A0A087XU41_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A087XU41, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 522 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
1M47.4Very low70Confident151 Ų15174.5 Ų74.574%0.74450%0.5SS*.  0137.60-76.9-166.6153.800110.1Y112 Y114M1-Y112 WeakPolarHBondContact CE-O 3.32Å; M1-Y114 HydrophobicContact CE-CD2 3.46Å; M1-Y114 VanDerWaalsContact CE-CD2 3.46Å; M1-Y114 HydrophobicContact CE-CE2 4.01Å; M1-Y114 HydrophobicContact SD-CD2 4.02Å
2S39.5Very low71.2Confident75 Ų7569.3 Ų69.352%0.52446%0.462SS..  trans-58.8139.3165.8161.10000109.2A4 G5S2-A4 PolarHBondContact O-N 3.49Å; S2-A4 PolarHBondContact OG-N 2.96Å; S2-G5 PolarHBondContact O-N 3.24Å; S2-G5 VanDerWaalsContact O-N 3.16Å
3P49Very low72.3Confident144 Ų14467.7 Ų67.794%0.93544%0.443SS*.THydrogen-bonded Turntrans-54.2-19173.5-23.332.1000114.1
4A57.1Low73.1Confident87 Ų8769.4 Ų69.472%0.71945%0.451SS*.THydrogen-bonded Turntrans-92.73.9-176.700000114.7S2S2-A4 PolarHBondContact O-N 3.49Å; S2-A4 PolarHBondContact OG-N 2.96Å
5G70.6Confident73.2Confident48 Ų4874.7 Ų74.750%0.49547%0.474SS..  trans72.1-169-176.400000113.6S2S2-G5 PolarHBondContact O-N 3.24Å; S2-G5 VanDerWaalsContact O-N 3.16Å
6C83.4Confident73.8Confident22 Ų2277.8 Ų77.815%0.14949%0.486CS..  trans-89.2111.4179.6178.10000110.7H8 V9 I113C6-H8 PolarHBondContact O-N 2.84Å; C6-H8 PolarHBondContact SG-ND1 3.48Å; C6-V9 HydrophobicContact CB-CG2 3.78Å; C6-V9 VanDerWaalsContact O-CB 3.27Å; C6-V9 WeakPolarHBondContact O-CB 3.17Å; C6-V9 PolarHBondContact O-N 3.34Å; C6-V9 VanDerWaalsContact O-N 3.07Å; C6-I113 HydrophobicContact CB-CD1 4.26Å; C6-I113 HydrophobicContact CB-CG1 4.05Å; C6-I113 HydrophobicContact CB-CG2 4.31Å
7S85.6Confident74.7Confident82 Ų8274.6 Ų74.657%0.57346%0.463SS*.Hα-helixtrans-60.7-27.9179.955.40000113.7V9 N10 G11S7-V9 PolarHBondContact O-N 2.68Å; S7-N10 WeakPolarHBondContact O-CB 3.41Å; S7-N10 PolarHBondContact O-N 2.68Å; S7-N10 VanDerWaalsContact O-N 3.15Å; S7-G11 PolarHBondContact O-N 3Å
8H87.1Confident75.5Confident47 Ų4776 Ų7622%0.21846%0.461CS..Hα-helixtrans-66.1-24177.4-49.5100.9000113C6 G11 Y12 L95 C106 V108C6-H8 PolarHBondContact O-N 2.84Å; C6-H8 PolarHBondContact SG-ND1 3.48Å; H8-G11 PolarHBondContact O-N 3.34Å; H8-Y12 PolarHBondContact O-N 2.89Å; H8-L95 HydrophobicContact CB-CD2 4.34Å; H8-C106 PolarHBondContact ND1-SG 3.48Å; H8-V108 VanDerWaalsContact CE1-CB 3.49Å; H8-V108 WeakPolarHBondContact CE1-CB 3.41Å; H8-V108 WeakPolarHBondContact CE1-CG1 3.31Å; H8-V108 WeakPolarHBondContact NE2-CG1 3.32Å
