q599 HydrophobicContact CG-CB 4.19Å; S507-Q599 PolarHBondContact OG-OE1 3.37Å; L511-Q599 HydrophobicContact CB-CG 4.25Å; L511-Q599 HydrophobicContact CD1-CG 4.09Å; L511-Q599 HydrophobicContact CD2-CB 4.2Å; L511-Q599 HydrophobicContact CD2-CG 4.18Å; L511-Q599 HydrophobicContact CG-CG 4.4Å; P573-Q599 PolarHBondContact O-N 3.33Å; D574-Q599 HydrophobicContact CB-CB 4.14Å; D574-Q599 WeakPolarHBondContact OD1-CG 3.41Å; D574-Q599 PolarHBondContact OD1-N 3.06Å; L596-Q599 HydrophobicContact CD2-CG 3.99Å; L596-Q599 HydrophobicContact CG-CG 4.34Å; P597-Q599 PolarHBondContact O-N 3.15Å; P597-Q599 PolarHBondContact O-NE2 3.13Å
600A95.4Very high93.7Very high2 Ų232.8 Ų32.82%0.01716%0.163CC..  trans-82.3124.5177.700000111.6Y499 P573 L687Y499-A600 HydrophobicContact CD1-CB 3.99Å; P573-A600 WeakPolarHBondContact O-CB 3.46Å; P573-A600 PolarHBondContact O-N 2.85Å; A600-L687 VanDerWaalsContact O-CD2 3.31Å; A600-L687 WeakPolarHBondContact O-CD2 3.28Å
601I95.1Very high93.5Very high12 Ų1233.1 Ų33.16%0.06217%0.172CC..EExtended strand (participates in β ladder)trans-106.3123.3175-55.1174.6000108.5L476 Y499 I500 I502 L644L476-I601 HydrophobicContact CD1-CD1 4.03Å; L476-I601 HydrophobicContact CD1-CG1 4.09Å; Y499-I601 VanDerWaalsContact CA-O 3.31Å; Y499-I601 WeakPolarHBondContact CA-O 3.38Å; I500-I601 HydrophobicContact CG1-CB 3.84Å; I500-I601 HydrophobicContact CG1-CG2 4.48Å; I500-I601 PolarHBondContact N-O 3.08Å; I500-I601 PolarHBondContact O-N 3Å; I502-I601 HydrophobicContact CD1-CD1 3.87Å; I502-I601 HydrophobicContact CG1-CD1 3.9Å; I601-L644 HydrophobicContact CG2-CB 4.01Å; I601-L644 HydrophobicContact CG2-CD2 3.91Å
602P95.6Very high93.4Very high5 Ų536.1 Ų36.13%0.03218%0.18CC..EExtended strand (participates in β ladder)trans-75.4133.4177.830.2-33.3000110.7Y499 I643 L644 F681 L687Y499-P602 HydrophobicContact CD1-CB 4.06Å; Y499-P602 HydrophobicContact CE1-CB 3.73Å; P602-I643 HydrophobicContact CB-CD1 3.96Å; P602-I643 HydrophobicContact CG-CD1 3.97Å; P602-L644 PolarHBondContact O-N 3.36Å; P602-F681 HydrophobicContact CB-CD1 4.43Å; P602-F681 HydrophobicContact CB-CE1 3.77Å; P602-F681 HydrophobicContact CB-CE2 4Å; P602-F681 HydrophobicContact CB-CZ 3.52Å; P602-L687 HydrophobicContact CG-CD2 4.26Å
603C95.8Very high93.1Very high0 Ų040.7 Ų40.70%020%0.196CC..EExtended strand (participates in β ladder)trans-137.3150.9-168.2-730000115F498 I500 L644 I646 F681F498-C603 HydrophobicContact CD1-CB 4.46Å; F498-C603 WeakPolarHBondContact CD1-O 3.43Å; F498-C603 HydrophobicContact CD2-CB 3.7Å; F498-C603 HydrophobicContact CE1-CB 4.16Å; F498-C603 HydrophobicContact CE2-CB 3.34Å; F498-C603 HydrophobicContact CG-CB 4.26Å; F498-C603 HydrophobicContact CZ-CB 3.6Å; F498-C603 PolarHBondContact N-O 3.2Å; F498-C603 PolarHBondContact O-N 3.2Å; I500-C603 VanDerWaalsContact CD1-SG 3.59Å; I500-C603 HydrophobicContact CG2-CB 4.36Å; C603-L644 WeakPolarHBondContact CA-O 3.5Å; C603-I646 HydrophobicContact CB-CG2 4.22Å; C603-F681 WeakPolarHBondContact O-CE2 3.22Å
604S96.1Very high93Very high4 Ų445.8 Ų45.83%0.02822%0.22CC..EExtended strand (participates in β ladder)trans-125.5144.9167.4-178.50000109.3S496 A606 L644 N645 I646S496-S604 WeakPolarHBondContact CA-OG 3.26Å; S604-A606 PolarHBondContact O-N 3.24Å; S604-L644 PolarHBondContact N-O 2.69Å; S604-N645 WeakPolarHBondContact O-CA 3.33Å; S604-I646 PolarHBondContact O-N 2.66Å
605L95.5Very high93.1Very high0 Ų044.8 Ų44.80%021%0.211CC..EExtended strand (participates in β ladder)trans-74.9120.4177.9-174.462.5000108.7P495 F498 V608 F623 I646 L648 F659 L663P495-L605 HydrophobicContact CB-CD2 4.43Å; P495-L605 WeakPolarHBondContact O-CB 3.35Å; P495-L605 PolarHBondContact O-N 3.11Å; F498-L605 HydrophobicContact CE1-CB 4.19Å; L605-V608 HydrophobicContact CB-CG2 3.85Å; L605-V608 HydrophobicContact CD2-CG2 3.78Å; L605-V608 HydrophobicContact CG-CG2 3.65Å; L605-V608 WeakPolarHBondContact O-CG2 3.49Å; L605-F623 HydrophobicContact CD2-CD2 4.4Å; L605-F623 HydrophobicContact CD2-CE2 4.01Å; L605-I646 WeakPolarHBondContact CA-O 3.49Å; L605-L648 HydrophobicContact CD1-CB 4.2Å; L605-L648 HydrophobicContact CD1-CG 4.23Å; L605-F659 HydrophobicContact CD1-CB 4.5Å; L605-F659 HydrophobicContact CD2-CB 4.36Å; L605-L663 HydrophobicContact CD2-CD1 3.74Å
606A94.1Very high93.3Very high0 Ų038 Ų380%019%0.185CC..THydrogen-bonded Turntrans-64.3144.1-169.400000113.3S604 V608 D637 N645 I646 F647 N675S604-A606 PolarHBondContact O-N 3.24Å; A606-V608 PolarHBondContact O-N 3.29Å; A606-V608 VanDerWaalsContact O-N 3.12Å; A606-D637 HydrophobicContact CB-CB 4.08Å; A606-N645 HydrophobicContact CB-CB 4.27Å; A606-I646 PolarHBondContact N-O 2.73Å; A606-F647 HydrophobicContact CB-CD1 3.8Å; A606-F647 HydrophobicContact CB-CD2 3.92Å; A606-F647 HydrophobicContact CB-CE1 3.63Å; A606-F647 HydrophobicContact CB-CE2 3.74Å; A606-F647 HydrophobicContact CB-CG 3.96Å; A606-F647 HydrophobicContact CB-CZ 3.6Å; A606-N675 WeakPolarHBondContact CA-OD1 3.07Å
607W92Very high93.4Very high90 Ų9041.9 Ų41.934%0.34121%0.213SC..THydrogen-bonded Turntrans58.219.7173.9-59.325.6000115.2D637 F647 V671 C672 N675W607-D637 VanDerWaalsContact CD1-OD2 3.22Å; W607-D637 PolarHBondContact NE1-OD2 2.86Å; W607-F647 HydrophobicContact CB-CE1 4.14Å; W607-F647 HydrophobicContact CB-CZ 4.29Å; W607-F647 AromaticContact CD1-CZ 3.61Å; W607-F647 HydrophobicContact CD2-CE1 4.48Å; W607-F647 AromaticContact CD2-CZ 3.89Å; W607-F647 HydrophobicContact CD2-CZ 3.89Å; W607-F647 AromaticContact CE2-CZ 3.9Å; W607-F647 HydrophobicContact CG-CE1 4.06Å; W607-F647 AromaticContact CG-CZ 3.71Å; W607-F647 HydrophobicContact CG-CZ 3.71Å; W607-F647 AromaticContact NE1-CZ 3.71Å; W607-V671 CarbonylContact O-C 3.6Å; W607-V671 WeakPolarHBondContact O-CA 3.43Å; W607-C672 PolarHBondContact O-N 3.4Å; W607-N675 PolarHBondContact N-OD1 3.48Å
608V91.5Very high93.5Very high12 Ų1248.1 Ų48.17%0.07323%0.233CC..EExtended strand (participates in β ladder)trans-128.7145.5175.9-69.60000113.2L605 A606 W615 H660 A669L605-V608 HydrophobicContact CB-CG2 3.85Å; L605-V608 HydrophobicContact CD2-CG2 3.78Å; L605-V608 HydrophobicContact CG-CG2 3.65Å; L605-V608 WeakPolarHBondContact O-CG2 3.49Å; A606-V608 PolarHBondContact O-N 3.29Å; A606-V608 VanDerWaalsContact O-N 3.12Å; V608-W615 HydrophobicContact CB-CH2 4.46Å; V608-W615 HydrophobicContact CG2-CH2 4.36Å; V608-H660 HydrophobicContact CG1-CB 3.91Å; V608-A669 HydrophobicContact CB-CB 4.09Å; V608-A669 HydrophobicContact CG1-CB 4.15Å
609R92.3Very high93.6Very high104 Ų10448 Ų4839%0.39223%0.232SC..EExtended strand (participates in β ladder)trans-127.8163170.469.6172.1-179.879.4-8.9109.6W615 A669 I670 C672R609-W615 VanDerWaalsContact C-CH2 3.49Å; R609-A669 CarbonylContact O-C 3.57Å; R609-A669 VanDerWaalsContact O-CA 3.3Å; R609-A669 WeakPolarHBondContact O-CA 3.46Å; R609-I670 HydrophobicContact CG-CB 4.22Å; R609-I670 PolarHBondContact N-O 3.44Å; R609-I670 PolarHBondContact O-N 2.86Å; R609-C672 WeakPolarHBondContact CG-SG 3.48Å
610P93.8Very high93.6Very high18 Ų1849.6 Ų49.612%0.11724%0.24CC..EExtended strand (participates in β ladder)trans-56.8149.3170.924.4-34.4000111.6E612 H614 W615P610-E612 VanDerWaalsContact C-N 3.33Å; P610-E612 CarbonylContact C-O 3.57Å; P610-E612 WeakPolarHBondContact CB-O 3.46Å; P610-E612 WeakPolarHBondContact CG-O 3.46Å; P610-H614 VanDerWaalsContact CB-O 3.29Å; P610-H614 WeakPolarHBondContact CB-O 3.39Å; P610-W615 HydrophobicContact CB-CD2 3.8Å; P610-W615 HydrophobicContact CB-CE3 3.92Å; P610-W615 HydrophobicContact CB-CG 4.1Å; P610-W615 HydrophobicContact CB-CZ3 4.43Å; P610-W615 HydrophobicContact CG-CD2 4.34Å; P610-W615 HydrophobicContact CG-CG 4.44Å
611A90.8Very high93.6Very high38 Ų3853.6 Ų53.631%0.31426%0.261SS..SBendtrans-65-40172.400000111.9G667 H668 I670A611-G667 VanDerWaalsContact CB-O 3.3Å; A611-G667 WeakPolarHBondContact CB-O 3.28Å; A611-H668 PolarHBondContact N-O 2.93Å; A611-H668 VanDerWaalsContact N-O 3.11Å; A611-I670 HydrophobicContact CB-CD1 4.28Å; A611-I670 HydrophobicContact CB-CG1 4.22Å
612E87.7Confident93.6Very high128 Ų12854.8 Ų54.860%0.59827%0.266SS*.SBendtrans-89.3-171.5172.3-66.3162.7-129.700110.9P610 H614 T616P610-E612 VanDerWaalsContact C-N 3.33Å; P610-E612 CarbonylContact C-O 3.57Å; P610-E612 WeakPolarHBondContact CB-O 3.46Å; P610-E612 WeakPolarHBondContact CG-O 3.46Å; E612-H614 PolarHBondContact O-N 3.14Å; E612-T616 WeakPolarHBondContact OE1-CG2 3.36Å; E612-T616 WeakPolarHBondContact OE2-CG2 3.24Å
613E86.7Confident93.6Very high146 Ų14654.5 Ų54.568%0.68226%0.264SS*.SBendtrans-65.4-28.8177.1-160.4-170.415400112.7K679E613-K679 IonicContact OE1-NZ 3.9Å
614H90.6Very high93.5Very high120 Ų12058.5 Ų58.556%0.55628%0.283SS*.SBendtrans-132.9158.4-176-58.9-15.1000110.6P610 E612 T616P610-H614 VanDerWaalsContact CB-O 3.29Å; P610-H614 WeakPolarHBondContact CB-O 3.39Å; E612-H614 PolarHBondContact O-N 3.14Å; H614-T616 PolarHBondContact O-N 3.26Å
615W94.3Very high93.3Very high27 Ų2765.3 Ų65.310%0.10231%0.312CS..  trans-68.9114.4172.3-70.2111.8000110P495 S496 V608 R609 P610 A619 I620 H668 A669P495-W615 HydrophobicContact CB-CD2 4.13Å; P495-W615 HydrophobicContact CB-CE3 4.38Å; P495-W615 HydrophobicContact CB-CH2 4.01Å; P495-W615 HydrophobicContact CB-CZ2 3.73Å; P495-W615 HydrophobicContact CB-CZ3 4.32Å; P495-W615 HydrophobicContact CG-CD2 3.8Å; P495-W615 HydrophobicContact CG-CE3 3.84Å; P495-W615 HydrophobicContact CG-CG 4.32Å; P495-W615 HydrophobicContact CG-CH2 4.3Å; P495-W615 HydrophobicContact CG-CZ2 4.26Å; P495-W615 HydrophobicContact CG-CZ3 4.09Å; S496-W615 PolarHBondContact OG-NE1 3.46Å; V608-W615 HydrophobicContact CB-CH2 4.46Å; V608-W615 HydrophobicContact CG2-CH2 4.36Å; R609-W615 VanDerWaalsContact C-CH2 3.49Å; P610-W615 HydrophobicContact CB-CD2 3.8Å; P610-W615 HydrophobicContact CB-CE3 3.92Å; P610-W615 HydrophobicContact CB-CG 4.1Å; P610-W615 HydrophobicContact CB-CZ3 4.43Å; P610-W615 HydrophobicContact CG-CD2 4.34Å; P610-W615 HydrophobicContact CG-CG 4.44Å; W615-A619 HydrophobicContact CE3-CB 3.98Å; W615-I620 HydrophobicContact CB-CD1 4.11Å; W615-I620 HydrophobicContact CB-CG1 3.86Å; W615-I620 WeakPolarHBondContact O-CD1 3.45Å; W615-H668 WeakPolarHBondContact CZ3-O 3.12Å; W615-A669 HydrophobicContact CH2-CB 3.78Å; W615-A669 HydrophobicContact CZ3-CB 3.91Å
616T95.6Very high93.2Very high39 Ų3966.3 Ų66.324%0.23932%0.317CS..  trans-65.7151.7178.158.70000111.7E612 H614 R618 A619 I620E612-T616 WeakPolarHBondContact OE1-CG2 3.36Å; E612-T616 WeakPolarHBondContact OE2-CG2 3.24Å; H614-T616 PolarHBondContact O-N 3.26Å; T616-R618 PolarHBondContact O-N 3.02Å; T616-R618 VanDerWaalsContact O-N 3.07Å; T616-A619 WeakPolarHBondContact O-CA 3.42Å; T616-A619 WeakPolarHBondContact O-CB 3.37Å; T616-A619 PolarHBondContact O-N 3.39Å; T616-A619 PolarHBondContact OG1-N 3.14Å; T616-I620 PolarHBondContact O-N 3.08Å
617S95.9Very high93Very high101 Ų10166.4 Ų66.471%0.70632%0.318SS*.Hα-helixtrans-55.6-30.6178.6-42.40000112.8L621S617-L621 WeakPolarHBondContact O-CB 3.45Å; S617-L621 PolarHBondContact O-N 3.02Å
618R95.5Very high92.5Very high162 Ų16263.8 Ų63.861%0.61132%0.319SS*.Hα-helixtrans-67.5-42173.6-171.517257.198-10.2112T616 H622 H668T616-R618 PolarHBondContact O-N 3.02Å; T616-R618 VanDerWaalsContact O-N 3.07Å; R618-H622 PolarHBondContact O-N 3.46Å; R618-H668 PolarHBondContact NH1-CE1 3.01Å; R618-H668 PolarHBondContact NH1-NE2 2.98Å; R618-H668 VanDerWaalsContact NH1-NE2 3.15Å
619A95.5Very high91.7Very high0 Ų070.7 Ų70.70%036%0.355CS..Hα-helixtrans-65.1-44.7175.100000112.1W615 T616 H622 F623 H668W615-A619 HydrophobicContact CE3-CB 3.98Å; T616-A619 WeakPolarHBondContact O-CA 3.42Å; T616-A619 WeakPolarHBondContact O-CB 3.37Å; T616-A619 PolarHBondContact O-N 3.39Å; T616-A619 PolarHBondContact OG1-N 3.14Å; A619-H622 PolarHBondContact O-N 2.89Å; A619-F623 WeakPolarHBondContact O-CB 3.33Å; A619-F623 PolarHBondContact O-N 3.28Å; A619-H668 HydrophobicContact CB-CB 3.8Å; A619-H668 WeakPolarHBondContact CB-ND1 3.3Å; A619-H668 PolarHBondContact N-CE1 3.25Å
620I95.9Very high91.1Very high33 Ų3368.4 Ų68.417%0.16935%0.348CS..Hα-helixtrans-63.1-47.6178.5-60.4169.1000110.1W615 T616 H622 F623 Q624W615-I620 HydrophobicContact CB-CD1 4.11Å; W615-I620 HydrophobicContact CB-CG1 3.86Å; W615-I620 WeakPolarHBondContact O-CD1 3.45Å; T616-I620 PolarHBondContact O-N 3.08Å; I620-H622 VanDerWaalsContact C-N 3.33Å; I620-H622 PolarHBondContact O-N 2.61Å; I620-F623 PolarHBondContact O-N 2.89Å; I620-Q624 WeakPolarHBondContact O-CG 3.17Å; I620-Q624 PolarHBondContact O-N 2.68Å
621L95.2Very high90.8Very high87 Ų8770.4 Ų70.446%0.45536%0.36SS..Hα-helixtrans-66.7-30.8179-177145.7000112.7S617 K625S617-L621 WeakPolarHBondContact O-CB 3.45Å; S617-L621 PolarHBondContact O-N 3.02Å; L621-K625 HydrophobicContact CD2-CD 4.1Å; L621-K625 WeakPolarHBondContact O-CG 3.44Å; L621-K625 PolarHBondContact O-N 3.48Å
622H95Very high90.8Very high36 Ų3668.7 Ų68.717%0.16735%0.346CS..Hα-helixtrans-72.1-44.6170.5-167.1-171000111.6R618 A619 I620 Q624 K625 L626 V662 E666R618-H622 PolarHBondContact O-N 3.46Å; A619-H622 PolarHBondContact O-N 2.89Å; I620-H622 VanDerWaalsContact C-N 3.33Å; I620-H622 PolarHBondContact O-N 2.61Å; H622-Q624 VanDerWaalsContact C-N 3.29Å; H622-Q624 PolarHBondContact O-N 2.82Å; H622-K625 WeakPolarHBondContact O-CA 3.38Å; H622-K625 WeakPolarHBondContact O-CB 3.28Å; H622-K625 PolarHBondContact O-N 2.75Å; H622-L626 WeakPolarHBondContact O-CG 3.49Å; H622-L626 PolarHBondContact O-N 3.49Å; H622-V662 VanDerWaalsContact CE1-CG1 3.48Å; H622-V662 WeakPolarHBondContact CE1-CG1 3.48Å; H622-E666 VanDerWaalsContact CE1-CD 3.42Å; H622-E666 IonicContact CE1-OE1 3.44Å; H622-E666 PolarHBondContact CE1-OE1 3.27Å; H622-E666 IonicContact CE1-OE2 3.11Å; H622-E666 PolarHBondContact CE1-OE2 2.85Å; H622-E666 IonicContact CG-OE2 2.72Å; H622-E666 IonicContact ND1-OE1 2.68Å; H622-E666 IonicContact ND1-OE2 3.53Å; H622-E666 PolarHBondContact ND1-OE2 3.07Å