9V86.5Confident76.2Confident2 Ų277.3 Ų77.31%0.01246%0.461CS..Hα-helixtrans-65.5-43.1173.2173.80000110.4C6 S7 G11 Y12 K13 I113 D115 M118C6-V9 HydrophobicContact CB-CG2 3.78Å; C6-V9 VanDerWaalsContact O-CB 3.27Å; C6-V9 WeakPolarHBondContact O-CB 3.17Å; C6-V9 PolarHBondContact O-N 3.34Å; C6-V9 VanDerWaalsContact O-N 3.07Å; S7-V9 PolarHBondContact O-N 2.68Å; V9-G11 PolarHBondContact O-N 2.84Å; V9-Y12 CarbonylContact O-C 3.5Å; V9-Y12 WeakPolarHBondContact O-CA 3.47Å; V9-Y12 WeakPolarHBondContact O-CB 3.49Å; V9-Y12 PolarHBondContact O-N 2.94Å; V9-K13 HydrophobicContact CG1-CD 4.13Å; V9-K13 HydrophobicContact CG1-CG 4.14Å; V9-K13 WeakPolarHBondContact O-CG 3.38Å; V9-K13 PolarHBondContact O-N 3.13Å; V9-I113 HydrophobicContact CG2-CB 4.46Å; V9-I113 HydrophobicContact CG2-CD1 3.59Å; V9-I113 HydrophobicContact CG2-CG1 4.3Å; V9-I113 HydrophobicContact CG2-CG2 3.49Å; V9-I113 VanDerWaalsContact CG2-CG2 3.49Å; V9-D115 HydrophobicContact CG1-CB 4.21Å; V9-M118 HydrophobicContact CG1-CE 3.62Å; V9-M118 HydrophobicContact CG1-SD 3.91Å
10N83Confident76.7Confident107 Ų10777.7 Ų77.757%0.57246%0.461SS*.Hα-helixtrans-61.5-35.5178.8-63.5-23.6000111.2S7 Y12 K13S7-N10 WeakPolarHBondContact O-CB 3.41Å; S7-N10 PolarHBondContact O-N 2.68Å; S7-N10 VanDerWaalsContact O-N 3.15Å; N10-Y12 VanDerWaalsContact C-N 3.26Å; N10-Y12 PolarHBondContact O-N 3.37Å; N10-K13 PolarHBondContact O-N 3.13Å
11G80.9Confident77.4Confident54 Ų5474 Ų7456%0.55744%0.439SS*.Hα-helixtrans-69.3-18.917300000114.7S7 H8 V9S7-G11 PolarHBondContact O-N 3Å; H8-G11 PolarHBondContact O-N 3.34Å; V9-G11 PolarHBondContact O-N 2.84Å
12Y84.8Confident79.5Confident12 Ų1269.9 Ų69.95%0.04742%0.415CS..Hα-helixtrans-92.6-25.6174.1177.6-101.6000113.4H8 V9 N10 V14 W17 L71 Y72 L95 M118H8-Y12 PolarHBondContact O-N 2.89Å; V9-Y12 CarbonylContact O-C 3.5Å; V9-Y12 WeakPolarHBondContact O-CA 3.47Å; V9-Y12 WeakPolarHBondContact O-CB 3.49Å; V9-Y12 PolarHBondContact O-N 2.94Å; N10-Y12 VanDerWaalsContact C-N 3.26Å; N10-Y12 PolarHBondContact O-N 3.37Å; Y12-V14 PolarHBondContact O-N 2.88Å; Y12-W17 HydrophobicContact CD1-CB 4.32Å; Y12-W17 HydrophobicContact CE1-CB 3.98Å; Y12-W17 HydrophobicContact CE1-CE3 4.25Å; Y12-W17 WeakPolarHBondContact O-CB 3.05Å; Y12-L71 HydrophobicContact CD1-CD1 4.45Å; Y12-L71 HydrophobicContact CD2-CB 4.22Å; Y12-L71 HydrophobicContact CE1-CB 4.49Å; Y12-L71 HydrophobicContact CE1-CD1 4.14Å; Y12-L71 HydrophobicContact CE2-CB 3.67Å; Y12-L71 WeakPolarHBondContact CE2-O 3.37Å; Y12-L71 PolarHBondContact OH-O 3.34Å; Y12-Y72 HydrophobicContact CD2-CD1 4.08Å; Y12-Y72 AromaticContact CD2-CE1 3.73Å; Y12-Y72 HydrophobicContact CD2-CE1 3.73Å; Y12-Y72 AromaticContact CD2-CZ 3.98Å; Y12-L95 HydrophobicContact CD1-CD1 4.46Å; Y12-L95 HydrophobicContact CG-CD1 3.92Å; Y12-M118 HydrophobicContact CD1-CE 3.55Å; Y12-M118 HydrophobicContact CE1-CE 4.06Å
13K85.4Confident81.8Confident49 Ų4969 Ų6921%0.21341%0.406CS..  trans-72.449.1179-71.4-173.1173.3179.50112.7V9 N10 W17 D115 D117 M118V9-K13 HydrophobicContact CG1-CD 4.13Å; V9-K13 HydrophobicContact CG1-CG 4.14Å; V9-K13 WeakPolarHBondContact O-CG 3.38Å; V9-K13 PolarHBondContact O-N 3.13Å; N10-K13 PolarHBondContact O-N 3.13Å; K13-W17 VanDerWaalsContact C-CD1 3.46Å; K13-W17 VanDerWaalsContact CA-CD1 3.49Å; K13-W17 HydrophobicContact CB-CD2 4.32Å; K13-W17 HydrophobicContact CB-CG 4.33Å; K13-W17 HydrophobicContact CD-CH2 4.33Å; K13-W17 HydrophobicContact CD-CZ2 3.86Å; K13-W17 HydrophobicContact CG-CD2 3.96Å; K13-W17 HydrophobicContact CG-CE3 4.39Å; K13-W17 HydrophobicContact CG-CG 4.45Å; K13-W17 HydrophobicContact CG-CH2 4.27Å; K13-W17 HydrophobicContact CG-CZ2 3.82Å; K13-D115 WeakPolarHBondContact CE-OD1 3.14Å; K13-D115 IonicContact NZ-OD1 3.67Å; K13-D115 PolarHBondContact NZ-OD1 2.8Å; K13-D115 IonicContact NZ-OD2 3.84Å; K13-D115 PolarHBondContact NZ-OD2 3.41Å; K13-D117 IonicContact NZ-OD2 3.34Å; K13-D117 PolarHBondContact NZ-OD2 3.25Å; K13-M118 HydrophobicContact CG-CE 4.49Å
14V83.6Confident83.6Confident91 Ų9162.9 Ų62.955%0.55237%0.366SS*.SBendtrans-97.9-179.5175.4-60.20000110.7Y12 N16 W17Y12-V14 PolarHBondContact O-N 2.88Å; V14-N16 PolarHBondContact O-N 3.03Å; V14-W17 VanDerWaalsContact O-CB 3.28Å; V14-W17 WeakPolarHBondContact O-CB 3.33Å; V14-W17 PolarHBondContact O-N 3.4Å; V14-W17 VanDerWaalsContact O-N 3.12Å
15D74.8Confident85.1Confident150 Ų15059 Ų5980%0.80233%0.333SS*.THydrogen-bonded Turntrans-45.8134.3-172.8-63.6-34.1000114.1W17D15-W17 PolarHBondContact O-N 3.01Å; D15-W17 VanDerWaalsContact O-N 3.15Å
16N82.8Confident85.8Confident123 Ų12360.4 Ų60.466%0.65833%0.326SS*.THydrogen-bonded Turntrans638-180-60.4-32.1000117.4V14 K18 Q19 N20V14-N16 PolarHBondContact O-N 3.03Å; N16-K18 VanDerWaalsContact C-N 3.25Å; N16-K18 PolarHBondContact O-N 3.4Å; N16-K18 VanDerWaalsContact O-N 3.15Å; N16-Q19 PolarHBondContact O-N 2.95Å; N16-N20 PolarHBondContact O-N 3.01Å