623F95.8Very high91.1Very high0 Ų063.1 Ų63.10%032%0.321CS..Hα-helixtrans-56.7-42.1174.9-178.6-112000112.3I492 P495 F498 L605 A619 I620 K625 L626 C627 L648 F659 L663I492-F623 HydrophobicContact CD1-CD1 4.25Å; I492-F623 HydrophobicContact CD1-CE1 4.22Å; I492-F623 HydrophobicContact CG1-CE1 4.32Å; I492-F623 HydrophobicContact CG2-CD1 3.71Å; I492-F623 HydrophobicContact CG2-CE1 3.95Å; P495-F623 HydrophobicContact CB-CD1 4.28Å; P495-F623 HydrophobicContact CB-CD2 4.29Å; P495-F623 HydrophobicContact CB-CE1 4.49Å; P495-F623 HydrophobicContact CB-CE2 4.48Å; P495-F623 HydrophobicContact CB-CG 4.18Å; P495-F623 HydrophobicContact CG-CB 3.84Å; P495-F623 HydrophobicContact CG-CD1 4.01Å; P495-F623 HydrophobicContact CG-CD2 4.32Å; P495-F623 HydrophobicContact CG-CG 3.81Å; F498-F623 HydrophobicContact CB-CE1 4.35Å; F498-F623 AromaticContact CD1-CE1 3.77Å; F498-F623 HydrophobicContact CD1-CE1 3.77Å; F498-F623 AromaticContact CD1-CZ 3.72Å; F498-F623 HydrophobicContact CD1-CZ 3.72Å; F498-F623 HydrophobicContact CE1-CE1 4.21Å; F498-F623 AromaticContact CE1-CZ 3.67Å; F498-F623 HydrophobicContact CE1-CZ 3.67Å; F498-F623 HydrophobicContact CG-CE1 4.07Å; F498-F623 HydrophobicContact CG-CZ 4.17Å; F498-F623 HydrophobicContact CZ-CZ 4.09Å; L605-F623 HydrophobicContact CD2-CD2 4.4Å; L605-F623 HydrophobicContact CD2-CE2 4.01Å; A619-F623 WeakPolarHBondContact O-CB 3.33Å; A619-F623 PolarHBondContact O-N 3.28Å; I620-F623 PolarHBondContact O-N 2.89Å; F623-K625 PolarHBondContact O-N 3.44Å; F623-L626 PolarHBondContact O-N 3.34Å; F623-C627 PolarHBondContact O-N 3.3Å; F623-C627 PolarHBondContact O-SG 2.81Å; F623-L648 HydrophobicContact CE2-CD1 4.13Å; F623-L648 HydrophobicContact CZ-CD1 4.03Å; F623-F659 HydrophobicContact CD2-CD2 4.26Å; F623-F659 AromaticContact CE2-CD2 3.96Å; F623-F659 HydrophobicContact CE2-CD2 3.96Å; F623-L663 HydrophobicContact CB-CD1 4.5Å; F623-L663 HydrophobicContact CD2-CD1 4.07Å
624Q94.1Very high91.4Very high84 Ų8456.2 Ų56.239%0.39329%0.288SS..Hα-helixtrans-57.5-42.4172.3-73.1170.6-15.200113.1I492 I620 H622 G628I492-Q624 HydrophobicContact CB-CG 4.14Å; I492-Q624 HydrophobicContact CD1-CB 4.44Å; I492-Q624 HydrophobicContact CD1-CG 3.93Å; I492-Q624 HydrophobicContact CG2-CG 3.86Å; I620-Q624 WeakPolarHBondContact O-CG 3.17Å; I620-Q624 PolarHBondContact O-N 2.68Å; H622-Q624 VanDerWaalsContact C-N 3.29Å; H622-Q624 PolarHBondContact O-N 2.82Å; Q624-G628 PolarHBondContact O-N 2.83Å
625K92.3Very high91.5Very high147 Ų14752.5 Ų52.564%0.63927%0.274SS*.Hα-helixtrans-67.1-38.3174.9-73.8170.2174.8176.70113.1L621 H622 F623L621-K625 HydrophobicContact CD2-CD 4.1Å; L621-K625 WeakPolarHBondContact O-CG 3.44Å; L621-K625 PolarHBondContact O-N 3.48Å; H622-K625 WeakPolarHBondContact O-CA 3.38Å; H622-K625 WeakPolarHBondContact O-CB 3.28Å; H622-K625 PolarHBondContact O-N 2.75Å; F623-K625 PolarHBondContact O-N 3.44Å
626L92.1Very high91.4Very high21 Ų2151.3 Ų51.311%0.1127%0.27CS..Hα-helixtrans-64.9-45.7176.8-70.3172.5000110.7H622 F623 K630 F659 V662H622-L626 WeakPolarHBondContact O-CG 3.49Å; H622-L626 PolarHBondContact O-N 3.49Å; F623-L626 PolarHBondContact O-N 3.34Å; L626-K630 WeakPolarHBondContact O-CE 3.11Å; L626-K630 PolarHBondContact O-NZ 3.21Å; L626-F659 VanDerWaalsContact C-CZ 3.43Å; L626-F659 HydrophobicContact CB-CD1 4.11Å; L626-F659 HydrophobicContact CB-CD2 4.11Å; L626-F659 HydrophobicContact CB-CE1 3.96Å; L626-F659 HydrophobicContact CB-CE2 3.95Å; L626-F659 HydrophobicContact CB-CG 4.2Å; L626-F659 HydrophobicContact CB-CZ 3.89Å; L626-F659 HydrophobicContact CD1-CB 4.48Å; L626-F659 HydrophobicContact CD1-CD1 4.45Å; L626-F659 HydrophobicContact CD1-CG 4.36Å; L626-F659 WeakPolarHBondContact O-CZ 3.48Å; L626-V662 HydrophobicContact CD1-CB 4.08Å; L626-V662 HydrophobicContact CD1-CG1 3.93Å; L626-V662 HydrophobicContact CD2-CG1 4.23Å
627C91Very high91.3Very high2 Ų251 Ų511%0.01427%0.266CS..Hα-helixtrans-59.6-62.3175.3-68.30000112.1V489 I492 F623 K630 F659V489-C627 HydrophobicContact CB-CB 4.21Å; V489-C627 HydrophobicContact CG2-CB 4.36Å; I492-C627 HydrophobicContact CD1-CB 3.85Å; F623-C627 PolarHBondContact O-N 3.3Å; F623-C627 PolarHBondContact O-SG 2.81Å; C627-K630 WeakPolarHBondContact O-CE 3.44Å; C627-K630 VanDerWaalsContact O-CG 3.24Å; C627-K630 WeakPolarHBondContact O-CG 3.32Å; C627-F659 HydrophobicContact CB-CE2 4.48Å
628G81.3Confident91.3Very high35 Ų3549.6 Ų49.636%0.36125%0.249SC..THydrogen-bonded Turntrans56.5-170.5-175.900000114.7Q624 K630Q624-G628 PolarHBondContact O-N 2.83Å; G628-K630 PolarHBondContact O-N 3.34Å
629L73.8Confident91.1Very high157 Ų15745.3 Ų45.382%0.82223%0.233SC*.THydrogen-bonded Turntrans-9660.7173.1-62.8179.5000110.6
630K81.4Confident90.9Very high56 Ų5647 Ų4724%0.24324%0.242CC..SBendtrans-138.6150.9-178.160.6-177.6178.2-166.10111L626 C627 G628 L632 D650L626-K630 WeakPolarHBondContact O-CE 3.11Å; L626-K630 PolarHBondContact O-NZ 3.21Å; C627-K630 WeakPolarHBondContact O-CE 3.44Å; C627-K630 VanDerWaalsContact O-CG 3.24Å; C627-K630 WeakPolarHBondContact O-CG 3.32Å; G628-K630 PolarHBondContact O-N 3.34Å; K630-L632 HydrophobicContact CD-CD2 4.33Å; K630-L632 HydrophobicContact CG-CD2 4.08Å; K630-D650 WeakPolarHBondContact CE-OD2 3.13Å; K630-D650 IonicContact NZ-OD2 3.35Å; K630-D650 PolarHBondContact NZ-OD2 3.37Å
631P85.8Confident90.5Very high59 Ų5950 Ų5038%0.38326%0.258SS..  trans-70.9135.3173.130-33.8000109.9F488 Y503F488-P631 HydrophobicContact CE1-CB 3.98Å; F488-P631 HydrophobicContact CE1-CG 4.45Å; F488-P631 HydrophobicContact CZ-CB 4.13Å; Y503-P631 HydrophobicContact CD1-CB 3.93Å; Y503-P631 HydrophobicContact CE1-CB 4.22Å; Y503-P631 HydrophobicContact CG-CB 4.49Å
632L91.9Very high90.1Very high3 Ų347.7 Ų47.72%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-112.7166.3177.1-55.9178000110.6G486 V487 V489 K630 L648 D650 F659G486-L632 WeakPolarHBondContact CA-O 3.43Å; V487-L632 HydrophobicContact CG2-CB 3.98Å; V487-L632 PolarHBondContact N-O 2.9Å; V487-L632 PolarHBondContact O-N 2.9Å; V489-L632 HydrophobicContact CG2-CD1 3.91Å; K630-L632 HydrophobicContact CD-CD2 4.33Å; K630-L632 HydrophobicContact CG-CD2 4.08Å; L632-L648 HydrophobicContact CD1-CD1 4.32Å; L632-D650 HydrophobicContact CD2-CB 3.97Å; L632-F659 HydrophobicContact CD1-CE2 3.54Å; L632-F659 HydrophobicContact CD1-CZ 3.68Å; L632-F659 HydrophobicContact CD2-CE2 4.45Å; L632-F659 HydrophobicContact CD2-CZ 3.72Å; L632-F659 HydrophobicContact CG-CZ 4.36Å
633V93.2Very high90.1Very high11 Ų1146.4 Ų46.47%0.06725%0.25CC..EExtended strand (participates in β ladder)trans-99.8120.2165.9-178.10000108.5L484 C649 T651 V1007L484-V633 HydrophobicContact CD2-CG1 4.36Å; V633-C649 PolarHBondContact N-O 3.08Å; V633-C649 PolarHBondContact O-N 2.86Å; V633-T651 HydrophobicContact CB-CG2 4.09Å; V633-T651 HydrophobicContact CG2-CG2 3.58Å; V633-V1007 HydrophobicContact CG1-CG2 4.06Å; V633-V1007 HydrophobicContact CG2-CG2 3.61Å
634G93.4Very high90.1Very high0 Ų046.4 Ų46.40%025%0.25CC..EExtended strand (participates in β ladder)trans-98.5136.9170.500000111.2L484 V485 F647L484-G634 WeakPolarHBondContact CA-O 3.29Å; V485-G634 PolarHBondContact N-O 3.24Å; V485-G634 PolarHBondContact O-N 3.28Å; G634-F647 CarbonylContact C-O 3.44Å; G634-F647 WeakPolarHBondContact CA-O 3.24Å
635V91.7Very high90.1Very high42 Ų4242.7 Ų42.726%0.25523%0.233SC..EExtended strand (participates in β ladder)trans-107.8117.4167.4-162.20000108.1L484 D637 I646 F647L484-V635 HydrophobicContact CD2-CB 4.21Å; L484-V635 HydrophobicContact CD2-CG1 3.97Å; L484-V635 HydrophobicContact CD2-CG2 3.68Å; V635-D637 PolarHBondContact O-N 3.35Å; V635-I646 WeakPolarHBondContact O-CA 3.33Å; V635-I646 VanDerWaalsContact O-CG1 3.29Å; V635-I646 WeakPolarHBondContact O-CG1 3.48Å; V635-F647 HydrophobicContact CB-CB 4.15Å; V635-F647 HydrophobicContact CB-CD2 4.38Å; V635-F647 HydrophobicContact CG2-CB 4.31Å; V635-F647 PolarHBondContact N-O 3.03Å; V635-F647 PolarHBondContact O-N 2.88Å
636V94.1Very high90.3Very high2 Ų235.7 Ų35.71%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-72.2123.4179.5175.10000109.6L479 D480 S482 T483 V485 L644L479-V636 HydrophobicContact CB-CG1 4.21Å; L479-V636 HydrophobicContact CB-CG2 3.81Å; L479-V636 HydrophobicContact CD1-CG2 3.83Å; L479-V636 HydrophobicContact CG-CG2 4.49Å; D480-V636 WeakPolarHBondContact O-CG1 3.29Å; S482-V636 WeakPolarHBondContact CA-O 3.37Å; S482-V636 PolarHBondContact N-O 3.44Å; T483-V636 PolarHBondContact O-N 3.05Å; T483-V636 WeakPolarHBondContact OG1-CG2 3.26Å; V485-V636 HydrophobicContact CG2-CG2 4.11Å; V636-L644 HydrophobicContact CB-CD1 4.4Å; V636-L644 HydrophobicContact CG1-CD1 3.76Å; V636-L644 HydrophobicContact CG2-CD1 4.28Å
637D93.4Very high90.4Very high32 Ų3236.3 Ų36.317%0.17120%0.204CC..EExtended strand (participates in β ladder)trans-95.8-74.6176.6-164.842.1000109.2T481 A606 W607 V635 N645 F647 N675T481-D637 WeakPolarHBondContact CB-O 3.47Å; T481-D637 VanDerWaalsContact CG2-O 3.22Å; T481-D637 WeakPolarHBondContact CG2-O 3.49Å; T481-D637 PolarHBondContact OG1-O 2.9Å; A606-D637 HydrophobicContact CB-CB 4.08Å; W607-D637 VanDerWaalsContact CD1-OD2 3.22Å; W607-D637 PolarHBondContact NE1-OD2 2.86Å; V635-D637 PolarHBondContact O-N 3.35Å; D637-N645 HydrophobicContact CB-CB 4.41Å; D637-N645 WeakPolarHBondContact CB-O 3.47Å; D637-N645 PolarHBondContact N-O 2.78Å; D637-F647 HydrophobicContact CB-CD2 4.29Å; D637-F647 HydrophobicContact CB-CE2 3.91Å; D637-N675 PolarHBondContact OD2-ND2 2.87Å
638E93.9Very high90.6Very high73 Ų7336.2 Ų36.234%0.34120%0.204SC..EExtended strand (participates in β ladder)trans-155.2164.3179.464.2180153.300112.9I640 N645 N675E638-I640 HydrophobicContact CG-CD1 4.33Å; E638-I640 HydrophobicContact CG-CG1 4.16Å; E638-N645 HydrophobicContact CG-CB 4.28Å; E638-N645 WeakPolarHBondContact O-CB 3.42Å; E638-N645 PolarHBondContact O-N 3.43Å; E638-N645 PolarHBondContact O-ND2 2.83Å; E638-N675 PolarHBondContact OE1-ND2 2.86Å
639Y93Very high91.1Very high72 Ų7234.8 Ų34.828%0.28219%0.188SC..EExtended strand (participates in β ladder)trans-103121.6170.4-79.1-100.9000111P478 L479 I643 L644P478-Y639 HydrophobicContact CB-CD2 4.39Å; P478-Y639 HydrophobicContact CB-CE2 4.06Å; L479-Y639 HydrophobicContact CB-CE2 4.28Å; L479-Y639 PolarHBondContact N-OH 2.99Å; L479-Y639 VanDerWaalsContact N-OH 3.14Å; L479-Y639 WeakPolarHBondContact O-CE2 3.32Å; Y639-I643 CarbonylContact C-O 3.57Å; Y639-I643 VanDerWaalsContact CA-O 3.29Å; Y639-I643 WeakPolarHBondContact CA-O 3.14Å; Y639-L644 HydrophobicContact CD1-CB 4.12Å; Y639-L644 HydrophobicContact CD2-CD1 4.26Å; Y639-L644 HydrophobicContact CE1-CB 3.7Å; Y639-L644 HydrophobicContact CE2-CB 4.46Å; Y639-L644 HydrophobicContact CE2-CD1 3.83Å
640I90.9Very high91.9Very high35 Ų3528.1 Ų28.118%0.17915%0.153CC..EExtended strand (participates in β ladder)trans-119129.9174.9-65.7179.9000108.9E638 G642 I643 N675 P677E638-I640 HydrophobicContact CG-CD1 4.33Å; E638-I640 HydrophobicContact CG-CG1 4.16Å; I640-G642 PolarHBondContact O-N 3.32Å; I640-I643 PolarHBondContact N-O 3.12Å; I640-I643 WeakPolarHBondContact O-CA 3.42Å; I640-I643 VanDerWaalsContact O-CB 3.32Å; I640-I643 WeakPolarHBondContact O-CB 3.33Å; I640-I643 PolarHBondContact O-N 3.4Å; I640-N675 HydrophobicContact CD1-CB 3.66Å; I640-P677 HydrophobicContact CG2-CB 4.27Å; I640-P677 HydrophobicContact CG2-CG 4Å
641D87.1Confident92.2Very high95 Ų9526.1 Ų26.151%0.50815%0.146SC..THydrogen-bonded Turntrans51.424.9-177.1-60.5-21.4000114I643 R682D641-I643 VanDerWaalsContact C-N 3.34Å; D641-R682 IonicContact OD1-NH2 2.62Å; D641-R682 IonicContact OD2-CZ 2.75Å; D641-R682 IonicContact OD2-NE 2.71Å; D641-R682 PolarHBondContact OD2-NE 3.47Å; D641-R682 IonicContact OD2-NH2 2.61Å; D641-R682 PolarHBondContact OD2-NH2 3.38Å
642G87.4Confident92Very high39 Ų3927.7 Ų27.740%0.40216%0.158SC..THydrogen-bonded Turntrans79.19.7-174.100000115.3I640I640-G642 PolarHBondContact O-N 3.32Å
643I93.7Very high91.5Very high10 Ų1029.8 Ų29.85%0.05117%0.173CC..EExtended strand (participates in β ladder)trans-98.3134.1173-46.5-54.7000109P602 Y639 I640 D641 F681 N685P602-I643 HydrophobicContact CB-CD1 3.96Å; P602-I643 HydrophobicContact CG-CD1 3.97Å; Y639-I643 CarbonylContact C-O 3.57Å; Y639-I643 VanDerWaalsContact CA-O 3.29Å; Y639-I643 WeakPolarHBondContact CA-O 3.14Å; I640-I643 PolarHBondContact N-O 3.12Å; I640-I643 WeakPolarHBondContact O-CA 3.42Å; I640-I643 VanDerWaalsContact O-CB 3.32Å; I640-I643 WeakPolarHBondContact O-CB 3.33Å; I640-I643 PolarHBondContact O-N 3.4Å; D641-I643 VanDerWaalsContact C-N 3.34Å; I643-F681 HydrophobicContact CB-CD2 4.42Å; I643-F681 HydrophobicContact CD1-CB 3.66Å; I643-F681 HydrophobicContact CD1-CD1 4.18Å; I643-F681 HydrophobicContact CD1-CD2 3.64Å; I643-F681 HydrophobicContact CD1-CE2 4.26Å; I643-F681 HydrophobicContact CD1-CG 3.59Å; I643-F681 HydrophobicContact CG1-CB 3.99Å; I643-F681 HydrophobicContact CG1-CD2 3.89Å; I643-F681 HydrophobicContact CG1-CG 4.16Å; I643-F681 HydrophobicContact CG2-CD2 3.64Å; I643-F681 HydrophobicContact CG2-CE2 3.75Å; I643-N685 VanDerWaalsContact CD1-ND2 3.27Å; I643-N685 WeakPolarHBondContact CD1-ND2 3.27Å