17W87.8Confident85.7Confident25 Ų2560.9 Ų60.910%0.09533%0.33CS..Hα-helixtrans-53.6-39.2179.577.3-92.8000113.7Y12 K13 V14 D15 Q19 N20 L21 D117 M118 I121Y12-W17 HydrophobicContact CD1-CB 4.32Å; Y12-W17 HydrophobicContact CE1-CB 3.98Å; Y12-W17 HydrophobicContact CE1-CE3 4.25Å; Y12-W17 WeakPolarHBondContact O-CB 3.05Å; K13-W17 VanDerWaalsContact C-CD1 3.46Å; K13-W17 VanDerWaalsContact CA-CD1 3.49Å; K13-W17 HydrophobicContact CB-CD2 4.32Å; K13-W17 HydrophobicContact CB-CG 4.33Å; K13-W17 HydrophobicContact CD-CH2 4.33Å; K13-W17 HydrophobicContact CD-CZ2 3.86Å; K13-W17 HydrophobicContact CG-CD2 3.96Å; K13-W17 HydrophobicContact CG-CE3 4.39Å; K13-W17 HydrophobicContact CG-CG 4.45Å; K13-W17 HydrophobicContact CG-CH2 4.27Å; K13-W17 HydrophobicContact CG-CZ2 3.82Å; V14-W17 VanDerWaalsContact O-CB 3.28Å; V14-W17 WeakPolarHBondContact O-CB 3.33Å; V14-W17 PolarHBondContact O-N 3.4Å; V14-W17 VanDerWaalsContact O-N 3.12Å; D15-W17 PolarHBondContact O-N 3.01Å; D15-W17 VanDerWaalsContact O-N 3.15Å; W17-Q19 PolarHBondContact O-N 3.22Å; W17-N20 PolarHBondContact O-N 3.38Å; W17-L21 HydrophobicContact CE3-CD2 4.33Å; W17-L21 HydrophobicContact CZ3-CD2 3.92Å; W17-L21 VanDerWaalsContact O-CB 3.3Å; W17-L21 WeakPolarHBondContact O-CB 3.25Å; W17-L21 PolarHBondContact O-N 3.44Å; W17-D117 HydrophobicContact CH2-CB 3.63Å; W17-D117 HydrophobicContact CZ2-CB 4.12Å; W17-M118 HydrophobicContact CE3-CE 4.31Å; W17-M118 HydrophobicContact CH2-CG 4.2Å; W17-M118 HydrophobicContact CZ3-CE 4.15Å; W17-M118 HydrophobicContact CZ3-CG 3.73Å; W17-I121 HydrophobicContact CH2-CD1 3.97Å; W17-I121 HydrophobicContact CZ3-CD1 3.81Å
18K90.6Very high85.5Confident99 Ų9959.1 Ų59.143%0.4331%0.311SS..Hα-helixtrans-63.3-42.5179.3-64.7-171.4176.9-179.90111.8N16 R22 I121N16-K18 VanDerWaalsContact C-N 3.25Å; N16-K18 PolarHBondContact O-N 3.4Å; N16-K18 VanDerWaalsContact O-N 3.15Å; K18-R22 WeakPolarHBondContact O-CB 3.45Å; K18-R22 WeakPolarHBondContact O-CG 3.33Å; K18-R22 PolarHBondContact O-N 3.33Å; K18-I121 HydrophobicContact CB-CD1 3.98Å; K18-I121 HydrophobicContact CD-CD1 4.45Å; K18-I121 HydrophobicContact CG-CD1 3.92Å
19Q88.1Confident85.4Confident101 Ų10157.2 Ų57.247%0.47230%0.303SS..Hα-helixtrans-70.4-43.7-179-17359.822.500110.6N16 W17 L21 R22 V23N16-Q19 PolarHBondContact O-N 2.95Å; W17-Q19 PolarHBondContact O-N 3.22Å; Q19-L21 VanDerWaalsContact C-N 3.33Å; Q19-L21 PolarHBondContact O-N 2.82Å; Q19-R22 PolarHBondContact O-N 3.13Å; Q19-V23 WeakPolarHBondContact O-CG2 3.44Å; Q19-V23 PolarHBondContact O-N 3.17Å
20N86.9Confident85.1Confident84 Ų8459.7 Ų59.745%0.44931%0.312SS..Hα-helixtrans-59.5-45.7176.5-67.1-17.7000111.3N16 W17 R22 V23 I24N16-N20 PolarHBondContact O-N 3.01Å; W17-N20 PolarHBondContact O-N 3.38Å; N20-R22 PolarHBondContact O-N 3.16Å; N20-V23 PolarHBondContact O-N 3Å; N20-I24 WeakPolarHBondContact O-CG1 3.36Å; N20-I24 PolarHBondContact O-N 2.75Å; N20-I24 VanDerWaalsContact O-N 3.14Å
21L90.7Very high84.8Confident0 Ų054.8 Ų54.80%029%0.286CS..Hα-helixtrans-63.5-42177.7-174.462.6000112.1W17 Q19 V23 I24 Y25 L71 I97 I104 M118 I121W17-L21 HydrophobicContact CE3-CD2 4.33Å; W17-L21 HydrophobicContact CZ3-CD2 3.92Å; W17-L21 VanDerWaalsContact O-CB 3.3Å; W17-L21 WeakPolarHBondContact O-CB 3.25Å; W17-L21 PolarHBondContact O-N 3.44Å; Q19-L21 VanDerWaalsContact C-N 3.33Å; Q19-L21 PolarHBondContact O-N 2.82Å; L21-V23 PolarHBondContact O-N 3.48Å; L21-I24 PolarHBondContact O-N 2.89Å; L21-Y25 HydrophobicContact CD1-CD2 4.18Å; L21-Y25 HydrophobicContact CD1-CE2 3.69Å; L21-Y25 HydrophobicContact CD2-CE2 4.08Å; L21-Y25 HydrophobicContact CG-CD2 3.94Å; L21-Y25 HydrophobicContact CG-CE2 3.62Å; L21-Y25 VanDerWaalsContact O-CD2 3.28Å; L21-Y25 WeakPolarHBondContact O-CD2 3.42Å; L21-Y25 PolarHBondContact O-N 2.72Å; L21-L71 HydrophobicContact CD1-CD2 4.09Å; L21-I97 HydrophobicContact CD1-CD1 4.4Å; L21-I104 HydrophobicContact CD1-CD1 4.21Å; L21-I104 HydrophobicContact CD2-CD1 4.46Å; L21-M118 HydrophobicContact CD2-CB 4.08Å; L21-M118 HydrophobicContact CD2-CG 3.89Å; L21-I121 HydrophobicContact CD2-CB 4.44Å; L21-I121 HydrophobicContact CD2-CD1 4.23Å; L21-I121 HydrophobicContact CD2-CG2 4.24Å; L21-I121 HydrophobicContact CG-CG2 4.27Å
22R91.6Very high84Confident65 Ų6552.5 Ų52.525%0.24526%0.263CS..Hα-helixtrans-58.8-45.3174.9-80.4179.8175.2134.9-0.3112.3K18 Q19 N20 I24 Y25 Q26 I121 E124 E125K18-R22 WeakPolarHBondContact O-CB 3.45Å; K18-R22 WeakPolarHBondContact O-CG 3.33Å; K18-R22 PolarHBondContact O-N 3.33Å; Q19-R22 PolarHBondContact O-N 3.13Å; N20-R22 PolarHBondContact O-N 3.16Å; R22-I24 VanDerWaalsContact C-N 3.28Å; R22-I24 PolarHBondContact O-N 2.83Å; R22-Y25 PolarHBondContact O-N 2.6Å; R22-Q26 WeakPolarHBondContact O-CB 3.5Å; R22-Q26 VanDerWaalsContact O-CG 3.25Å; R22-Q26 WeakPolarHBondContact O-CG 3.19Å; R22-Q26 PolarHBondContact O-N 2.61Å; R22-I121 HydrophobicContact CG-CG2 3.54Å; R22-E124 IonicContact NH2-OE2 3.97Å; R22-E124 PolarHBondContact NH2-OE2 3.3Å; R22-E124 VanDerWaalsContact NH2-OE2 3.13Å; R22-E125 HydrophobicContact CB-CG 4.37Å; R22-E125 HydrophobicContact CG-CG 3.99Å; R22-E125 IonicContact NE-OE1 3.92Å