644L95.5Very high90.9Very high0 Ų035 Ų350%020%0.2CC..EExtended strand (participates in β ladder)trans-83.4116.1177.6167.257000110.8L479 I500 I601 P602 C603 S604 V636 Y639 I646L479-L644 HydrophobicContact CD1-CD2 4.08Å; I500-L644 HydrophobicContact CD1-CD2 3.93Å; I601-L644 HydrophobicContact CG2-CB 4.01Å; I601-L644 HydrophobicContact CG2-CD2 3.91Å; P602-L644 PolarHBondContact O-N 3.36Å; C603-L644 WeakPolarHBondContact CA-O 3.5Å; S604-L644 PolarHBondContact N-O 2.69Å; V636-L644 HydrophobicContact CB-CD1 4.4Å; V636-L644 HydrophobicContact CG1-CD1 3.76Å; V636-L644 HydrophobicContact CG2-CD1 4.28Å; Y639-L644 HydrophobicContact CD1-CB 4.12Å; Y639-L644 HydrophobicContact CD2-CD1 4.26Å; Y639-L644 HydrophobicContact CE1-CB 3.7Å; Y639-L644 HydrophobicContact CE2-CB 4.46Å; Y639-L644 HydrophobicContact CE2-CD1 3.83Å; L644-I646 HydrophobicContact CD1-CB 4.44Å; L644-I646 HydrophobicContact CD2-CD1 4.23Å; L644-I646 HydrophobicContact CG-CB 4.16Å
645N95.8Very high90.4Very high5 Ų541.4 Ų41.43%0.02723%0.23CC..EExtended strand (participates in β ladder)trans-81.5123.8165.3-61.3-73.3000109S604 A606 D637 E638 N675S604-N645 WeakPolarHBondContact O-CA 3.33Å; A606-N645 HydrophobicContact CB-CB 4.27Å; D637-N645 HydrophobicContact CB-CB 4.41Å; D637-N645 WeakPolarHBondContact CB-O 3.47Å; D637-N645 PolarHBondContact N-O 2.78Å; E638-N645 HydrophobicContact CG-CB 4.28Å; E638-N645 WeakPolarHBondContact O-CB 3.42Å; E638-N645 PolarHBondContact O-N 3.43Å; E638-N645 PolarHBondContact O-ND2 2.83Å; N645-N675 HydrophobicContact CB-CB 4.4Å
646I96Very high90.2Very high0 Ų040.6 Ų40.60%023%0.225CC..EExtended strand (participates in β ladder)trans-139.4139.1-171.1-162.9174.9000111V485 V487 F498 I500 C603 S604 L605 A606 V635 L644 L648V485-I646 HydrophobicContact CG2-CD1 4.38Å; V487-I646 HydrophobicContact CG1-CD1 4.45Å; F498-I646 HydrophobicContact CE2-CG2 4.23Å; F498-I646 HydrophobicContact CZ-CG2 3.85Å; I500-I646 HydrophobicContact CD1-CD1 3.82Å; C603-I646 HydrophobicContact CB-CG2 4.22Å; S604-I646 PolarHBondContact O-N 2.66Å; L605-I646 WeakPolarHBondContact CA-O 3.49Å; A606-I646 PolarHBondContact N-O 2.73Å; V635-I646 WeakPolarHBondContact O-CA 3.33Å; V635-I646 VanDerWaalsContact O-CG1 3.29Å; V635-I646 WeakPolarHBondContact O-CG1 3.48Å; L644-I646 HydrophobicContact CD1-CB 4.44Å; L644-I646 HydrophobicContact CD2-CD1 4.23Å; L644-I646 HydrophobicContact CG-CB 4.16Å; I646-L648 HydrophobicContact CD1-CD2 4.27Å; I646-L648 HydrophobicContact CG1-CD2 4.49Å; I646-L648 HydrophobicContact CG2-CD2 4.21Å; I646-L648 HydrophobicContact CG2-CG 4.39Å
647F94.4Very high89.9Confident35 Ų3542.8 Ų42.815%0.15424%0.238CC..EExtended strand (participates in β ladder)trans-88.2126.3166.3-61.1-81.2000109.4A606 W607 G634 V635 D637 H660A606-F647 HydrophobicContact CB-CD1 3.8Å; A606-F647 HydrophobicContact CB-CD2 3.92Å; A606-F647 HydrophobicContact CB-CE1 3.63Å; A606-F647 HydrophobicContact CB-CE2 3.74Å; A606-F647 HydrophobicContact CB-CG 3.96Å; A606-F647 HydrophobicContact CB-CZ 3.6Å; W607-F647 HydrophobicContact CB-CE1 4.14Å; W607-F647 HydrophobicContact CB-CZ 4.29Å; W607-F647 AromaticContact CD1-CZ 3.61Å; W607-F647 HydrophobicContact CD2-CE1 4.48Å; W607-F647 AromaticContact CD2-CZ 3.89Å; W607-F647 HydrophobicContact CD2-CZ 3.89Å; W607-F647 AromaticContact CE2-CZ 3.9Å; W607-F647 HydrophobicContact CG-CE1 4.06Å; W607-F647 AromaticContact CG-CZ 3.71Å; W607-F647 HydrophobicContact CG-CZ 3.71Å; W607-F647 AromaticContact NE1-CZ 3.71Å; G634-F647 CarbonylContact C-O 3.44Å; G634-F647 WeakPolarHBondContact CA-O 3.24Å; V635-F647 HydrophobicContact CB-CB 4.15Å; V635-F647 HydrophobicContact CB-CD2 4.38Å; V635-F647 HydrophobicContact CG2-CB 4.31Å; V635-F647 PolarHBondContact N-O 3.03Å; V635-F647 PolarHBondContact O-N 2.88Å; D637-F647 HydrophobicContact CB-CD2 4.29Å; D637-F647 HydrophobicContact CB-CE2 3.91Å; F647-H660 AromaticContact CD1-CE1 3.99Å; F647-H660 AromaticContact CD1-ND1 3.62Å
648L94.8Very high89.7Confident0 Ų044.4 Ų44.40%024%0.242CC..EExtended strand (participates in β ladder)trans-100.1135.2175.1-63.4-179.8000111.6V487 V489 F498 L605 F623 L632 I646 F659V487-L648 HydrophobicContact CG2-CD2 3.91Å; V489-L648 HydrophobicContact CG2-CD1 4.01Å; F498-L648 HydrophobicContact CE2-CD1 3.92Å; F498-L648 HydrophobicContact CZ-CD1 3.89Å; F498-L648 HydrophobicContact CZ-CG 4.49Å; L605-L648 HydrophobicContact CD1-CB 4.2Å; L605-L648 HydrophobicContact CD1-CG 4.23Å; F623-L648 HydrophobicContact CE2-CD1 4.13Å; F623-L648 HydrophobicContact CZ-CD1 4.03Å; L632-L648 HydrophobicContact CD1-CD1 4.32Å; I646-L648 HydrophobicContact CD1-CD2 4.27Å; I646-L648 HydrophobicContact CG1-CD2 4.49Å; I646-L648 HydrophobicContact CG2-CD2 4.21Å; I646-L648 HydrophobicContact CG2-CG 4.39Å; L648-F659 HydrophobicContact CB-CB 4.34Å; L648-F659 HydrophobicContact CB-CD2 3.58Å; L648-F659 HydrophobicContact CB-CE2 4Å; L648-F659 HydrophobicContact CB-CG 4.01Å; L648-F659 HydrophobicContact CD1-CD2 3.98Å; L648-F659 HydrophobicContact CD1-CE2 4.18Å; L648-F659 HydrophobicContact CG-CD2 4.45Å; L648-F659 PolarHBondContact O-N 3.34Å
649C92.7Very high89.7Confident5 Ų541 Ų413%0.03423%0.226CC..EExtended strand (participates in β ladder)trans-132.5134.3174.7-171.60000110.7V633 V657 Y658V633-C649 PolarHBondContact N-O 3.08Å; V633-C649 PolarHBondContact O-N 2.86Å; C649-V657 WeakPolarHBondContact CA-O 3.44Å; C649-Y658 HydrophobicContact CB-CD1 3.99Å; C649-Y658 HydrophobicContact CB-CE1 3.94Å
650D90.6Very high89.6Confident16 Ų1640.1 Ų40.19%0.08622%0.224CC..EExtended strand (participates in β ladder)trans-93.2117.9166.7175.315.1000109.9K630 L632 S652 V657 F659K630-D650 WeakPolarHBondContact CE-OD2 3.13Å; K630-D650 IonicContact NZ-OD2 3.35Å; K630-D650 PolarHBondContact NZ-OD2 3.37Å; L632-D650 HydrophobicContact CD2-CB 3.97Å; D650-S652 VanDerWaalsContact CG-OG 3.31Å; D650-S652 WeakPolarHBondContact OD1-CB 3.39Å; D650-S652 PolarHBondContact OD1-N 3.03Å; D650-S652 PolarHBondContact OD1-OG 3.4Å; D650-S652 PolarHBondContact OD2-OG 2.92Å; D650-V657 HydrophobicContact CB-CB 4.34Å; D650-V657 PolarHBondContact N-O 2.88Å; D650-V657 PolarHBondContact O-N 3.24Å; D650-F659 HydrophobicContact CB-CE1 3.74Å; D650-F659 HydrophobicContact CB-CZ 4.22Å
651T87.3Confident89.5Confident15 Ų1543.4 Ų43.49%0.09224%0.239CC..  trans-109.313.5-179.370.70000112.3V633 S653 D656 A1010 R1013V633-T651 HydrophobicContact CB-CG2 4.09Å; V633-T651 HydrophobicContact CG2-CG2 3.58Å; T651-S653 VanDerWaalsContact C-N 3.28Å; T651-S653 PolarHBondContact O-N 2.68Å; T651-D656 WeakPolarHBondContact CB-OD1 3.22Å; T651-D656 WeakPolarHBondContact CG2-OD1 3.34Å; T651-A1010 HydrophobicContact CG2-CB 3.79Å; T651-R1013 PolarHBondContact O-NH2 3.03Å
652S82.2Confident89.8Confident91 Ų9140.1 Ų40.164%0.63622%0.222SC*.SBendtrans-73.4-17-177.9660000113.9D650D650-S652 VanDerWaalsContact CG-OG 3.31Å; D650-S652 WeakPolarHBondContact OD1-CB 3.39Å; D650-S652 PolarHBondContact OD1-N 3.03Å; D650-S652 PolarHBondContact OD1-OG 3.4Å; D650-S652 PolarHBondContact OD2-OG 2.92Å
653S80.4Confident90.1Very high47 Ų4738.3 Ų38.333%0.32920%0.203SC..SBendtrans-96.4-177.9177.5105.80000112.6T651 E655 R1013T651-S653 VanDerWaalsContact C-N 3.28Å; T651-S653 PolarHBondContact O-N 2.68Å; S653-E655 PolarHBondContact OG-N 2.95Å; S653-E655 PolarHBondContact OG-O 3.25Å; S653-R1013 PolarHBondContact O-NH1 2.96Å
654N79.6Confident90Very high121 Ų12144.6 Ų44.665%0.64723%0.226SC*.SBendtrans-71.6-17.5169.561.9-72.3000113.1R1013N654-R1013 WeakPolarHBondContact O-CD 3.47Å
655E83.2Confident89.9Confident135 Ų13549.2 Ų49.263%0.63125%0.254SS*.SBendtrans-118.1149.1174.9-74.1167.6-147.400110.6S653S653-E655 PolarHBondContact OG-N 2.95Å; S653-E655 PolarHBondContact OG-O 3.25Å
656D87.4Confident89.7Confident25 Ų2553.3 Ų53.313%0.13427%0.273CS..  trans-96.1113.1-175.2-64-63.7000110.5T651 Y658 A1010 R1013T651-D656 WeakPolarHBondContact CB-OD1 3.22Å; T651-D656 WeakPolarHBondContact CG2-OD1 3.34Å; D656-Y658 HydrophobicContact CB-CE2 4.09Å; D656-Y658 WeakPolarHBondContact O-CD2 3Å; D656-A1010 VanDerWaalsContact OD1-CB 3.24Å; D656-A1010 WeakPolarHBondContact OD1-CB 3.29Å; D656-A1010 WeakPolarHBondContact OD2-CA 3.3Å; D656-R1013 IonicContact OD1-CZ 3.48Å; D656-R1013 IonicContact OD1-NE 2.66Å; D656-R1013 PolarHBondContact OD1-NE 3.41Å; D656-R1013 IonicContact OD1-NH2 3.12Å; D656-R1013 PolarHBondContact OD1-NH2 2.86Å; D656-R1013 IonicContact OD2-CZ 2.78Å; D656-R1013 IonicContact OD2-NE 2.66Å; D656-R1013 PolarHBondContact OD2-NE 3.48Å; D656-R1013 IonicContact OD2-NH2 2.82Å
657V88Confident89.6Confident48 Ų4855.6 Ų55.629%0.29130%0.297SS..EExtended strand (participates in β ladder)trans-99103.2-168.4-177.60000111.1C649 D650 F659 V662C649-V657 WeakPolarHBondContact CA-O 3.44Å; D650-V657 HydrophobicContact CB-CB 4.34Å; D650-V657 PolarHBondContact N-O 2.88Å; D650-V657 PolarHBondContact O-N 3.24Å; V657-F659 WeakPolarHBondContact O-CD1 3.27Å; V657-V662 HydrophobicContact CG1-CG2 3.68Å
658Y90.6Very high89.6Confident66 Ų6654.2 Ų54.226%0.25929%0.291SS..EExtended strand (participates in β ladder)trans-81.6117.9-180-67.2-84.7000112.5C649 D656 H660 H661 V662 L1014C649-Y658 HydrophobicContact CB-CD1 3.99Å; C649-Y658 HydrophobicContact CB-CE1 3.94Å; D656-Y658 HydrophobicContact CB-CE2 4.09Å; D656-Y658 WeakPolarHBondContact O-CD2 3Å; Y658-H660 VanDerWaalsContact C-N 3.34Å; Y658-H660 AromaticContact CD1-CE1 3.81Å; Y658-H660 PolarHBondContact O-N 2.85Å; Y658-H661 WeakPolarHBondContact O-CB 3.29Å; Y658-H661 PolarHBondContact O-N 3.15Å; Y658-V662 PolarHBondContact O-N 3.43Å; Y658-V662 VanDerWaalsContact O-N 3.08Å; Y658-L1014 WeakPolarHBondContact OH-CD1 3.26Å
659F94.1Very high89.5Confident0 Ų054.5 Ų54.50%029%0.293CS..Hα-helixtrans-67.5-35.1-170.7-67.66.9000112.7L605 F623 L626 C627 L632 L648 D650 V657 H661 V662 L663L605-F659 HydrophobicContact CD1-CB 4.5Å; L605-F659 HydrophobicContact CD2-CB 4.36Å; F623-F659 HydrophobicContact CD2-CD2 4.26Å; F623-F659 AromaticContact CE2-CD2 3.96Å; F623-F659 HydrophobicContact CE2-CD2 3.96Å; L626-F659 VanDerWaalsContact C-CZ 3.43Å; L626-F659 HydrophobicContact CB-CD1 4.11Å; L626-F659 HydrophobicContact CB-CD2 4.11Å; L626-F659 HydrophobicContact CB-CE1 3.96Å; L626-F659 HydrophobicContact CB-CE2 3.95Å; L626-F659 HydrophobicContact CB-CG 4.2Å; L626-F659 HydrophobicContact CB-CZ 3.89Å; L626-F659 HydrophobicContact CD1-CB 4.48Å; L626-F659 HydrophobicContact CD1-CD1 4.45Å; L626-F659 HydrophobicContact CD1-CG 4.36Å; L626-F659 WeakPolarHBondContact O-CZ 3.48Å; C627-F659 HydrophobicContact CB-CE2 4.48Å; L632-F659 HydrophobicContact CD1-CE2 3.54Å; L632-F659 HydrophobicContact CD1-CZ 3.68Å; L632-F659 HydrophobicContact CD2-CE2 4.45Å; L632-F659 HydrophobicContact CD2-CZ 3.72Å; L632-F659 HydrophobicContact CG-CZ 4.36Å; L648-F659 HydrophobicContact CB-CB 4.34Å; L648-F659 HydrophobicContact CB-CD2 3.58Å; L648-F659 HydrophobicContact CB-CE2 4Å; L648-F659 HydrophobicContact CB-CG 4.01Å; L648-F659 HydrophobicContact CD1-CD2 3.98Å; L648-F659 HydrophobicContact CD1-CE2 4.18Å; L648-F659 HydrophobicContact CG-CD2 4.45Å; L648-F659 PolarHBondContact O-N 3.34Å; D650-F659 HydrophobicContact CB-CE1 3.74Å; D650-F659 HydrophobicContact CB-CZ 4.22Å; V657-F659 WeakPolarHBondContact O-CD1 3.27Å; F659-H661 VanDerWaalsContact C-N 3.26Å; F659-H661 PolarHBondContact O-N 3.47Å; F659-V662 PolarHBondContact O-N 2.8Å; F659-L663 WeakPolarHBondContact O-CG 3.29Å; F659-L663 PolarHBondContact O-N 3.36Å
660H89.8Confident89.4Confident54 Ų5457.5 Ų57.525%0.2531%0.308CS..Hα-helixtrans-64.4-30.9174.469.9-97.5000112.2V608 F647 Y658 R664V608-H660 HydrophobicContact CG1-CB 3.91Å; F647-H660 AromaticContact CD1-CE1 3.99Å; F647-H660 AromaticContact CD1-ND1 3.62Å; Y658-H660 VanDerWaalsContact C-N 3.34Å; Y658-H660 AromaticContact CD1-CE1 3.81Å; Y658-H660 PolarHBondContact O-N 2.85Å; H660-R664 VanDerWaalsContact O-CB 3.28Å; H660-R664 WeakPolarHBondContact O-CB 3.41Å; H660-R664 PolarHBondContact O-N 3.19Å
661H88.6Confident89.3Confident105 Ų10560 Ų6049%0.48632%0.324SS..Hα-helixtrans-73.1-49174.5179.291.9000110.8Y658 F659 L663 R664 T665Y658-H661 WeakPolarHBondContact O-CB 3.29Å; Y658-H661 PolarHBondContact O-N 3.15Å; F659-H661 VanDerWaalsContact C-N 3.26Å; F659-H661 PolarHBondContact O-N 3.47Å; H661-L663 PolarHBondContact O-N 2.78Å; H661-R664 WeakPolarHBondContact O-CB 3.4Å; H661-R664 PolarHBondContact O-N 2.77Å; H661-R664 VanDerWaalsContact O-N 3.14Å; H661-T665 PolarHBondContact CE1-OG1 2.79Å; H661-T665 PolarHBondContact NE2-OG1 3.4Å; H661-T665 WeakPolarHBondContact O-CB 3.5Å; H661-T665 PolarHBondContact O-N 2.94Å; H661-T665 PolarHBondContact O-OG1 3.38Å
662V93.4Very high89.2Confident26 Ų2660.5 Ų60.516%0.15833%0.328CS..Hα-helixtrans-58.6-50-179.5178.90000111.1H622 L626 V657 Y658 F659 R664 T665 E666H622-V662 VanDerWaalsContact CE1-CG1 3.48Å; H622-V662 WeakPolarHBondContact CE1-CG1 3.48Å; L626-V662 HydrophobicContact CD1-CB 4.08Å; L626-V662 HydrophobicContact CD1-CG1 3.93Å; L626-V662 HydrophobicContact CD2-CG1 4.23Å; V657-V662 HydrophobicContact CG1-CG2 3.68Å; Y658-V662 PolarHBondContact O-N 3.43Å; Y658-V662 VanDerWaalsContact O-N 3.08Å; F659-V662 PolarHBondContact O-N 2.8Å; V662-R664 VanDerWaalsContact C-N 3.26Å; V662-R664 PolarHBondContact O-N 3.07Å; V662-T665 PolarHBondContact O-N 3.4Å; V662-E666 PolarHBondContact O-N 2.9Å; V662-E666 VanDerWaalsContact O-N 3.08Å