23V87.5Confident83.1Confident56 Ų5654.8 Ų54.834%0.33928%0.278SS..Hα-helixtrans-59.5-42177.9171.40000110.7Q19 N20 L21 Y25 Q26 C27Q19-V23 WeakPolarHBondContact O-CG2 3.44Å; Q19-V23 PolarHBondContact O-N 3.17Å; N20-V23 PolarHBondContact O-N 3Å; L21-V23 PolarHBondContact O-N 3.48Å; V23-Y25 PolarHBondContact O-N 2.74Å; V23-Q26 PolarHBondContact O-N 3.07Å; V23-C27 WeakPolarHBondContact O-CB 3.4Å; V23-C27 PolarHBondContact O-N 3.01Å; V23-C27 PolarHBondContact O-SG 3.01Å
24I87.4Confident82.1Confident17 Ų1754.8 Ų54.89%0.08729%0.288CS..Hα-helixtrans-63.3-44.7178.1-61.3164.6000111.2N20 L21 R22 F28 V29 L71 I97 L99N20-I24 WeakPolarHBondContact O-CG1 3.36Å; N20-I24 PolarHBondContact O-N 2.75Å; N20-I24 VanDerWaalsContact O-N 3.14Å; L21-I24 PolarHBondContact O-N 2.89Å; R22-I24 VanDerWaalsContact C-N 3.28Å; R22-I24 PolarHBondContact O-N 2.83Å; I24-F28 HydrophobicContact CB-CD2 4.49Å; I24-F28 HydrophobicContact CG2-CD2 4.21Å; I24-F28 WeakPolarHBondContact O-CA 3.38Å; I24-F28 WeakPolarHBondContact O-CB 3.4Å; I24-F28 PolarHBondContact O-N 3.13Å; I24-V29 HydrophobicContact CG2-CG2 4.38Å; I24-V29 PolarHBondContact O-N 2.83Å; I24-L71 HydrophobicContact CD1-CD2 3.73Å; I24-I97 HydrophobicContact CG2-CD1 4.42Å; I24-I97 HydrophobicContact CG2-CG2 3.55Å; I24-L99 HydrophobicContact CG2-CD2 4.48Å
25Y89Confident81.2Confident6 Ų655.1 Ų55.12%0.02428%0.283CS..Iπ-helixtrans-61.6-45.9175.4-80.1-64000112.7L21 R22 V23 V29 W30 I97 G102 I121 A122L21-Y25 HydrophobicContact CD1-CD2 4.18Å; L21-Y25 HydrophobicContact CD1-CE2 3.69Å; L21-Y25 HydrophobicContact CD2-CE2 4.08Å; L21-Y25 HydrophobicContact CG-CD2 3.94Å; L21-Y25 HydrophobicContact CG-CE2 3.62Å; L21-Y25 VanDerWaalsContact O-CD2 3.28Å; L21-Y25 WeakPolarHBondContact O-CD2 3.42Å; L21-Y25 PolarHBondContact O-N 2.72Å; R22-Y25 PolarHBondContact O-N 2.6Å; V23-Y25 PolarHBondContact O-N 2.74Å; Y25-V29 HydrophobicContact CD1-CB 3.84Å; Y25-V29 HydrophobicContact CD1-CG1 4.03Å; Y25-V29 HydrophobicContact CD1-CG2 3.81Å; Y25-V29 HydrophobicContact CE1-CG1 4.37Å; Y25-V29 HydrophobicContact CE1-CG2 4.3Å; Y25-V29 PolarHBondContact O-N 3.36Å; Y25-W30 AromaticContact CD1-CE2 3.87Å; Y25-W30 HydrophobicContact CD1-CZ2 4.21Å; Y25-W30 AromaticContact CD1-NE1 3.4Å; Y25-W30 HydrophobicContact CE1-CZ2 4.23Å; Y25-W30 AromaticContact CG-NE1 3.99Å; Y25-W30 PolarHBondContact O-N 3.47Å; Y25-I97 HydrophobicContact CD1-CD1 4.11Å; Y25-I97 HydrophobicContact CE1-CD1 3.52Å; Y25-I97 HydrophobicContact CE2-CD1 4.14Å; Y25-G102 PolarHBondContact OH-O 3.37Å; Y25-I121 HydrophobicContact CD2-CG2 4.02Å; Y25-I121 HydrophobicContact CE2-CG2 4.24Å; Y25-A122 HydrophobicContact CD1-CB 4.47Å; Y25-A122 HydrophobicContact CE1-CB 3.72Å; Y25-A122 HydrophobicContact CE2-CB 3.79Å; Y25-A122 WeakPolarHBondContact OH-CB 3.13Å