663L93.4Very high88.8Confident0 Ų066.6 Ų66.60%034%0.337CS..Hα-helixtrans-62.5-32.3178.2-66.9175.3000112.4P495 L605 F623 F659 H661 H668 A669P495-L663 HydrophobicContact CB-CD1 4.22Å; P495-L663 HydrophobicContact CG-CD1 4.17Å; L605-L663 HydrophobicContact CD2-CD1 3.74Å; F623-L663 HydrophobicContact CB-CD1 4.5Å; F623-L663 HydrophobicContact CD2-CD1 4.07Å; F659-L663 WeakPolarHBondContact O-CG 3.29Å; F659-L663 PolarHBondContact O-N 3.36Å; H661-L663 PolarHBondContact O-N 2.78Å; L663-H668 HydrophobicContact CB-CB 4.27Å; L663-H668 HydrophobicContact CD2-CB 4.05Å; L663-H668 CarbonylContact O-C 3.53Å; L663-H668 WeakPolarHBondContact O-CA 3.41Å; L663-H668 VanDerWaalsContact O-CB 3.31Å; L663-H668 WeakPolarHBondContact O-CB 3.49Å; L663-H668 PolarHBondContact O-N 2.96Å; L663-A669 HydrophobicContact CB-CB 3.79Å; L663-A669 PolarHBondContact O-N 3.33Å
664R92.9Very high89Confident143 Ų14371.8 Ų71.854%0.5436%0.356SS..Hα-helixtrans-69.4-49.6173.7179.8-163.1176.4170.7-4.1111.7H660 H661 V662 E666 G667 V671H660-R664 VanDerWaalsContact O-CB 3.28Å; H660-R664 WeakPolarHBondContact O-CB 3.41Å; H660-R664 PolarHBondContact O-N 3.19Å; H661-R664 WeakPolarHBondContact O-CB 3.4Å; H661-R664 PolarHBondContact O-N 2.77Å; H661-R664 VanDerWaalsContact O-N 3.14Å; V662-R664 VanDerWaalsContact C-N 3.26Å; V662-R664 PolarHBondContact O-N 3.07Å; R664-E666 VanDerWaalsContact C-N 3.27Å; R664-E666 PolarHBondContact O-N 2.79Å; R664-G667 PolarHBondContact O-N 2.81Å; R664-V671 HydrophobicContact CG-CG2 4.1Å
665T91.8Very high89.5Confident96 Ų9666.7 Ų66.759%0.58933%0.328SS*.Hα-helixtrans-66.1-29.7-173.7-640000112.1H661 V662 G667H661-T665 PolarHBondContact CE1-OG1 2.79Å; H661-T665 PolarHBondContact NE2-OG1 3.4Å; H661-T665 WeakPolarHBondContact O-CB 3.5Å; H661-T665 PolarHBondContact O-N 2.94Å; H661-T665 PolarHBondContact O-OG1 3.38Å; V662-T665 PolarHBondContact O-N 3.4Å; T665-G667 VanDerWaalsContact C-N 3.32Å
666E92.9Very high89.3Confident91 Ų9163 Ų6343%0.42532%0.322SS..THydrogen-bonded Turntrans-85.44.7172.1-65.4-171.7176.300114.9H622 V662 R664 H668H622-E666 VanDerWaalsContact CE1-CD 3.42Å; H622-E666 IonicContact CE1-OE1 3.44Å; H622-E666 PolarHBondContact CE1-OE1 3.27Å; H622-E666 IonicContact CE1-OE2 3.11Å; H622-E666 PolarHBondContact CE1-OE2 2.85Å; H622-E666 IonicContact CG-OE2 2.72Å; H622-E666 IonicContact ND1-OE1 2.68Å; H622-E666 IonicContact ND1-OE2 3.53Å; H622-E666 PolarHBondContact ND1-OE2 3.07Å; V662-E666 PolarHBondContact O-N 2.9Å; V662-E666 VanDerWaalsContact O-N 3.08Å; R664-E666 VanDerWaalsContact C-N 3.27Å; R664-E666 PolarHBondContact O-N 2.79Å; E666-H668 VanDerWaalsContact C-N 3.27Å; E666-H668 PolarHBondContact O-N 3.12Å; E666-H668 IonicContact OE2-CD2 3.59Å; E666-H668 IonicContact OE2-NE2 3.56Å
667G92.8Very high89Confident48 Ų4864.6 Ų64.650%0.49533%0.333SS..THydrogen-bonded Turntrans71.815.9-179.900000114.8A611 R664 T665A611-G667 VanDerWaalsContact CB-O 3.3Å; A611-G667 WeakPolarHBondContact CB-O 3.28Å; R664-G667 PolarHBondContact O-N 2.81Å; T665-G667 VanDerWaalsContact C-N 3.32Å
668H94.2Very high88.6Confident7 Ų763 Ų633%0.03232%0.324CS..SBendtrans-79.3-31.7175.2-76.9-47.7000113.3A611 W615 R618 A619 L663 E666A611-H668 PolarHBondContact N-O 2.93Å; A611-H668 VanDerWaalsContact N-O 3.11Å; W615-H668 WeakPolarHBondContact CZ3-O 3.12Å; R618-H668 PolarHBondContact NH1-CE1 3.01Å; R618-H668 PolarHBondContact NH1-NE2 2.98Å; R618-H668 VanDerWaalsContact NH1-NE2 3.15Å; A619-H668 HydrophobicContact CB-CB 3.8Å; A619-H668 WeakPolarHBondContact CB-ND1 3.3Å; A619-H668 PolarHBondContact N-CE1 3.25Å; L663-H668 HydrophobicContact CB-CB 4.27Å; L663-H668 HydrophobicContact CD2-CB 4.05Å; L663-H668 CarbonylContact O-C 3.53Å; L663-H668 WeakPolarHBondContact O-CA 3.41Å; L663-H668 VanDerWaalsContact O-CB 3.31Å; L663-H668 WeakPolarHBondContact O-CB 3.49Å; L663-H668 PolarHBondContact O-N 2.96Å; E666-H668 VanDerWaalsContact C-N 3.27Å; E666-H668 PolarHBondContact O-N 3.12Å; E666-H668 IonicContact OE2-CD2 3.59Å; E666-H668 IonicContact OE2-NE2 3.56Å
669A93.4Very high88.2Confident5 Ų566.1 Ų66.14%0.04134%0.339CS..EExtended strand (participates in β ladder)trans-126.3146.5-175.100000112.8V608 R609 W615 L663V608-A669 HydrophobicContact CB-CB 4.09Å; V608-A669 HydrophobicContact CG1-CB 4.15Å; R609-A669 CarbonylContact O-C 3.57Å; R609-A669 VanDerWaalsContact O-CA 3.3Å; R609-A669 WeakPolarHBondContact O-CA 3.46Å; W615-A669 HydrophobicContact CH2-CB 3.78Å; W615-A669 HydrophobicContact CZ3-CB 3.91Å; L663-A669 HydrophobicContact CB-CB 3.79Å; L663-A669 PolarHBondContact O-N 3.33Å
670I90.4Very high87.5Confident69 Ų6966.9 Ų66.935%0.35435%0.347SS..EExtended strand (participates in β ladder)trans-109.2135.5167.4-69.1172.3000108.8R609 A611R609-I670 HydrophobicContact CG-CB 4.22Å; R609-I670 PolarHBondContact N-O 3.44Å; R609-I670 PolarHBondContact O-N 2.86Å; A611-I670 HydrophobicContact CB-CD1 4.28Å; A611-I670 HydrophobicContact CB-CG1 4.22Å
671V88.8Confident87.3Confident68 Ų6864.9 Ų64.941%0.41234%0.337SS..EExtended strand (participates in β ladder)trans-71.2131.3177.2-178.30000110W607 R664W607-V671 CarbonylContact O-C 3.6Å; W607-V671 WeakPolarHBondContact O-CA 3.43Å; R664-V671 HydrophobicContact CG-CG2 4.1Å
672C85.2Confident87Confident26 Ų2667.6 Ų67.618%0.17634%0.344CS..  trans-98.3164.2174.2-62.60000110.9W607 R609 E674W607-C672 PolarHBondContact O-N 3.4Å; R609-C672 WeakPolarHBondContact CG-SG 3.48Å; C672-E674 WeakPolarHBondContact CB-O 3.18Å
673R74.8Confident86.3Confident218 Ų21872.6 Ų72.682%0.82337%0.369SS*.SBendtrans-86-22.7172.2-67.4-176.9176.4-128.90.6113.1
674E84.9Confident85.6Confident156 Ų15675.9 Ų75.973%0.72939%0.386SS*.SBendtrans-146.7157.8-171.3-71.3160-153.900107.4C672C672-E674 WeakPolarHBondContact CB-O 3.18Å
675N88.1Confident85.1Confident14 Ų1469.9 Ų69.98%0.07537%0.365CS..PPolyproline II helixtrans-77.3125.6176.7-69.8-61.2000111.3A606 W607 D637 E638 I640 N645A606-N675 WeakPolarHBondContact CA-OD1 3.07Å; W607-N675 PolarHBondContact N-OD1 3.48Å; D637-N675 PolarHBondContact OD2-ND2 2.87Å; E638-N675 PolarHBondContact OE1-ND2 2.86Å; I640-N675 HydrophobicContact CD1-CB 3.66Å; N645-N675 HydrophobicContact CB-CB 4.4Å
676A80.9Confident84.5Confident59 Ų5965.4 Ų65.449%0.48834%0.338SS..PPolyproline II helixtrans-82131.4174.200000110.6S678A676-S678 PolarHBondContact O-N 3.45Å
677P80.3Confident83.9Confident58 Ų5861.6 Ų61.638%0.37732%0.32SS..PPolyproline II helixtrans-56.1130.2172.4-22.831000111.5I640 K679I640-P677 HydrophobicContact CG2-CB 4.27Å; I640-P677 HydrophobicContact CG2-CG 4Å; P677-K679 PolarHBondContact O-N 2.85Å
678S79.2Confident83.4Confident13 Ų1361.3 Ų61.39%0.09131%0.313CS..PPolyproline II helixtrans-67.7116.4-178.4-179.20000111.4S496 A676 G680 F681 R682S496-S678 WeakPolarHBondContact O-CB 3.3Å; S496-S678 PolarHBondContact O-OG 3.35Å; A676-S678 PolarHBondContact O-N 3.45Å; S678-G680 VanDerWaalsContact C-N 3.33Å; S678-G680 PolarHBondContact O-N 3.29Å; S678-F681 PolarHBondContact O-N 2.95Å; S678-R682 PolarHBondContact O-N 3.27Å; S678-R682 VanDerWaalsContact O-N 3.15Å
679K81.8Confident82.8Confident132 Ų13265.5 Ų65.557%0.57434%0.335SS*.Hα-helixtrans-50.1-52.9175.8-69.4-175.8177.3-1790110.9E613 P677 F681 R682 D683E613-K679 IonicContact OE1-NZ 3.9Å; P677-K679 PolarHBondContact O-N 2.85Å; K679-F681 VanDerWaalsContact C-N 3.28Å; K679-F681 PolarHBondContact O-N 3.36Å; K679-R682 WeakPolarHBondContact O-CA 3.44Å; K679-R682 WeakPolarHBondContact O-CB 3.45Å; K679-R682 PolarHBondContact O-N 3.47Å; K679-D683 VanDerWaalsContact O-CG 3.26Å; K679-D683 PolarHBondContact O-N 2.9Å; K679-D683 VanDerWaalsContact O-OD2 3.13Å
680G81.1Confident82.2Confident17 Ų1766.5 Ų66.518%0.17534%0.338CS..Hα-helixtrans-61.9-28.6-176.200000115.1Q497 S678 L684Q497-G680 PolarHBondContact NE2-O 2.86Å; Q497-G680 VanDerWaalsContact NE2-O 3.09Å; S678-G680 VanDerWaalsContact C-N 3.33Å; S678-G680 PolarHBondContact O-N 3.29Å; G680-L684 PolarHBondContact O-N 3.16Å
681F85.4Confident81.7Confident11 Ų1163.4 Ų63.45%0.04832%0.322CS..Hα-helixtrans-82.9-22172.6-76-48.9000113.9Q497 Y499 P602 C603 I643 S678 K679 L684 N685Q497-F681 HydrophobicContact CB-CE2 4.22Å; Q497-F681 HydrophobicContact CB-CZ 4.38Å; Q497-F681 HydrophobicContact CG-CD1 3.92Å; Q497-F681 HydrophobicContact CG-CD2 3.98Å; Q497-F681 HydrophobicContact CG-CE1 3.62Å; Q497-F681 HydrophobicContact CG-CE2 3.72Å; Q497-F681 HydrophobicContact CG-CG 4.08Å; Q497-F681 HydrophobicContact CG-CZ 3.52Å; Y499-F681 HydrophobicContact CE1-CE1 4.45Å; Y499-F681 AromaticContact CE2-CE1 3.95Å; Y499-F681 HydrophobicContact CE2-CE1 3.95Å; Y499-F681 HydrophobicContact CE2-CZ 4.24Å; Y499-F681 AromaticContact CZ-CE1 3.76Å; P602-F681 HydrophobicContact CB-CD1 4.43Å; P602-F681 HydrophobicContact CB-CE1 3.77Å; P602-F681 HydrophobicContact CB-CE2 4Å; P602-F681 HydrophobicContact CB-CZ 3.52Å; C603-F681 WeakPolarHBondContact O-CE2 3.22Å; I643-F681 HydrophobicContact CB-CD2 4.42Å; I643-F681 HydrophobicContact CD1-CB 3.66Å; I643-F681 HydrophobicContact CD1-CD1 4.18Å; I643-F681 HydrophobicContact CD1-CD2 3.64Å; I643-F681 HydrophobicContact CD1-CE2 4.26Å; I643-F681 HydrophobicContact CD1-CG 3.59Å; I643-F681 HydrophobicContact CG1-CB 3.99Å; I643-F681 HydrophobicContact CG1-CD2 3.89Å; I643-F681 HydrophobicContact CG1-CG 4.16Å; I643-F681 HydrophobicContact CG2-CD2 3.64Å; I643-F681 HydrophobicContact CG2-CE2 3.75Å; S678-F681 PolarHBondContact O-N 2.95Å; K679-F681 VanDerWaalsContact C-N 3.28Å; K679-F681 PolarHBondContact O-N 3.36Å; F681-L684 CarbonylContact O-C 3.55Å; F681-N685 HydrophobicContact CD1-CB 4.47Å; F681-N685 WeakPolarHBondContact O-CB 3.5Å; F681-N685 PolarHBondContact O-N 2.9Å
682R80.5Confident80.8Confident163 Ų16362.6 Ų62.662%0.61532%0.32SS*.Hα-helixtrans-73.3-35.6168-72.1-177.1159-146.9-6.6111.4D641 S678 K679D641-R682 IonicContact OD1-NH2 2.62Å; D641-R682 IonicContact OD2-CZ 2.75Å; D641-R682 IonicContact OD2-NE 2.71Å; D641-R682 PolarHBondContact OD2-NE 3.47Å; D641-R682 IonicContact OD2-NH2 2.61Å; D641-R682 PolarHBondContact OD2-NH2 3.38Å; S678-R682 PolarHBondContact O-N 3.27Å; S678-R682 VanDerWaalsContact O-N 3.15Å; K679-R682 WeakPolarHBondContact O-CA 3.44Å; K679-R682 WeakPolarHBondContact O-CB 3.45Å; K679-R682 PolarHBondContact O-N 3.47Å
683D80Confident79.4Confident131 Ų13165.5 Ų65.570%0.70134%0.34SS*.Hα-helixtrans-69.2-43.8173.5-56.1-37.9000111.4K679K679-D683 VanDerWaalsContact O-CG 3.26Å; K679-D683 PolarHBondContact O-N 2.9Å; K679-D683 VanDerWaalsContact O-OD2 3.13Å
684L78.1Confident78Confident68 Ų6859.7 Ų59.736%0.35633%0.333SS..  trans-153116.1173.5-165.573.3000113.4I578 G680 F681 P686 L689I578-L684 HydrophobicContact CD1-CD2 3.99Å; G680-L684 PolarHBondContact O-N 3.16Å; F681-L684 CarbonylContact O-C 3.55Å; L684-P686 HydrophobicContact CD2-CG 4.03Å; L684-P686 HydrophobicContact CG-CG 4.03Å; L684-L689 HydrophobicContact CD1-CD1 4.36Å
685N83Confident75.4Confident17 Ų1754.9 Ų54.99%0.09133%0.325CS..  trans-118.992.2163.9-177.6-11.2000110.2I643 F681 L687 A688 L689I643-N685 VanDerWaalsContact CD1-ND2 3.27Å; I643-N685 WeakPolarHBondContact CD1-ND2 3.27Å; F681-N685 HydrophobicContact CD1-CB 4.47Å; F681-N685 WeakPolarHBondContact O-CB 3.5Å; F681-N685 PolarHBondContact O-N 2.9Å; N685-L687 VanDerWaalsContact C-N 3.27Å; N685-L687 PolarHBondContact O-N 3.42Å; N685-L687 PolarHBondContact OD1-N 2.66Å; N685-A688 HydrophobicContact CB-CB 3.89Å; N685-A688 VanDerWaalsContact CG-CB 3.49Å; N685-A688 WeakPolarHBondContact O-CB 3.33Å; N685-A688 PolarHBondContact O-N 2.82Å; N685-A688 VanDerWaalsContact O-N 3.12Å; N685-A688 PolarHBondContact OD1-N 3.19Å; N685-L689 PolarHBondContact O-N 3.21Å
686P78.8Confident72.6Confident3 Ų363 Ų632%0.01937%0.365CS..Hα-helixtrans-61.3-33.6-178.1-22.633.5000113.3F571 I578 L684 A688 L689 Y690F571-P686 HydrophobicContact CB-CB 4.24Å; F571-P686 HydrophobicContact CD1-CB 4.02Å; F571-P686 HydrophobicContact CD2-CB 3.53Å; F571-P686 HydrophobicContact CD2-CG 4.06Å; F571-P686 HydrophobicContact CE1-CB 4.25Å; F571-P686 HydrophobicContact CE2-CB 3.78Å; F571-P686 HydrophobicContact CE2-CG 4.24Å; F571-P686 HydrophobicContact CG-CB 3.66Å; F571-P686 HydrophobicContact CZ-CB 4.14Å; I578-P686 HydrophobicContact CD1-CG 3.85Å; I578-P686 HydrophobicContact CG1-CG 4.42Å; L684-P686 HydrophobicContact CD2-CG 4.03Å; L684-P686 HydrophobicContact CG-CG 4.03Å; P686-A688 VanDerWaalsContact C-N 3.33Å; P686-A688 PolarHBondContact O-N 3.39Å; P686-L689 PolarHBondContact O-N 2.82Å; P686-Y690 HydrophobicContact CB-CD2 4.39Å; P686-Y690 HydrophobicContact CB-CE2 4.29Å; P686-Y690 WeakPolarHBondContact O-CD2 3.38Å; P686-Y690 PolarHBondContact O-N 2.94Å
687L79.8Confident70.3Confident10 Ų1065.5 Ų65.55%0.05239%0.386CS..Hα-helixtrans-64.2-41.3176.9-16973.1000110.6F571 A598 A600 P602 N685 L689 Y690 T691F571-L687 HydrophobicContact CE1-CB 4.23Å; F571-L687 HydrophobicContact CE1-CD1 3.99Å; F571-L687 HydrophobicContact CZ-CB 4.01Å; F571-L687 HydrophobicContact CZ-CD1 4.2Å; A598-L687 HydrophobicContact CB-CD1 3.85Å; A600-L687 VanDerWaalsContact O-CD2 3.31Å; A600-L687 WeakPolarHBondContact O-CD2 3.28Å; P602-L687 HydrophobicContact CG-CD2 4.26Å; N685-L687 VanDerWaalsContact C-N 3.27Å; N685-L687 PolarHBondContact O-N 3.42Å; N685-L687 PolarHBondContact OD1-N 2.66Å; L687-L689 VanDerWaalsContact C-N 3.3Å; L687-L689 PolarHBondContact O-N 3.03Å; L687-Y690 PolarHBondContact O-N 3.44Å; L687-T691 HydrophobicContact CD1-CG2 3.67Å; L687-T691 HydrophobicContact CG-CG2 4.39Å; L687-T691 PolarHBondContact O-N 3.44Å; L687-T691 PolarHBondContact O-OG1 2.89Å
688A81.9Confident67.8Low42 Ų4265.8 Ų65.835%0.34740%0.399SS..Hα-helixtrans-61.3-37.3177.100000113R475 N685 P686R475-A688 PolarHBondContact NH2-O 3.48Å; R475-A688 VanDerWaalsContact NH2-O 3.15Å; N685-A688 HydrophobicContact CB-CB 3.89Å; N685-A688 VanDerWaalsContact CG-CB 3.49Å; N685-A688 WeakPolarHBondContact O-CB 3.33Å; N685-A688 PolarHBondContact O-N 2.82Å; N685-A688 VanDerWaalsContact O-N 3.12Å; N685-A688 PolarHBondContact OD1-N 3.19Å; P686-A688 VanDerWaalsContact C-N 3.33Å; P686-A688 PolarHBondContact O-N 3.39Å
689L81.6Confident65.4Low95 Ų9572.4 Ų72.450%0.49743%0.433SS..Hα-helixtrans-67.6-43.1178.9-62.5175.1000112.7L684 N685 P686 L687L684-L689 HydrophobicContact CD1-CD1 4.36Å; N685-L689 PolarHBondContact O-N 3.21Å; P686-L689 PolarHBondContact O-N 2.82Å; L687-L689 VanDerWaalsContact C-N 3.3Å; L687-L689 PolarHBondContact O-N 3.03Å
690Y81.8Confident62.8Low27 Ų2772.8 Ų72.811%0.10645%0.447CS..Hα-helixtrans-107.70.7-162.9-56.8-52.9000116.2K472 I558 H560 F571 P686 L687K472-Y690 WeakPolarHBondContact CA-O 3.43Å; I558-Y690 HydrophobicContact CB-CD2 4.44Å; I558-Y690 HydrophobicContact CB-CG 4.48Å; I558-Y690 HydrophobicContact CD1-CG 4.44Å; I558-Y690 HydrophobicContact CG2-CD1 3.99Å; I558-Y690 HydrophobicContact CG2-CD2 4.03Å; I558-Y690 HydrophobicContact CG2-CG 3.71Å; H560-Y690 WeakPolarHBondContact CA-OH 3.48Å; H560-Y690 AromaticContact ND1-CE2 3.71Å; H560-Y690 AromaticContact ND1-CZ 3.73Å; H560-Y690 PolarHBondContact ND1-OH 3.15Å; H560-Y690 PolarHBondContact O-OH 3.27Å; F571-Y690 HydrophobicContact CD1-CD2 4.3Å; P686-Y690 HydrophobicContact CB-CD2 4.39Å; P686-Y690 HydrophobicContact CB-CE2 4.29Å; P686-Y690 WeakPolarHBondContact O-CD2 3.38Å; P686-Y690 PolarHBondContact O-N 2.94Å; L687-Y690 PolarHBondContact O-N 3.44Å
691T78.8Confident60.1Low3 Ų376.9 Ų76.92%0.01847%0.468CS..EExtended strand (participates in β ladder)trans-131.4147.1-176.864.50000112.6L473 R475 A598 L687L473-T691 HydrophobicContact CB-CG2 4.15Å; L473-T691 WeakPolarHBondContact O-CA 3.34Å; L473-T691 WeakPolarHBondContact O-CB 3.44Å; R475-T691 WeakPolarHBondContact CD-OG1 3.38Å; R475-T691 WeakPolarHBondContact CG-OG1 3.36Å; R475-T691 PolarHBondContact NE-O 2.86Å; R475-T691 PolarHBondContact NE-OG1 3.01Å; R475-T691 PolarHBondContact NH2-O 2.92Å; A598-T691 HydrophobicContact CB-CG2 4.31Å; L687-T691 HydrophobicContact CD1-CG2 3.67Å; L687-T691 HydrophobicContact CG-CG2 4.39Å; L687-T691 PolarHBondContact O-N 3.44Å; L687-T691 PolarHBondContact O-OG1 2.89Å
692S70.4Confident57.3Low51 Ų5184.7 Ų84.736%0.35751%0.51SS..EExtended strand (participates in β ladder)trans-88.9143.9-179.3-62.90000112K472 L473 R475K472-S692 VanDerWaalsContact CD-OG 3.29Å; K472-S692 WeakPolarHBondContact CD-OG 3.35Å; L473-S692 PolarHBondContact O-N 2.84Å; L473-S692 VanDerWaalsContact O-N 3.08Å; R475-S692 PolarHBondContact N-O 2.88Å
693S56.1Low54.6Low87 Ų8781.5 Ų81.561%0.60851%0.508SS*.  trans-71.6135.3162.844.30000110.3G695S693-G695 PolarHBondContact O-N 3.32Å
694S44.8Very low52.1Low96 Ų9682.9 Ų82.967%0.67151%0.511SS*.SBendtrans-83.347.4-177.160.70000113.1
695G31.9Very low49.7Very low55 Ų5587 Ų8757%0.56753%0.532SS*.SBendtrans-147.6125.4-174.500000112.6S693S693-G695 PolarHBondContact O-N 3.32Å
696M27.6Very low46.8Very low186 Ų18689.5 Ų89.592%0.91656%0.562SS**  trans38.9102.7177.1-60.1-158.8103.800117.5G698M696-G698 PolarHBondContact O-N 2.92Å
697A32.9Very low44.6Very low111 Ų11194.9 Ų94.992%0.91760%0.597SS**  trans-71.4110.5142.200000107.5
698G27.9Very low42Very low63 Ų6399.9 Ų99.965%0.64963%0.633SS**  trans-110.6140.6167.800000109.1M696M696-G698 PolarHBondContact O-N 2.92Å
699D29.4Very low39.3Very low152 Ų152106.3 Ų106.381%0.81366%0.656SS**  trans-61.8137-174.3-78.4-60000113.3
700T26.4Very low36.6Very low141 Ų141111.1 Ų111.187%0.86568%0.676SS**  trans-143105.3149.4-59.60000106.9
701V25.2Very low33.8Very low102 Ų102117.5 Ų117.562%0.61871%0.707SS**  trans-74.3134.3-168.7172.80000111.5T703V701-T703 VanDerWaalsContact CG1-OG1 3.28Å; V701-T703 WeakPolarHBondContact CG1-OG1 3.2Å
702L27.4Very low31.2Very low175 Ų175123.6 Ų123.692%0.91675%0.748SS**  trans-136.587.2154.5-107.6173.2000109.8
703T23.2Very low28.9Very low96 Ų96128.2 Ų128.259%0.58976%0.762SS**  trans-66157.6160.36.60000109.8V701V701-T703 VanDerWaalsContact CG1-OG1 3.28Å; V701-T703 WeakPolarHBondContact CG1-OG1 3.2Å
704E27.5Very low27.4Very low161 Ų161132 Ų13275%0.75278%0.775SS**  cis-132.1139.117.6-71.7-164.9126.600112.6
705L26.7Very low26.4Very low153 Ų153134.9 Ų134.980%0.80178%0.778SS**  64.3139.9103.1-50.2174.6000115.8
706G23.7Very low26.1Very low70 Ų70139.9 Ų139.972%0.72279%0.792SS**  cis163.3-166.9-0.500000109.3
707P32.1Very low26Very low117 Ų117142.4 Ų142.476%0.7679%0.791SS**  cis-133.2-179.8-25.141.7-26.3000113.9
708S24.1Very low25.7Very low115 Ų115145.5 Ų145.580%0.80479%0.786SS**  trans71.7150.7167.384.50000117.7
709Q26.1Very low25.7Very low177 Ų177147.2 Ų147.283%0.82779%0.786SS**  cis-119.5152.2-5.7-73.7-177.2-20.700110.8
710Q25.4Very low25.3Very low196 Ų196149.8 Ų149.892%0.91679%0.785SS**  trans-139.7117.1171-170.2164-800109.4
711Q23Very low25.1Very low161 Ų161150.3 Ų150.375%0.75278%0.777SS**  trans-142.8113.3175.1-80.9-173.1-24.400109.9
712C22.5Very low25.2Very low130 Ų130153.7 Ų153.788%0.87879%0.786SS**  -152.4143.9126-153.50000107.4
713F22.7Very low25Very low148 Ų148151 Ų15165%0.64978%0.782SS**  trans-82.5142.3-155.4-69.9-106.9000113.9E715F713-E715 HydrophobicContact CD1-CG 4.47Å
714D24.7Very low25.1Very low168 Ų168153.4 Ų153.490%0.89878%0.784SS**  trans-101.5122.2145.5-99.4-51.8000107.1
715E25Very low24.9Very low155 Ų155155.2 Ų155.272%0.72479%0.793SS**  trans-135.3143.2160.8-66.3-174.8140.400105F713F713-E715 HydrophobicContact CD1-CG 4.47Å
716D24.1Very low24.7Very low160 Ų160152.9 Ų152.986%0.85678%0.781SS**  cis-117.8136.226.3-57.4-67.6000115.2
717R25.9Very low24.8Very low240 Ų240157.4 Ų157.491%0.90679%0.787SS**  trans-164.283.8139.7-148.1171.7-170.1169.13.6114.9P719R717-P719 WeakPolarHBondContact O-CD 3.38Å
718E25.9Very low24.4Very low175 Ų175157.7 Ų157.782%0.81878%0.782SS**  trans-67135167.3-103.9-85.5113.900112
719P28Very low24.4Very low100 Ų100158.1 Ų158.165%0.64978%0.776SS**  trans-131130.217437.2-21.3000115.1R717R717-P719 WeakPolarHBondContact O-CD 3.38Å
720R22.3Very low24.4Very low205 Ų205156.5 Ų156.577%0.77477%0.768SS**  trans-137.8131.2156.7-82172.9-171.4-100.7-1108.3
721Q22.8Very low24.4Very low152 Ų152154.3 Ų154.371%0.7176%0.755SS**  59.813367.6-68.7-176.3-9.200112.3
722Q25.4Very low24.6Very low173 Ų173151.1 Ų151.181%0.80875%0.751SS**  cis-167156.3-12.9-133.6175.50.200107.2
723S24.2Very low24.6Very low118 Ų118150.1 Ų150.183%0.82575%0.745SS**  trans-144.3112.9162.858.70000110.8
724K25.2Very low24.7Very low148 Ų148148.7 Ų148.764%0.64375%0.753SS**  trans-71.6155.3161.8-65.3166.6128.5-139.50109.2D726K724-D726 WeakPolarHBondContact CE-OD1 3.48Å; K724-D726 VanDerWaalsContact NZ-CG 3.25Å; K724-D726 IonicContact NZ-OD1 2.71Å; K724-D726 PolarHBondContact NZ-OD1 3.46Å; K724-D726 IonicContact NZ-OD2 3.38Å; K724-D726 PolarHBondContact NZ-OD2 3.29Å
725E23.4Very low24.7Very low199 Ų199148.5 Ų148.593%0.9375%0.747SS**  -122.7145124.3-74.3-168.1132.500107.6
726D22.4Very low24.7Very low104 Ų104147.2 Ų147.256%0.55674%0.744SS**  trans-97.3157.6-176.5-68.4-74.2000110.7K724K724-D726 WeakPolarHBondContact CE-OD1 3.48Å; K724-D726 VanDerWaalsContact NZ-CG 3.25Å; K724-D726 IonicContact NZ-OD1 2.71Å; K724-D726 PolarHBondContact NZ-OD1 3.46Å; K724-D726 IonicContact NZ-OD2 3.38Å; K724-D726 PolarHBondContact NZ-OD2 3.29Å
727I25.6Very low24.8Very low164 Ų164147.7 Ų147.784%0.84174%0.739SS**  trans-166.3114.8142.1-98.7148.3000109.4
728N23.4Very low24.7Very low124 Ų124141 Ų14166%0.66373%0.729SS**  trans9.5150.4134.2-68.848.8000119.5
729D25.1Very low24.6Very low124 Ų124136 Ų13666%0.66372%0.724SS**  cis-158178.311.1-124.8-38.3000112.3
730E25.8Very low24.4Very low142 Ų142137.9 Ų137.966%0.66473%0.729SS**  trans17.4149.6153.3-63.1-148.9109.800122.4
731K26.4Very low24.5Very low151 Ų151133.2 Ų133.266%0.65773%0.728SS**  cis-168.7161.829.2-142.7171-17674.40114.1
732S25.6Very low24.6Very low93 Ų93134.7 Ų134.765%0.6573%0.732SS**  trans49.898.8146.4610000122.8
733S22.5Very low24.5Very low109 Ų109134.2 Ų134.276%0.76273%0.734SS**  25123118.262.80000122.5
734S24.8Very low24.4Very low118 Ų118133.4 Ų133.483%0.82573%0.728SS**  -175139.5110.441.60000109.8
735H26Very low24.4Very low165 Ų165130.5 Ų130.576%0.76473%0.727SS**  cis100.6132.217.2-158.714000113.9
736L24.9Very low24.6Very low127 Ų127128.1 Ų128.167%0.66572%0.719SS**  trans83147.3171.8-45.2173000115.8
737K25Very low24.8Very low171 Ų171131.1 Ų131.174%0.74373%0.727SS**  cis-160.3141.6-15.3-108.3179.3171.9168.40107.7
738S24.4Very low24.7Very low99 Ų99128.8 Ų128.869%0.69272%0.721SS**  67.6142.175100.90000116.3
739G23.1Very low24.6Very low70 Ų70127.5 Ų127.572%0.72272%0.721SS**  trans132.979.9179.100000113.3
740D24Very low24.8Very low140 Ų140130.5 Ų130.575%0.74973%0.728SS**  cis96.1149.445.3-76.6-59.5000115.5
741S25.7Very low24.7Very low107 Ų107128.1 Ų128.175%0.74873%0.727SS**  trans74.3146.4177.683.40000116
742K24.6Very low24.6Very low183 Ų183126.5 Ų126.580%0.79673%0.733SS**  cis-145.8133.2-2.8-111.5146.4177.7177.30106.4
743L22.4Very low24.6Very low162 Ų162130.9 Ų130.985%0.84874%0.744SS**  74.6145.872.4-164.3144.7000113.7
744S22.3Very low24.7Very low101 Ų101133.2 Ų133.271%0.70675%0.747SS**  trans90.5136.1170.9170.10000118.9
745S25.9Very low24.6Very low88 Ų88133.6 Ų133.662%0.61574%0.74SS**  cis-171.1171.8-19.7-60.60000111.6
746L26.8Very low25Very low148 Ų148131.2 Ų131.278%0.77574%0.739SS**  trans73.9140.8152.8-59.5166.3000118.2
747K25.8Very low24.9Very low167 Ų167132.9 Ų132.973%0.72674%0.744SS**  cis-167.8137.5-11.9-134.6-175.4-163.6167.50114
748T23.9Very low24.8Very low115 Ų115136 Ų13671%0.70675%0.751SS**  trans53.3155.1140.4460000122.4
749C22.7Very low24.7Very low98 Ų98136.1 Ų136.166%0.66275%0.752SS**  cis-151135.210.5-122.60000109.8
750K27.7Very low24.7Very low187 Ų187140.4 Ų140.481%0.81376%0.757SS**  72.9145.199.1-77.3-163.3178.7-164.40116.4
751S24.8Very low24.5Very low91 Ų91141.2 Ų141.264%0.63676%0.76SS**  cis-159.9137.60.231.40000109.8
752C24.7Very low24.4Very low117 Ų117144.7 Ų144.779%0.79177%0.765SS**  71.4159.394.8-43.60000113.4
753E25Very low25.2Very low186 Ų186140.9 Ų140.987%0.86976%0.759SS**  cis-141.6171.411.8-60.1164.7157.800107
754D24.1Very low25.2Very low157 Ų157142.3 Ų142.384%0.8476%0.758SS**  cis-158.6-172.34.4-151-13.7000111.1
755D22Very low25.3Very low126 Ų126144.2 Ų144.267%0.67476%0.76SS**  trans-94175.9174-147.5-40000112Q757D755-Q757 PolarHBondContact OD1-N 3.14Å
756P35.4Very low25.2Very low116 Ų116144.3 Ų144.375%0.75377%0.766SS**  -157.7124.481.238.3-14.6000119.4
757Q22.8Very low25.2Very low162 Ų162144.8 Ų144.876%0.75776%0.762SS**  64.595.4108.9-156.4173.634.500123.8D755D755-Q757 PolarHBondContact OD1-N 3.14Å
758W22.1Very low25.2Very low236 Ų236141.8 Ų141.889%0.89475%0.754SS**  74.4155.7117.5-133-89.1000126.4
759S22.4Very low25.4Very low101 Ų101143.8 Ų143.871%0.70676%0.755SS**  trans98148.3163.1-40.30000116.4
760I23Very low25.5Very low161 Ų161145.4 Ų145.483%0.82676%0.757SS**  cis-140.5158.428.3-72.9175.3000114.2
761L21.4Very low25.4Very low157 Ų157143.9 Ų143.982%0.82275%0.753SS**  trans-26.4131.8172.8-62.5158.9000123
762Q21.6Very low25.6Very low180 Ų180146.3 Ų146.384%0.84176%0.759SS**  15.7161.3121.1-77.1-88.3-50.300124.1
763P43.4Very low25.6Very low103 Ų103150.1 Ų150.167%0.66977%0.765SS**  trans-119.4-165.8-15246.9-36.5000116.4
764K21.2Very low25.6Very low191 Ų191148.3 Ų148.383%0.8376%0.76SS**  trans-169.6167.5163.5-97.9173.9179.6179.60108.3
765D24.3Very low25.9Very low142 Ų142146.4 Ų146.476%0.75976%0.756SS**  cis178.6155.8-41-108.2-39.1000108
766A25.2Very low26Very low89 Ų89147 Ų14774%0.73677%0.765SS**  trans69.9156.3162.600000117.4
767K25Very low25.6Very low158 Ų158144.9 Ų144.969%0.68776%0.763SS**  cis-170.4160.5-12.7-123.5179.3146.6-73.10110.7
768D26.9Very low25.7Very low105 Ų105145.4 Ų145.456%0.56177%0.768SS**  trans61.4156.1150.2-52.1-20.4000118.7
769E26.8Very low26Very low157 Ų157139.3 Ų139.373%0.73476%0.759SS**  cis-162.1151.2-7.4-119.8165.4-15200110.9
770N24.9Very low26.2Very low131 Ų131140.4 Ų140.470%0.70177%0.765SS**  36.1145.5129.4-76.945.2000123
771E26.7Very low26.4Very low156 Ų156141.2 Ų141.273%0.72977%0.77SS**  cis-150.3164.4-3.9-53.4-161.5139.900113.3
772D27.8Very low26.6Very low142 Ų142142.6 Ų142.676%0.75977%0.772SS**  trans30.8131.2139.8-64.99.6000125.1
773E25.8Very low26.8Very low196 Ų196139.7 Ų139.792%0.91677%0.772SS**  -158.9157.6112.7-125.8-176.1-174.400112
774I25.2Very low26Very low148 Ų148141.5 Ų141.576%0.75978%0.78SS**  trans-119.8138.1-172.8-42.5172.4000110.6
775P29Very low26.3Very low117 Ų117138.4 Ų138.476%0.7678%0.778SS**  -147.6129.6121.333.3-15.8000116.5
776T25Very low26.7Very low140 Ų140140 Ų14086%0.85979%0.785SS**  37.9110.3127.4-490000120.2
777G27Very low26.7Very low70 Ų70138.9 Ų138.972%0.72278%0.782SS**  trans171.9105.3156.700000116.3
778M24.3Very low26.9Very low174 Ų174139 Ų13986%0.85779%0.79SS**  trans-111.5124.8167.5-99.4-58.6-52.100110.9
779P29.3Very low27Very low108 Ų108140.9 Ų140.970%0.70180%0.8SS**  trans-130.4140.7154.534.6-20.6000114
780C25.6Very low27.1Very low124 Ų124140.8 Ų140.884%0.83880%0.803SS**  trans-15.8138.6163.6-47.50000119.1
781L27.9Very low27.3Very low177 Ų177145.3 Ų145.393%0.92781%0.81SS**PPolyproline II helixtrans-88.3137162-80.4165.9000111.6
782E24.9Very low27.4Very low186 Ų186144.5 Ų144.587%0.86981%0.811SS**PPolyproline II helixtrans-96.9155.4166.6-70.3-171.7124.900111.4
783S26.4Very low27.4Very low119 Ų119145.3 Ų145.383%0.83281%0.81SS**PPolyproline II helixtrans-87.7125.7178.856.80000112.5
784V26.7Very low27.6Very low141 Ų141142.8 Ų142.886%0.85580%0.803SS**PPolyproline II helixtrans-98133.9175.3179.10000111.1
785T27.5Very low27.9Very low127 Ų127147.1 Ų147.178%0.77981%0.81SS**PPolyproline II helixtrans-90.7133.1176.7510000112
786I32.1Very low27.8Very low175 Ų175149.1 Ų149.190%0.89781%0.813SS**PPolyproline II helixtrans-73.4135.1168.2-62.5170.7000108.8
787G26.6Very low27.9Very low65 Ų65148.4 Ų148.467%0.6781%0.811SS**PPolyproline II helixtrans-100.9169.7-170.500000115.8
788D28.5Very low27.9Very low161 Ų161153.4 Ų153.486%0.86182%0.82SS**PPolyproline II helixtrans-81.8119.6175.1-58.2-78000112.1
789D30Very low28.2Very low144 Ų144154.6 Ų154.677%0.7782%0.824SS**  trans-98.2106.6168.2-96-32.4000111.3
790I28.2Very low28.2Very low155 Ų155154.3 Ų154.380%0.79583%0.831SS**  trans-87.7114.3176.8-60.8172.7000109.2D792I790-D792 PolarHBondContact O-N 2.99Å
791W29.5Very low28.3Very low227 Ų227158.4 Ų158.486%0.8683%0.834SS**  trans-87.1109.8174.1-68.187.6000110.7
792D27.8Very low28.4Very low139 Ų139159.1 Ų159.174%0.74384%0.835SS**  trans-75.1140.9-174.3-164.811.6000113I790 N794I790-D792 PolarHBondContact O-N 2.99Å; D792-N794 PolarHBondContact O-N 3.28Å
793E28.5Very low28.5Very low159 Ų159153.6 Ų153.674%0.74383%0.828SS**  trans-94.691.5-179.5-74.1-162.8168.400111.2
794N28.8Very low28.7Very low142 Ų142158.3 Ų158.376%0.75983%0.833SS**  trans-169110.9152-99.8-58.1000112.5D792D792-N794 PolarHBondContact O-N 3.28Å
795W31.6Very low28.7Very low239 Ų239155.6 Ų155.691%0.90583%0.834SS**  trans-131.680.3174.7-69.4103.3000112.3
796L28.2Very low28.7Very low160 Ų160153.4 Ų153.484%0.83884%0.837SS**  trans-131.3137.5164.8-73.6176.7000110.2
797P27.1Very low28.4Very low125 Ų125150.6 Ų150.681%0.81283%0.833SS**  trans-86.3130.4-169.932.5-34.5000113
798L26.5Very low29.5Very low175 Ų175153.1 Ų153.192%0.91684%0.837SS**  trans-126.2132.8164.9-75.9174.6000110.8
799Q30.3Very low29.4Very low198 Ų198149.7 Ų149.793%0.92583%0.831SS**  trans-78.4136-175.2-63.1-177.9400111.6
800A28.8Very low29.3Very low103 Ų103147.4 Ų147.485%0.85183%0.827SS**  trans-82.2135.6178.300000112.7
801K28.3Very low29.3Very low210 Ų210148.8 Ų148.891%0.91383%0.829SS**  trans-150.4122.1155.4-124.1175.3-174.8175.90111.7
802M29.9Very low29.2Very low192 Ų192145.1 Ų145.195%0.94683%0.826SS**  trans-69.2152164.4-56.6169.9-177.300109.1
803G27.1Very low29Very low69 Ų69147 Ų14771%0.71183%0.828SS**  cis126.6116.9-1.600000112.4
804K30.3Very low28.9Very low218 Ų218145.1 Ų145.195%0.94883%0.827SS**  trans-169.4138.7158.3-114.1172.4-176-179.90112.4
805G26.6Very low28.6Very low84 Ų84143 Ų14387%0.86682%0.823SS**  trans-81.9-170.7-168.900000118.5
806G27.2Very low28.3Very low82 Ų82136.3 Ų136.385%0.84581%0.813SS**  trans156.1135.1179.900000110.5
807S27.4Very low28.1Very low116 Ų116136.2 Ų136.281%0.81181%0.813SS**  trans-165157.1-178.4-175.90000108.5
808P48.9Very low28Very low118 Ų118136.1 Ų136.177%0.76681%0.809SS**  cis-118.6-170.3-10.928.2-7.1000112.1
809A26.2Very low28Very low89 Ų89130.9 Ų130.974%0.73680%0.798SS**  trans144.7111.5135.800000116.2
810S28.8Very low27.9Very low96 Ų96130.8 Ų130.867%0.67179%0.794SS**  trans31.1122.1136.954.30000124.4
811H27.3Very low27.8Very low184 Ų184133.1 Ų133.185%0.85279%0.785SS**  trans79.9152.7134.7-60.7-50.8000123.2
812L26.5Very low27.7Very low150 Ų150128.9 Ų128.979%0.78577%0.769SS**  trans81.6101.8161.9-58.6-174.5000122.3
813F24.7Very low27.5Very low179 Ų179130.8 Ų130.879%0.78577%0.767SS**  53.8122114.5-86.2-100.7000123.5
814T25.3Very low27.5Very low119 Ų119133.5 Ų133.573%0.7376%0.761SS**  trans79.5145.2135.943.30000125.6
815S23.6Very low27.3Very low96 Ų96127.5 Ų127.567%0.67175%0.747SS**  trans68.292.1142.759.40000122.9
816S24.3Very low27.3Very low99 Ų99131 Ų13169%0.69274%0.74SS**  54.3153.6105.271.40000123.9
817L25.4Very low27.2Very low159 Ų159130 Ų13083%0.83273%0.729SS**  trans75153.8169-8577000117.3
818V24.6Very low27.2Very low122 Ų122130.5 Ų130.574%0.73972%0.723SS**  cis-167.8150.3-35112.30000111.3
819G26.4Very low26Very low65 Ų65131.6 Ų131.667%0.6772%0.72SS**  trans174.8123.9162.600000110.9
820K28Very low26.3Very low196 Ų196133.2 Ų133.285%0.85272%0.723SS**  cis69.4137.348.8-63.1-176.2175.8177.50112.6
821K27Very low26.1Very low153 Ų153135.6 Ų135.667%0.66572%0.723SS**  cis-159.3176.74.7-136.8-151.4163.4-76.20107.9
822Q25.2Very low26Very low121 Ų121135 Ų13557%0.56572%0.718SS**  -172.4134.5-64.2176.9-164.18.800109.9Q824Q822-Q824 HydrophobicContact CG-CG 4.38Å
823Y25.8Very low25.9Very low231 Ų231134.6 Ų134.691%0.90672%0.717SS**  trans-131125.7156.7-85.4-85.8000106.6
824Q27Very low25.8Very low127 Ų127137 Ų13759%0.59372%0.721SS**  cis71.5136.835.8-68.3-168.9-87.600114.6Q822Q822-Q824 HydrophobicContact CG-CG 4.38Å
825S26.9Very low25.6Very low92 Ų92136.8 Ų136.864%0.64372%0.723SS**  cis-172.6157.1-11.8430000110
826H26.5Very low25.7Very low156 Ų156142.1 Ų142.172%0.72274%0.735SS**  cis-129.3-139-2.5-142.1-125000108.9D828H826-D828 IonicContact CE1-OD1 3.69Å; H826-D828 PolarHBondContact CE1-OD1 3.44Å; H826-D828 IonicContact CG-OD1 2.81Å; H826-D828 IonicContact ND1-OD1 3.19Å; H826-D828 PolarHBondContact ND1-OD1 3.15Å
827G25.5Very low25.5Very low61 Ų61143.5 Ų143.563%0.62974%0.744SS**  cis157.3154.50.300000108.2
828D26.7Very low25.5Very low128 Ų128142.4 Ų142.468%0.68474%0.744SS**  cis-142.7131.6-5.8-70.9-47.4000107.5H826H826-D828 IonicContact CE1-OD1 3.69Å; H826-D828 PolarHBondContact CE1-OD1 3.44Å; H826-D828 IonicContact CG-OD1 2.81Å; H826-D828 IonicContact ND1-OD1 3.19Å; H826-D828 PolarHBondContact ND1-OD1 3.15Å
829M23.7Very low25.5Very low141 Ų141141.8 Ų141.870%0.69575%0.745SS**  76.1142.274.5-151.192.380.100112.7
830P33.1Very low25.5Very low122 Ų122146.5 Ų146.579%0.79275%0.748SS**  cis-123.7-146.7-041.3-23.3000113.3
831Q24.7Very low25.5Very low146 Ų146142.5 Ų142.568%0.68274%0.735SS**  -166.8132.9-92.6177.517841.500111.9
832K25.3Very low25.3Very low171 Ų171142 Ų14274%0.74374%0.738SS**  trans65.8161.1165.6-77.6177.3179.9-173.90116.4
833D24.3Very low25.4Very low143 Ų143145.4 Ų145.477%0.76575%0.746SS**  cis-144.2-15727.6-126.4-27.7000115.4
834W22.3Very low25.3Very low230 Ų230141.1 Ų141.187%0.87174%0.739SS**  trans-83.1159.7-167.9-100.230.3000118.2
835C22.3Very low25.2Very low114 Ų114140.8 Ų140.877%0.7774%0.741SS**  trans72.1140.8156.8-70.90000120.3
836F23.8Very low25.1Very low208 Ų208139.6 Ų139.691%0.91273%0.733SS**  trans-92.5131.6-178.8-70.7-98.3000112.8
837S21.4Very low25Very low128 Ų128143.7 Ų143.790%0.89574%0.742SS**  trans-157.6170.5135.7-21.60000110.2
838T24.8Very low24.9Very low135 Ų135149.1 Ų149.183%0.82875%0.751SS**  trans-105.8-179.6-160.647.20000115.7
839S25.1Very low25.3Very low110 Ų110147.5 Ų147.577%0.76975%0.748SS**  trans87.7151.5173.282.50000114.7
840K26.1Very low25.4Very low164 Ų164148.9 Ų148.971%0.71376%0.757SS**  -165.8179.552.7-141.1-176.8170.6-151.20116
841D28.2Very low24.9Very low111 Ų111146.4 Ų146.459%0.59475%0.754SS**  trans78.2137.9154.4-65.7-24.8000118
842I23.4Very low25Very low143 Ų143147.7 Ų147.773%0.73377%0.765SS**  cis-14013912.7-106.7135.5000112.1
843W26.3Very low25Very low192 Ų192143.3 Ų143.373%0.72776%0.76SS**  trans26.3153.6147.9-53.569.9000122.2
844D23.3Very low25.1Very low141 Ų141143.1 Ų143.175%0.75476%0.759SS**  cis-146.4174.225.1-81.7-71000110.4
845D25.4Very low25.3Very low120 Ų120138.6 Ų138.664%0.64275%0.752SS**  cis-169.7-178.8-25.6179.341.2000109.3
846S24.6Very low25.5Very low68 Ų68140.4 Ų140.448%0.47675%0.751SS.*  trans5.5144.5161.964.60000122.5
847W24.6Very low25.6Very low241 Ų241139.4 Ų139.491%0.91375%0.746SS**  cis-146.1175.240.6-85.677.9000115.3
848Q22.7Very low25.7Very low175 Ų175137.5 Ų137.582%0.81875%0.746SS**  trans-118.3-157.9179.9-49-171.5-13.900111.5
849P36.8Very low25.6Very low95 Ų95134.9 Ų134.962%0.61775%0.746SS**  cis-141.1-172.1-10.525.42000117.4
850L25.1Very low25.6Very low170 Ų170137 Ų13789%0.8975%0.747SS**  trans76.2147.9166.6-58.2117.1000118.6
851G23.5Very low25.6Very low70 Ų70137.6 Ų137.672%0.72275%0.753SS**  cis167.8170.5-10.100000115.8
852L25.3Very low25.5Very low173 Ų173138.1 Ų138.191%0.90676%0.76SS**  trans80.8107162.4-111.571.7000123.4
853A25.5Very low26.2Very low78 Ų78136.1 Ų136.165%0.64576%0.757SS**  67.2124.5117.500000125.8
854N27.3Very low26Very low139 Ų139135.4 Ų135.474%0.74376%0.761SS**  71.5126.4124.5-71.750.3000125.7
855D26.1Very low25.9Very low136 Ų136140 Ų14073%0.72777%0.768SS**  84.3142.9127.1-79.7-50.2000125.7
856M25.3Very low26.4Very low152 Ų152139.1 Ų139.175%0.74977%0.769SS**  trans69.3116.8147.6-87.2-178.433.500123.8
857K26.1Very low26.3Very low187 Ų187142.7 Ų142.781%0.81378%0.781SS**  47.297.4129.6-70.1179.9172.8175.60119.3
858G23.5Very low26.2Very low87 Ų87136.2 Ų136.290%0.89777%0.769SS**  70.2156111.300000119.4
859G23.8Very low26.3Very low80 Ų80135.9 Ų135.983%0.82577%0.767SS**  trans153.584.7-178.700000113.9
860I25.8Very low25.8Very low154 Ų154137.5 Ų137.579%0.7977%0.766SS**  trans-28.3153.4156.1-70.3161.3000115.7
861Q25.8Very low25.9Very low177 Ų177136.3 Ų136.383%0.82775%0.754SS**  trans101.4116.9159.2-90.9162.1119.400120.4
862T26.1Very low26.1Very low123 Ų123139.6 Ų139.676%0.75576%0.755SS**  trans-52.4166.2145.747.30000112.7
863P36.9Very low26.1Very low101 Ų101138 Ų13866%0.65675%0.752SS**  cis-147.6-163.432.544.6-23.3000117.1
864E21.7Very low26Very low176 Ų176136.8 Ų136.882%0.82275%0.748SS**  trans67114.1151.7-76.5164.1-179.500122
865R22.6Very low26Very low237 Ų237136.6 Ų136.689%0.89475%0.752SS**  11.6161.1116.7-93.4-174.2-175.4-178.23119.1
866P35Very low26Very low102 Ų102135.9 Ų135.966%0.66275%0.752SS**  cis-145.9-160.3-0.528.3-0.8000116.2
867I21.9Very low26Very low144 Ų144138.9 Ų138.974%0.73876%0.755SS**  trans81.1151.2153.1-20.3-177.2000119.9
868T23.3Very low26Very low105 Ų105136.7 Ų136.764%0.64475%0.751SS**  trans74.4117.1158.931.60000116.3
869Q25.6Very low26Very low167 Ų167144.3 Ų144.378%0.7875%0.753SS**  75.4143.478.7-75.5-178.9-4.200112.3
870E26.6Very low26.1Very low130 Ų130148.2 Ų148.261%0.60775%0.747SS**  cis-149.9166.316.8-138.3-177.1172.400114.9
871K26.8Very low26Very low145 Ų145148.3 Ų148.363%0.6374%0.744SS**  trans10.3141.5152.8-72.7163.6-1681570122
872N26.7Very low26Very low138 Ų138145.7 Ų145.774%0.73873%0.732SS**  43.6139.9123.9-40.5-9.7000118.9
873T24.8Very low25.9Very low139 Ų139146.8 Ų146.885%0.85373%0.733SS**  -176.7154.352.1-43.40000106.4
874G24.8Very low25.3Very low53 Ų53148 Ų14855%0.54673%0.733SS.*  cis144.3163.22.900000109.3
875T26.9Very low25.4Very low136 Ų136147.7 Ų147.783%0.83473%0.732SS**  trans61158177.642.20000115.9
876T25.8Very low25.4Very low120 Ų120147 Ų14774%0.73673%0.731SS**  cis-166.3166.9-5.620.70000108
877R24.8Very low25.6Very low216 Ų216147.3 Ų147.382%0.81573%0.733SS**  cis176.3158.6-27.7-167.9-165.9176.4-161.71.2107.7
878I27Very low25.8Very low140 Ų140147.5 Ų147.572%0.71874%0.735SS**  trans75.6114.6163.7-47.1-175.5000118.8
879R23.7Very low25.8Very low248 Ų248149 Ų14994%0.93674%0.739SS**  -156.5163.2110.1-150.4163.1-178.6162.60.6110.8
880K25.2Very low25.7Very low162 Ų162145.8 Ų145.870%0.70474%0.735SS**  trans-148.6174.6-166.6-164.3177.8-178.3-84.10110.6E882K880-E882 IonicContact NZ-OE1 3.86Å; K880-E882 PolarHBondContact NZ-OE1 3.3Å
881Q24.1Very low25.7Very low156 Ų156144.8 Ų144.873%0.72974%0.742SS**  trans100.5120.1175.2-56.2-155.7-93.500113.4
882E25.8Very low25.7Very low121 Ų121144.7 Ų144.757%0.56575%0.754SS**  77.8125.457.8-65.6144.8-146.200111.3K880K880-E882 IonicContact NZ-OE1 3.86Å; K880-E882 PolarHBondContact NZ-OE1 3.3Å
883D23.8Very low25.8Very low147 Ų147145.8 Ų145.879%0.78676%0.759SS**  cis-149.5-142.4-10-157.617.7000109.2
884L25.4Very low26.7Very low125 Ų125144.4 Ų144.465%0.65475%0.752SS**  cis-165.2167.36.7-136.8-169.5000110
885Q23.7Very low26.9Very low170 Ų170149.7 Ų149.779%0.79476%0.76SS**  trans76.5153.3156.9-96.2151.215.800122.6
886Y22.8Very low27.2Very low222 Ų222151 Ų15187%0.87176%0.761SS**  trans-141.7164.3-166-96.1-78.7000108.5
887P37.9Very low27.6Very low110 Ų110153.3 Ų153.371%0.71476%0.764SS**  -156.917254.743.5-22000120.5
888L25.7Very low28.1Very low147 Ų147149.5 Ų149.577%0.7776%0.755SS**  trans59.7146.4156.5-97.966.6000119.2
889D23Very low28.3Very low137 Ų137151.7 Ų151.773%0.73376%0.76SS**  cis-155.91804.5-149.2-23.6000112.1
890S24.5Very low28.7Very low100 Ų100149.3 Ų149.370%0.69975%0.752SS**  trans93.6104.216175.90000122
891S25.7Very low29.3Very low109 Ų109148.2 Ų148.276%0.76275%0.753SS**  trans47111.4136.161.90000123.2
892T27.2Very low29.7Very low143 Ų143145.3 Ų145.388%0.87775%0.75SS**  trans-156.6146.2135.8-29.90000113.1
893L29.7Very low30Very low160 Ų160146.9 Ų146.984%0.83876%0.761SS**  trans-148.9160.2163.5-90.4174.8000107.8
894P43.3Very low30.5Very low110 Ų110146.9 Ų146.971%0.71476%0.76SS**  cis-123.2175.9-17.639.7-26.4000112.7
895K28.5Very low30.8Very low165 Ų165150.4 Ų150.472%0.71777%0.769SS**  trans-130.7117.2158.6-85.6-170.7170-168.80109.3E898K895-E898 WeakPolarHBondContact CE-OE1 3.39Å; K895-E898 IonicContact NZ-OE1 3.95Å; K895-E898 PolarHBondContact NZ-OE1 2.87Å
896L33.8Very low31.1Very low163 Ų163146.9 Ų146.985%0.85376%0.764SS**  trans-123.78.7174.5-15375000112.9
897E33.8Very low31.7Very low168 Ų168145.5 Ų145.579%0.78577%0.765SS**SBendtrans-94.7-21.2-171.1-158.6168.1-161.500113.2F899E897-F899 VanDerWaalsContact C-N 3.31Å; E897-F899 PolarHBondContact O-N 3.44Å
898E34.8Very low31.4Very low136 Ų136150 Ų15064%0.63678%0.777SS**THydrogen-bonded Turntrans-78.3-11.3-176.9-70.5173.4-172.500113.7K895K895-E898 WeakPolarHBondContact CE-OE1 3.39Å; K895-E898 IonicContact NZ-OE1 3.95Å; K895-E898 PolarHBondContact NZ-OE1 2.87Å
899F32.4Very low31.5Very low187 Ų187148.6 Ų148.682%0.8278%0.779SS**THydrogen-bonded Turntrans-80.5-25.6-178.4-143.2-94.1000113.6E897E897-F899 VanDerWaalsContact C-N 3.31Å; E897-F899 PolarHBondContact O-N 3.44Å
900Y31.7Very low31.7Very low198 Ų198146.7 Ų146.778%0.77678%0.783SS**SBendtrans-83.8-19.9-167.9-130.9-89.3000114.8
901I36.9Very low31.8Very low139 Ų139151.6 Ų151.671%0.71379%0.794SS**SBendtrans-91.8-23.6-175-65179.3000112.3L903I901-L903 VanDerWaalsContact C-N 3.34Å; I901-L903 PolarHBondContact O-N 3.47Å
902S34.1Very low31.8Very low95 Ų95149.6 Ų149.666%0.66479%0.791SS**THydrogen-bonded Turntrans-75-19.4-175.1-1570000114.4
903L31.6Very low31.6Very low153 Ų153148.9 Ų148.980%0.80179%0.792SS**THydrogen-bonded Turntrans-80.1-23.2-175.3-159.868.6000113.7I901I901-L903 VanDerWaalsContact C-N 3.34Å; I901-L903 PolarHBondContact O-N 3.47Å
904I35.2Very low31.4Very low148 Ų148149 Ų14976%0.75979%0.788SS**THydrogen-bonded Turntrans-89.4-5.9-172-67.2178000112.9
905K31Very low31Very low198 Ų198149.4 Ų149.486%0.86179%0.791SS**THydrogen-bonded Turntrans-111.515.2-177.1-93.8-170174-175.30116.2
906S30.7Very low30.8Very low97 Ų97149 Ų14968%0.67879%0.792SS**  trans-135.770.2-179.8-167.40000113.5
907Q35.1Very low31.2Very low193 Ų193146.1 Ų146.190%0.90278%0.783SS**  trans-170.592.3144.8-108.5164.612.700113.1
908Q31.1Very low30.6Very low204 Ų204145.8 Ų145.895%0.95378%0.781SS**  trans-144.879.7152.8-85.7-163.8-15.800108.9
909S27.4Very low30Very low117 Ų117144 Ų14482%0.81878%0.784SS**  trans-172.4159.8158.5-155.10000112.2
910A26.4Very low29.7Very low98 Ų98141.8 Ų141.881%0.8178%0.779SS**  trans61.892.5159.600000118.8
911E27.4Very low29.4Very low202 Ų202140.2 Ų140.294%0.94478%0.779SS**  trans-91142.3152.6174.8176.7-144.900109.1
912G25.3Very low28.8Very low67 Ų67139.9 Ų139.969%0.69178%0.784SS**  trans150.4121.7166.600000118.9
913S23.8Very low28.3Very low128 Ų128143.6 Ų143.690%0.89579%0.79SS**  trans80.1118.6149.4-52.80000121.8
914Q25.4Very low28.9Very low163 Ų163140.9 Ų140.976%0.76278%0.782SS**  trans-84172.3156.1-85.4-80.4-41.200110
915P34Very low28.4Very low119 Ų119142.3 Ų142.377%0.77378%0.782SS**  cis-142.3174.929.442.2-21.8000120.2
916E24.4Very low28.1Very low156 Ų156139.6 Ų139.673%0.72977%0.773SS**  trans-43.4169154.9-83.5-89.7141.100115.5
917P41.9Very low27.8Very low103 Ų103143 Ų14367%0.66978%0.783SS**  cis-146.6-169.729.645.6-25.7000119.6
918E22.3Very low27.3Very low160 Ų160140.9 Ų140.975%0.74878%0.777SS**  trans95.183.9148.6-80.4178.9-151.500122.9
919S22.7Very low27Very low100 Ų100139.3 Ų139.370%0.69977%0.774SS**  69.7162.5110.682.50000125.1
920I26.4Very low26.8Very low140 Ų140138.8 Ų138.872%0.71877%0.771SS**  trans95.695.8160.4-62.8169.7000120.4
921Q24.6Very low26.8Very low165 Ų165138.6 Ų138.677%0.77176%0.764SS**  67.3146.8128.7-63-174-1300126.1
922T23.7Very low26.6Very low132 Ų132135.6 Ų135.681%0.8176%0.759SS**  trans79.5115.2143.535.30000123.2
923Q23Very low26.7Very low172 Ų172138.6 Ų138.680%0.80476%0.764SS**  trans-81.8-165.1138.9-43.1-176.7-10.500109.3
924P45Very low27.9Very low96 Ų96137.9 Ų137.962%0.62376%0.756SS**  cis-134.9-178.7-13.226.4-2.2000114.5
925K24.8Very low27.9Very low178 Ų178135.1 Ų135.177%0.77475%0.754SS**  156.3137113.5-82-165.7178.7179.30115.3
926H25.7Very low27.8Very low142 Ų142134.4 Ų134.466%0.65775%0.752SS**  trans38.9132.4141.6-69.2-101.2000122
927N23.7Very low27.9Very low168 Ų168131.7 Ų131.790%0.89876%0.757SS**  -152.7157.497.3-103.6-27.8000114
928L24.9Very low27.9Very low148 Ų148133 Ų13378%0.77577%0.765SS**  trans-116.4159.2-177.5-89.1153.9000109.9
929L23.2Very low28.2Very low171 Ų171130.3 Ų130.390%0.89577%0.77SS**  trans-145.3131.7155.5-113.7165.7000110.6
930S25.2Very low28.5Very low106 Ų106128.4 Ų128.474%0.74177%0.767SS**  trans-100.8-172.3172.358.40000108.8
931S25.4Very low28.7Very low95 Ų95129.5 Ų129.566%0.66477%0.773SS**  cis-165174.417.256.90000110.6
932V23.4Very low28.7Very low138 Ų138128.4 Ų128.484%0.83677%0.772SS**  -174146.8125.8146.30000109.5
933V26.8Very low28.8Very low131 Ų131127 Ų12779%0.79477%0.768SS**  trans-162172.8-171.1-93.80000108.2
934P48.6Very low30.1Very low112 Ų112123.7 Ų123.773%0.72776%0.761SS**  cis-142.3-15518.543.3-21.7000115.7
935S26.1Very low29.2Very low105 Ų105127.3 Ų127.373%0.73477%0.77SS**  trans93.2146.5147.874.30000121.4
936S31Very low29.4Very low105 Ų105123.4 Ų123.473%0.73476%0.761SS**  cis-177.8138.9-46.746.20000114.2
937A26.8Very low29.5Very low99 Ų99124.9 Ų124.982%0.81877%0.768SS**  trans66174.3153.300000117
938P42.7Very low29.6Very low130 Ų130122.4 Ų122.484%0.84476%0.764SS**  cis-115.1-176.628.242.4-32.5000117
939A28.8Very low29.6Very low104 Ų104118.4 Ų118.486%0.8676%0.758SS**  trans-109.2-174.6172.700000110.6
940G28.1Very low29.7Very low60 Ų60116.3 Ų116.362%0.61976%0.758SS**  cis170.3-1645.700000111.2
941L31Very low29.8Very low163 Ų163116.6 Ų116.685%0.85376%0.755SS**  trans69.8155.3177.2-76.964.8000115
942D24.8Very low29.9Very low142 Ų142120.4 Ų120.476%0.75976%0.762SS**  cis-145-174.810.3-130.8-32.2000113.6
943S26.4Very low30Very low103 Ų103119.5 Ų119.572%0.7276%0.762SS**  trans-121.1-163.9-177.4-39.50000112.4
944P49.1Very low30.1Very low101 Ų101118.8 Ų118.866%0.65676%0.763SS**  cis-135.3-163.3-22.440.2-19.9000114.2
945E27.7Very low30Very low173 Ų173119.4 Ų119.481%0.80877%0.767SS**  trans65.6153.8147.6-80175.8-154.200122.6
946T27.1Very low30Very low95 Ų95117.8 Ų117.858%0.58377%0.767SS**  cis-168.5156.9-37.515.70000112.2
947H28.1Very low29.8Very low174 Ų174118 Ų11881%0.80677%0.769SS**  trans62161.2153.4-60.7-39.5000118.8
948S27.3Very low29.9Very low116 Ų116119.8 Ų119.881%0.81176%0.764SS**  cis-169.4166.7-1745.40000107.9
949G24Very low29.1Very low64 Ų64122.1 Ų122.166%0.6676%0.76SS**  cis141.8152.1-0.800000112.1
950S26.1Very low29.1Very low126 Ų126122 Ų12288%0.88175%0.745SS**  trans73.2155164.9-58.10000117.3
951V27.1Very low29.2Very low113 Ų113126.5 Ų126.569%0.68575%0.75SS**  cis-163.6157.9-3.2112.10000113.3
952E26.4Very low29Very low174 Ų174123.5 Ų123.581%0.81374%0.735SS**  trans60.9154.1155.4-78.7173.9154.900126.6
953S25.8Very low29Very low119 Ų119125.5 Ų125.583%0.83274%0.737SS**  trans106.7122.7144.875.50000121.1
954S29.4Very low28.9Very low116 Ų116125 Ų12581%0.81173%0.734SS**  trans-103.7173.9153.7-64.90000107.6
955P46.2Very low27.8Very low125 Ų125125.2 Ų125.281%0.81274%0.738SS**  cis-139.21728.742.4-25.2000116.9
956G25.8Very low27.9Very low72 Ų72121.2 Ų121.274%0.74273%0.729SS**  98.7121.8127.400000121.6
957S27.8Very low27.9Very low110 Ų110125.1 Ų125.177%0.76974%0.74SS**  111.7129.4116.7-142.40000121.3
958L27.7Very low27.8Very low136 Ų136121 Ų12171%0.71274%0.736SS**  trans92129.3138.1-90164.8000123.7
959K27.5Very low27.7Very low178 Ų178122 Ų12277%0.77473%0.733SS**  trans89.1134.7153.3-65.4178-177-177.60120.9
960N27.2Very low27.8Very low101 Ų101125.7 Ų125.754%0.5474%0.743SS.*  cis-170.4140.1-29.7-116.634.8000108
961E30Very low27.8Very low156 Ų156125.4 Ų125.473%0.72974%0.735SS**  trans55167137.2-61.2168.516700119.1
962D26.6Very low27.7Very low100 Ų100126 Ų12654%0.53574%0.739SS.*  cis-157.1167.55.8-143.2-23.8000113.1
963F25.3Very low27.7Very low183 Ų183127.7 Ų127.780%0.80374%0.744SS**  trans56.9176.2155.9-62.4-44.7000120.4
964S24.7Very low27.8Very low92 Ų92128 Ų12864%0.64374%0.736SS**  cis-177.9151.2-46.4-172.90000109.2
965S25.8Very low27.7Very low107 Ų107131.1 Ų131.175%0.74874%0.735SS**  trans60.6173.4157.886.20000117.4
966S29.1Very low26.9Very low88 Ų88130.8 Ų130.862%0.61574%0.736SS**  cis-170157.7-40.954.50000112.2
967H28.4Very low27.1Very low177 Ų177136.8 Ų136.882%0.81974%0.744SS**  trans67.4168.3147.7-83.7-61.8000122.3
968A26.1Very low27.1Very low88 Ų88135 Ų13573%0.72774%0.744SS**  trans76.8112176.300000115
969D24.6Very low27Very low138 Ų138133.1 Ų133.174%0.73875%0.747SS**  cis66.893.432.2-62.6-59000116.2
970T26.2Very low27Very low141 Ų141132 Ų13287%0.86575%0.748SS**  trans-148.3146.4142.550.80000109.5
971V25.4Very low27Very low120 Ų120133.2 Ų133.273%0.72776%0.755SS**  cis160.9116.4-26.91440000106.4
972V24.9Very low26.9Very low125 Ų125133.2 Ų133.276%0.75876%0.755SS**  trans56.6118146.9178.90000120.3
973K26.6Very low26.9Very low210 Ų210135.9 Ų135.991%0.91377%0.768SS**  -156.8174.3107.1-130.8152.3-172171.90114.1
974D28.1Very low26.8Very low126 Ų126131.6 Ų131.667%0.67476%0.761SS**  trans-142.2165.5-155.2167.743.5000111.2
975K28.6Very low26.8Very low180 Ų180137.1 Ų137.178%0.78377%0.774SS**  trans79.3146.5175.7-44.5-175.9-174.5178.60114.6
976S29.3Very low26.7Very low119 Ų119138.9 Ų138.983%0.83277%0.773SS**  cis-150.617230.155.70000116.5
977Q28.9Very low26.5Very low197 Ų197142.8 Ų142.892%0.92179%0.786SS**  trans-78.9150.1-179.7-160.186.41.300114
978G27.3Very low26.3Very low74 Ų74139.4 Ų139.476%0.76378%0.782SS**  trans169.2112.7161.200000119.7
979A27.4Very low26.4Very low95 Ų95140.9 Ų140.979%0.78579%0.785SS**  trans33107.114800000123.6
980I27.1Very low26.4Very low156 Ų156143.3 Ų143.380%0.879%0.792SS**  53.5124.2107.4-65.8173.1000121
981D27.5Very low26.6Very low125 Ų125145 Ų14567%0.66879%0.789SS**  trans80.7126.1150.1-81.722.7000125.6
982Q26.8Very low26.5Very low156 Ų156148.2 Ų148.273%0.72980%0.796SS**  trans64.994.9136.9-64.3-178.658.800120.9
983L26.4Very low26.4Very low157 Ų157149 Ų14982%0.82280%0.795SS**  176154.293.8-93.7174.1000114.1
984S22.7Very low26.2Very low93 Ų93144.1 Ų144.165%0.6579%0.787SS**  trans44.8121.115759.30000121.3
985F24.7Very low26.2Very low208 Ų208145.6 Ų145.691%0.91279%0.79SS**  -151.5149.1105.5-115.5-75.7000111.6
986I24.5Very low26Very low143 Ų143145.5 Ų145.573%0.73379%0.79SS**  trans-102.6124.6-176.9-62.1168.3000109.4
987L25.8Very low26Very low171 Ų171144.1 Ų144.190%0.89577%0.772SS**  trans-140.6124.5161-74.8178.8000109.9
988S23.6Very low26Very low105 Ų105140.6 Ų140.673%0.73475%0.752SS**PPolyproline II helixtrans-95.5126.2-176.6-56.60000111.8
989P28.3Very low26.1Very low119 Ų119140.2 Ų140.277%0.77373%0.732SS**PPolyproline II helixtrans-70.7132.9164.4-16.731.7000110.9
990Q25.1Very low26.1Very low190 Ų190136.8 Ų136.889%0.88870%0.701SS**PPolyproline II helixtrans-72.7152.3176.9-70.8171.7-2400111.6Q992Q990-Q992 PolarHBondContact O-N 3.24Å
991H29.2Very low26.2Very low176 Ų176138.7 Ų138.782%0.81570%0.698SS**  trans-76.2110.8-172-7428.8000112.7I993H991-I993 HydrophobicContact CB-CG1 4.2Å; H991-I993 PolarHBondContact O-N 3.17Å
992Q23.3Very low26.4Very low187 Ų187136.7 Ų136.787%0.87469%0.694SS**  trans-86.895.9167.9-160.8172.125.100109.5Q990 S994Q990-Q992 PolarHBondContact O-N 3.24Å; Q992-S994 PolarHBondContact O-N 3.49Å; Q992-S994 VanDerWaalsContact O-N 3.15Å
993I23.6Very low26.9Very low141 Ų141130 Ų13072%0.72366%0.664SS**  trans-83.291.2-172.9-55.3177.9000110.7H991 Q995H991-I993 HydrophobicContact CB-CG1 4.2Å; H991-I993 PolarHBondContact O-N 3.17Å; I993-Q995 PolarHBondContact O-N 2.97Å
994S23.1Very low27.4Very low108 Ų108123.6 Ų123.676%0.75563%0.634SS**  trans-67.6115.5169-46.80000110.6Q992Q992-S994 PolarHBondContact O-N 3.49Å; Q992-S994 VanDerWaalsContact O-N 3.15Å
995Q27.8Very low28Very low158 Ų158124 Ų12474%0.73863%0.632SS**  trans-73.9133.6177.2-65.8-172.2-3.800110.8I993I993-Q995 PolarHBondContact O-N 2.97Å
996K24.7Very low28.5Very low177 Ų177115.6 Ų115.677%0.7760%0.601SS**  trans-89.9114.1179.1-68.5-179.4178.7178.80110.4Y998K996-Y998 PolarHBondContact O-N 3.08Å
997L28.1Very low29.3Very low90 Ų90109.5 Ų109.547%0.47157%0.571SS.*  trans-75.8118.4169-70.1170.4000110.4L479 V485L479-L997 HydrophobicContact CD2-CD1 4.14Å; V485-L997 HydrophobicContact CG1-CD1 4.3Å
998Y29.9Very low30Very low123 Ų123106.4 Ų106.448%0.48256%0.555SS.*  trans-87.6111.3175.3178.9-98.9000111.4R505 K996 P1000R505-Y998 HydrophobicContact CB-CD1 4.34Å; K996-Y998 PolarHBondContact O-N 3.08Å; Y998-P1000 WeakPolarHBondContact O-CD 3.47Å
999I28.9Very low30.5Very low67 Ų67102.6 Ų102.634%0.34453%0.531SS..  trans-83.9119172.6-53.5-179.7000108.9T1003 A1004I999-T1003 HydrophobicContact CG2-CG2 4.11Å; I999-A1004 HydrophobicContact CB-CB 4.49Å; I999-A1004 HydrophobicContact CG2-CB 3.89Å
1000P26.2Very low31Very low23 Ų2397.3 Ų97.315%0.14950%0.498CS..  trans-60.2143.3178.7-2333.3000112Y998 S1002 T1003 A1004Y998-P1000 WeakPolarHBondContact O-CD 3.47Å; P1000-S1002 VanDerWaalsContact C-N 3.27Å; P1000-S1002 PolarHBondContact O-N 3.39Å; P1000-T1003 CarbonylContact O-C 3.54Å; P1000-T1003 WeakPolarHBondContact O-CA 3.44Å; P1000-T1003 WeakPolarHBondContact O-CB 3.48Å; P1000-T1003 PolarHBondContact O-N 3.41Å; P1000-A1004 PolarHBondContact O-N 3.44Å
1001R29.6Very low31.6Very low196 Ų19690.1 Ų90.174%0.7447%0.471SS*.Hα-helixtrans-52.6-35.4-174.2-93.7-176174.3160.9-1.7115.2A1004 T1005R1001-A1004 PolarHBondContact O-N 3.04Å; R1001-T1005 WeakPolarHBondContact O-CB 3.38Å; R1001-T1005 PolarHBondContact O-N 3.09Å; R1001-T1005 PolarHBondContact O-OG1 3.31Å; R1001-T1005 VanDerWaalsContact O-OG1 3.06Å
1002S33.3Very low32Very low82 Ų8284.1 Ų84.157%0.57345%0.452SS*.Hα-helixtrans-67.5-45.4174.847.40000112.4P1000 A1004 T1005 A1006P1000-S1002 VanDerWaalsContact C-N 3.27Å; P1000-S1002 PolarHBondContact O-N 3.39Å; S1002-A1004 VanDerWaalsContact C-N 3.33Å; S1002-T1005 PolarHBondContact O-N 2.7Å; S1002-A1006 WeakPolarHBondContact O-CB 3.31Å; S1002-A1006 PolarHBondContact O-N 3.46Å
1003T36.3Very low32.8Very low16 Ų1678.5 Ų78.510%0.09842%0.422CS..Hα-helixtrans-64.8-38.2173.8-42.10000110.9Y503 I999 P1000 A1006 V1007Y503-T1003 WeakPolarHBondContact CE1-OG1 3.43Å; I999-T1003 HydrophobicContact CG2-CG2 4.11Å; P1000-T1003 CarbonylContact O-C 3.54Å; P1000-T1003 WeakPolarHBondContact O-CA 3.44Å; P1000-T1003 WeakPolarHBondContact O-CB 3.48Å; P1000-T1003 PolarHBondContact O-N 3.41Å; T1003-A1006 PolarHBondContact O-N 3.34Å; T1003-V1007 HydrophobicContact CG2-CG2 4.4Å; T1003-V1007 WeakPolarHBondContact O-CB 3.22Å; T1003-V1007 VanDerWaalsContact O-CG2 3.23Å; T1003-V1007 WeakPolarHBondContact O-CG2 3.3Å; T1003-V1007 PolarHBondContact O-N 2.79Å
1004A36.9Very low33.5Very low23 Ų2376.4 Ų76.419%0.1941%0.412CS..Hα-helixtrans-65.5-42174.600000111.2I999 P1000 R1001 S1002 A1006 V1007 L1008I999-A1004 HydrophobicContact CB-CB 4.49Å; I999-A1004 HydrophobicContact CG2-CB 3.89Å; P1000-A1004 PolarHBondContact O-N 3.44Å; R1001-A1004 PolarHBondContact O-N 3.04Å; S1002-A1004 VanDerWaalsContact C-N 3.33Å; A1004-A1006 VanDerWaalsContact C-N 3.33Å; A1004-A1006 PolarHBondContact O-N 3.33Å; A1004-V1007 PolarHBondContact O-N 2.66Å; A1004-L1008 WeakPolarHBondContact O-CA 3.32Å; A1004-L1008 WeakPolarHBondContact O-CB 3.18Å; A1004-L1008 WeakPolarHBondContact O-CD1 3.39Å; A1004-L1008 WeakPolarHBondContact O-CG 3.41Å; A1004-L1008 PolarHBondContact O-N 2.86Å
1005T35.4Very low34.1Very low101 Ų10173.9 Ų73.962%0.6240%0.398SS*.Hα-helixtrans-68.6-29.6173.5-60.40000112.5R1001 S1002 G1009R1001-T1005 WeakPolarHBondContact O-CB 3.38Å; R1001-T1005 PolarHBondContact O-N 3.09Å; R1001-T1005 PolarHBondContact O-OG1 3.31Å; R1001-T1005 VanDerWaalsContact O-OG1 3.06Å; S1002-T1005 PolarHBondContact O-N 2.7Å; T1005-G1009 WeakPolarHBondContact O-CA 3.19Å; T1005-G1009 PolarHBondContact O-N 2.87Å
1006A35.5Very low34.3Very low31 Ų3171.3 Ų71.326%0.25639%0.393SS..Hα-helixtrans-72.5-43.1172.100000112.4S1002 T1003 A1004 G1009 A1010S1002-A1006 WeakPolarHBondContact O-CB 3.31Å; S1002-A1006 PolarHBondContact O-N 3.46Å; T1003-A1006 PolarHBondContact O-N 3.34Å; A1004-A1006 VanDerWaalsContact C-N 3.33Å; A1004-A1006 PolarHBondContact O-N 3.33Å; A1006-G1009 CarbonylContact O-C 3.6Å; A1006-G1009 PolarHBondContact O-N 2.6Å; A1006-A1010 WeakPolarHBondContact O-CB 3.43Å; A1006-A1010 PolarHBondContact O-N 3.31Å
1007V40.5Very low34.6Very low16 Ų1666.2 Ų66.210%0.09738%0.38CS..Hα-helixtrans-69.8-43.2177169.10000111.6L484 V633 T1003 A1004 G1009 A1010 A1011L484-V1007 HydrophobicContact CB-CG1 4.49Å; L484-V1007 HydrophobicContact CD1-CG1 3.83Å; V633-V1007 HydrophobicContact CG1-CG2 4.06Å; V633-V1007 HydrophobicContact CG2-CG2 3.61Å; T1003-V1007 HydrophobicContact CG2-CG2 4.4Å; T1003-V1007 WeakPolarHBondContact O-CB 3.22Å; T1003-V1007 VanDerWaalsContact O-CG2 3.23Å; T1003-V1007 WeakPolarHBondContact O-CG2 3.3Å; T1003-V1007 PolarHBondContact O-N 2.79Å; A1004-V1007 PolarHBondContact O-N 2.66Å; V1007-G1009 VanDerWaalsContact C-N 3.29Å; V1007-A1010 PolarHBondContact O-N 3.38Å; V1007-A1011 VanDerWaalsContact O-CB 3.28Å; V1007-A1011 WeakPolarHBondContact O-CB 3.49Å; V1007-A1011 PolarHBondContact O-N 2.93Å
1008L40.1Very low34.9Very low106 Ų10673.1 Ų73.156%0.55540%0.4SS*.Hα-helixtrans-67.7-31.6170.8-68.9167.2000111.2A1004 A1012A1004-L1008 WeakPolarHBondContact O-CA 3.32Å; A1004-L1008 WeakPolarHBondContact O-CB 3.18Å; A1004-L1008 WeakPolarHBondContact O-CD1 3.39Å; A1004-L1008 WeakPolarHBondContact O-CG 3.41Å; A1004-L1008 PolarHBondContact O-N 2.86Å; L1008-A1012 WeakPolarHBondContact O-CB 3.47Å; L1008-A1012 PolarHBondContact O-N 3.3Å
1009G35.2Very low34.8Very low24 Ų2471.3 Ų71.325%0.24741%0.405CS..Hα-helixtrans-63.6-49.4171.800000111.4T1005 A1006 V1007 A1012 R1013T1005-G1009 WeakPolarHBondContact O-CA 3.19Å; T1005-G1009 PolarHBondContact O-N 2.87Å; A1006-G1009 CarbonylContact O-C 3.6Å; A1006-G1009 PolarHBondContact O-N 2.6Å; V1007-G1009 VanDerWaalsContact C-N 3.29Å; G1009-A1012 PolarHBondContact O-N 3.46Å; G1009-R1013 WeakPolarHBondContact O-CB 3.28Å; G1009-R1013 VanDerWaalsContact O-CG 3.29Å; G1009-R1013 WeakPolarHBondContact O-CG 3.44Å; G1009-R1013 PolarHBondContact O-N 2.86Å
1010A38.5Very low34.9Very low9 Ų974.6 Ų74.67%0.07442%0.423CS..Hα-helixtrans-62.3-47.5174.300000112T651 D656 A1006 V1007 A1012 R1013 L1014T651-A1010 HydrophobicContact CG2-CB 3.79Å; D656-A1010 VanDerWaalsContact OD1-CB 3.24Å; D656-A1010 WeakPolarHBondContact OD1-CB 3.29Å; D656-A1010 WeakPolarHBondContact OD2-CA 3.3Å; A1006-A1010 WeakPolarHBondContact O-CB 3.43Å; A1006-A1010 PolarHBondContact O-N 3.31Å; V1007-A1010 PolarHBondContact O-N 3.38Å; A1010-A1012 VanDerWaalsContact C-N 3.32Å; A1010-A1012 PolarHBondContact O-N 2.83Å; A1010-R1013 PolarHBondContact O-N 3.35Å; A1010-R1013 VanDerWaalsContact O-N 3.15Å; A1010-L1014 WeakPolarHBondContact O-CB 3.46Å; A1010-L1014 VanDerWaalsContact O-CG 3.29Å; A1010-L1014 WeakPolarHBondContact O-CG 3.39Å; A1010-L1014 PolarHBondContact O-N 2.67Å
1011A38.3Very low35.1Very low38 Ų3880.8 Ų80.831%0.31445%0.454SS..Hα-helixtrans-60.8-39.1175.600000112.3V1007 A1015V1007-A1011 VanDerWaalsContact O-CB 3.28Å; V1007-A1011 WeakPolarHBondContact O-CB 3.49Å; V1007-A1011 PolarHBondContact O-N 2.93Å; A1011-A1015 VanDerWaalsContact O-CB 3.3Å; A1011-A1015 WeakPolarHBondContact O-CB 3.47Å; A1011-A1015 PolarHBondContact O-N 3.03Å
1012A35.9Very low34.8Very low50 Ų5079.2 Ų79.241%0.41345%0.454SS..Hα-helixtrans-70.6-35.5174.200000112.3L1008 G1009 A1010 A1015 T1016L1008-A1012 WeakPolarHBondContact O-CB 3.47Å; L1008-A1012 PolarHBondContact O-N 3.3Å; G1009-A1012 PolarHBondContact O-N 3.46Å; A1010-A1012 VanDerWaalsContact C-N 3.32Å; A1010-A1012 PolarHBondContact O-N 2.83Å; A1012-A1015 CarbonylContact O-C 3.57Å; A1012-A1015 PolarHBondContact O-N 2.89Å; A1012-T1016 WeakPolarHBondContact O-CB 3Å; A1012-T1016 VanDerWaalsContact O-CG2 3.3Å; A1012-T1016 WeakPolarHBondContact O-CG2 3.35Å; A1012-T1016 PolarHBondContact O-N 3.15Å; A1012-T1016 PolarHBondContact O-OG1 2.9Å
1013R40Very low34.4Very low69 Ų6984.8 Ų84.826%0.2646%0.463SS..Hα-helixtrans-63.6-48.3172.7-78.3-175.2-68.2-1318.5111T651 S653 N654 D656 G1009 A1010 A1015 T1016 S1017T651-R1013 PolarHBondContact O-NH2 3.03Å; S653-R1013 PolarHBondContact O-NH1 2.96Å; N654-R1013 WeakPolarHBondContact O-CD 3.47Å; D656-R1013 IonicContact OD1-CZ 3.48Å; D656-R1013 IonicContact OD1-NE 2.66Å; D656-R1013 PolarHBondContact OD1-NE 3.41Å; D656-R1013 IonicContact OD1-NH2 3.12Å; D656-R1013 PolarHBondContact OD1-NH2 2.86Å; D656-R1013 IonicContact OD2-CZ 2.78Å; D656-R1013 IonicContact OD2-NE 2.66Å; D656-R1013 PolarHBondContact OD2-NE 3.48Å; D656-R1013 IonicContact OD2-NH2 2.82Å; G1009-R1013 WeakPolarHBondContact O-CB 3.28Å; G1009-R1013 VanDerWaalsContact O-CG 3.29Å; G1009-R1013 WeakPolarHBondContact O-CG 3.44Å; G1009-R1013 PolarHBondContact O-N 2.86Å; A1010-R1013 PolarHBondContact O-N 3.35Å; A1010-R1013 VanDerWaalsContact O-N 3.15Å; R1013-A1015 VanDerWaalsContact C-N 3.26Å; R1013-A1015 PolarHBondContact O-N 2.73Å; R1013-T1016 CarbonylContact O-C 3.55Å; R1013-T1016 PolarHBondContact O-N 3.06Å; R1013-T1016 PolarHBondContact O-OG1 2.66Å; R1013-S1017 VanDerWaalsContact O-CB 3.31Å; R1013-S1017 WeakPolarHBondContact O-CB 2.98Å; R1013-S1017 PolarHBondContact O-N 2.96Å; R1013-S1017 PolarHBondContact O-OG 2.62Å
1014L39.7Very low34.1Very low98 Ų9893.6 Ų93.651%0.51350%0.496SS..Hα-helixtrans-57.7-37.2172.1-67.6166.6000112.5Y658 A1010 S1017Y658-L1014 WeakPolarHBondContact OH-CD1 3.26Å; A1010-L1014 WeakPolarHBondContact O-CB 3.46Å; A1010-L1014 VanDerWaalsContact O-CG 3.29Å; A1010-L1014 WeakPolarHBondContact O-CG 3.39Å; A1010-L1014 PolarHBondContact O-N 2.67Å; L1014-S1017 PolarHBondContact O-OG 3.2Å
1015A35.1Very low34.1Very low55 Ų5598 Ų9846%0.45552%0.523SS..Hα-helixtrans-76.9-16.5176.300000114.3I282 A1011 A1012 R1013I282-A1015 HydrophobicContact CD1-CB 4.46Å; I282-A1015 HydrophobicContact CG2-CB 4.29Å; A1011-A1015 VanDerWaalsContact O-CB 3.3Å; A1011-A1015 WeakPolarHBondContact O-CB 3.47Å; A1011-A1015 PolarHBondContact O-N 3.03Å; A1012-A1015 CarbonylContact O-C 3.57Å; A1012-A1015 PolarHBondContact O-N 2.89Å; R1013-A1015 VanDerWaalsContact C-N 3.26Å; R1013-A1015 PolarHBondContact O-N 2.73Å
1016T32.3Very low33.7Very low103 Ų10397.9 Ų97.963%0.63253%0.526SS*.Hα-helixtrans-117.5-8.4-175.456.40000114.6A1012 R1013 R1018A1012-T1016 WeakPolarHBondContact O-CB 3Å; A1012-T1016 VanDerWaalsContact O-CG2 3.3Å; A1012-T1016 WeakPolarHBondContact O-CG2 3.35Å; A1012-T1016 PolarHBondContact O-N 3.15Å; A1012-T1016 PolarHBondContact O-OG1 2.9Å; R1013-T1016 CarbonylContact O-C 3.55Å; R1013-T1016 PolarHBondContact O-N 3.06Å; R1013-T1016 PolarHBondContact O-OG1 2.66Å; T1016-R1018 VanDerWaalsContact C-N 3.31Å; T1016-R1018 PolarHBondContact O-N 3.48Å
1017S31.5Very low33.3Very low70 Ų70103.4 Ų103.449%0.4956%0.556SS.*  trans-67.684.1177.558.90000111.5R1013 L1014 S1019R1013-S1017 VanDerWaalsContact O-CB 3.31Å; R1013-S1017 WeakPolarHBondContact O-CB 2.98Å; R1013-S1017 PolarHBondContact O-N 2.96Å; R1013-S1017 PolarHBondContact O-OG 2.62Å; L1014-S1017 PolarHBondContact O-OG 3.2Å; S1017-S1019 PolarHBondContact O-N 3.1Å; S1017-S1019 PolarHBondContact O-OG 2.81Å
1018R32.8Very low32.7Very low235 Ų235111.5 Ų111.589%0.88759%0.59SS**  trans-7130.4168.3-68.2-174.6172.3-169.4-1.6112.9T1016 L1020T1016-R1018 VanDerWaalsContact C-N 3.31Å; T1016-R1018 PolarHBondContact O-N 3.48Å; R1018-L1020 PolarHBondContact O-N 3.11Å; R1018-L1020 VanDerWaalsContact O-N 3.17Å
1019S28.4Very low32.1Very low86 Ų86110 Ų11060%0.60160%0.6SS**  trans-67.6108167.644.40000108.3S1017 L1021S1017-S1019 PolarHBondContact O-N 3.1Å; S1017-S1019 PolarHBondContact O-OG 2.81Å; S1019-L1021 PolarHBondContact O-N 3.17Å; S1019-L1021 VanDerWaalsContact O-N 3.11Å
1020L30.5Very low31.6Very low136 Ų136120.9 Ų120.971%0.71263%0.634SS**  trans-61116.9177.6-77.280.1000109.1R1018 H1022R1018-L1020 PolarHBondContact O-N 3.11Å; R1018-L1020 VanDerWaalsContact O-N 3.17Å; L1020-H1022 WeakPolarHBondContact CD2-NE2 3.43Å; L1020-H1022 PolarHBondContact O-N 3.48Å
1021L31.2Very low31.1Very low153 Ų153130.1 Ų130.180%0.80167%0.672SS**  trans-71.767168.7-71.9171.3000110.1S1019 W1023S1019-L1021 PolarHBondContact O-N 3.17Å; S1019-L1021 VanDerWaalsContact O-N 3.11Å; L1021-W1023 PolarHBondContact O-N 2.93Å; L1021-W1023 VanDerWaalsContact O-N 3.1Å
1022H22.5Very low30.7Very low163 Ų163136.3 Ų136.376%0.75570%0.7SS**  trans-68.5104.7171.4-92.2-66.6000110L1020L1020-H1022 WeakPolarHBondContact CD2-NE2 3.43Å; L1020-H1022 PolarHBondContact O-N 3.48Å
1023W26.3Very low30.3Very low199 Ų199143.5 Ų143.575%0.75472%0.724SS**  trans-113.4165.8169.3-8979.7000110.7L1021L1021-W1023 PolarHBondContact O-N 2.93Å; L1021-W1023 VanDerWaalsContact O-N 3.1Å
1024Y29.1Very low29.7Very low200 Ų200143.4 Ų143.478%0.78475%0.745SS**  trans77.3153.2177.7-70.3-90.7000116.8
1025P37.6Very low29.2Very low116 Ų116146.8 Ų146.875%0.75376%0.758SS**  cis-123.2156.79.139.8-26.2000117.9
1026S25.9Very low29Very low99 Ų99151.6 Ų151.669%0.69277%0.771SS**  trans28112.7147.4-53.10000121
1027V26.9Very low28.9Very low146 Ų146150.9 Ų150.989%0.88578%0.776SS**PPolyproline II helixtrans-79.8126.8146.5179.20000108.4
1028K28.9Very low28.9Very low186 Ų186154.8 Ų154.881%0.80979%0.786SS**PPolyproline II helixtrans-68.9138.7176.9-67.7177.1178.7176.80110.4
1029G26.7Very low28.8Very low75 Ų75150.8 Ų150.877%0.77378%0.775SS**PPolyproline II helixtrans-64.2140.4174.300000112.1K1031G1029-K1031 PolarHBondContact O-N 2.8Å
1030W25.3Very low29Very low252 Ų252153.9 Ų153.996%0.95579%0.785SS**  trans-80.5112.6168.7-70.213.6000108.6
1031K28.5Very low29.2Very low203 Ų203155.4 Ų155.488%0.88379%0.789SS**PPolyproline II helixtrans-79.8145.2158.8-85.6-170.4170.4-171.40108.3G1029G1029-K1031 PolarHBondContact O-N 2.8Å
1032L29.4Very low29.3Very low169 Ų169154.9 Ų154.989%0.88578%0.784SS**PPolyproline II helixtrans-69.8138.7160.3-73.977.6000108.6
1033E28.7Very low30Very low200 Ų200160 Ų16094%0.93580%0.804SS**PPolyproline II helixtrans-86.1147.6155.3-69.5-175.9126.200109
1034G27.5Very low30.2Very low67 Ų67158.1 Ų158.169%0.69181%0.806SS**  trans172.474.1-178.700000113.9
1035Q28.7Very low30.2Very low170 Ų170155.8 Ų155.879%0.79481%0.807SS**  trans65.3155.3163.4-61.3174.2-8200115.6
1036E29.6Very low29.8Very low156 Ų156158.1 Ų158.173%0.72981%0.81SS**  cis-152.1155-16.6-123.3159.5-153.400111.4
1037A30.8Very low30.1Very low88 Ų88161.5 Ų161.573%0.72782%0.817SS**  trans32.9148.7142.700000125.2
1038E31.1Very low30.3Very low151 Ų151162.5 Ų162.571%0.70681%0.813SS**  trans81.2130.5153-68.5-149.1119.200122.7
1039K30.5Very low30.4Very low152 Ų152160.9 Ų160.966%0.66181%0.814SS**  trans70.3122.1150.6-68.9155.2-172.61520117.1
1040D33.7Very low30.6Very low150 Ų150167.1 Ų167.180%0.80282%0.816SS**  57.793.753.7-64.8-40.9000113.6
1041E34Very low31Very low169 Ų169160.5 Ų160.579%0.7981%0.806SS**  -171.7152.694.8-103.8-159.3118.400114.4
1042M33.5Very low31.2Very low142 Ų142157 Ų15770%0.780%0.799SS**  trans34.9130.9149.7-68.8-145.2-175.900124.3
1043K37.5Very low31.4Very low270 Ų270155.9 Ų155.9100%1.17479%0.792SS**  trans86.10148-69.7166.8-176.6170.40118.6

Retrieved 1,043 of 1,043 residues in 289.5 ms (Link to these results)

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