26Q85.4Confident80.8Confident77 Ų7748.7 Ų48.736%0.3625%0.25SC..Iπ-helixtrans-65.3-46.3-178.1-73.2173.1-4.100112.4R22 V23 S31 E125R22-Q26 WeakPolarHBondContact O-CB 3.5Å; R22-Q26 VanDerWaalsContact O-CG 3.25Å; R22-Q26 WeakPolarHBondContact O-CG 3.19Å; R22-Q26 PolarHBondContact O-N 2.61Å; V23-Q26 PolarHBondContact O-N 3.07Å; Q26-S31 VanDerWaalsContact O-CA 3.27Å; Q26-S31 WeakPolarHBondContact O-CA 3.28Å; Q26-S31 PolarHBondContact O-N 2.93Å; Q26-E125 HydrophobicContact CG-CG 4.4Å; Q26-E125 WeakPolarHBondContact CG-OE2 3.32Å; Q26-E125 PolarHBondContact NE2-OE2 3.39Å
27C80.8Confident79.9Confident32 Ų3247.9 Ų47.922%0.21624%0.237CC..Iπ-helixtrans-86.3-41.9-172.1-64.10000112.7V23 S31V23-C27 WeakPolarHBondContact O-CB 3.4Å; V23-C27 PolarHBondContact O-N 3.01Å; V23-C27 PolarHBondContact O-SG 3.01Å; C27-S31 PolarHBondContact O-OG 3.32Å
28F82.1Confident78.7Confident44 Ų4454.9 Ų54.919%0.19326%0.264CS..Iπ-helixtrans-114.2-28.1-164.4-53.5-59.6000114.2I24 K40 C55 F76 L99I24-F28 HydrophobicContact CB-CD2 4.49Å; I24-F28 HydrophobicContact CG2-CD2 4.21Å; I24-F28 WeakPolarHBondContact O-CA 3.38Å; I24-F28 WeakPolarHBondContact O-CB 3.4Å; I24-F28 PolarHBondContact O-N 3.13Å; F28-K40 WeakPolarHBondContact O-CE 3.44Å; F28-K40 PolarHBondContact O-NZ 3.49Å; F28-C55 VanDerWaalsContact CD1-SG 3.56Å; F28-F76 HydrophobicContact CD1-CE1 4.4Å; F28-F76 HydrophobicContact CD1-CZ 4.15Å; F28-F76 HydrophobicContact CD2-CZ 4.11Å; F28-F76 HydrophobicContact CE1-CZ 4.08Å; F28-F76 HydrophobicContact CE2-CZ 4.06Å; F28-F76 HydrophobicContact CG-CE1 4.28Å; F28-F76 HydrophobicContact CG-CZ 4.16Å; F28-F76 HydrophobicContact CZ-CZ 4.04Å; F28-L99 HydrophobicContact CB-CD2 3.77Å
29V83.2Confident77.2Confident7 Ų756.1 Ų56.14%0.04227%0.266CS..Iπ-helixtrans-92.5-65.5-180-169.90000111.1I24 Y25 K40 I97 L99I24-V29 HydrophobicContact CG2-CG2 4.38Å; I24-V29 PolarHBondContact O-N 2.83Å; Y25-V29 HydrophobicContact CD1-CB 3.84Å; Y25-V29 HydrophobicContact CD1-CG1 4.03Å; Y25-V29 HydrophobicContact CD1-CG2 3.81Å; Y25-V29 HydrophobicContact CE1-CG1 4.37Å; Y25-V29 HydrophobicContact CE1-CG2 4.3Å; Y25-V29 PolarHBondContact O-N 3.36Å; V29-K40 PolarHBondContact O-NZ 2.87Å; V29-I97 HydrophobicContact CG2-CD1 3.9Å; V29-I97 HydrophobicContact CG2-CG1 4.43Å; V29-L99 HydrophobicContact CG2-CD2 4.1Å
30W81.4Confident75.9Confident54 Ų5454.1 Ų54.121%0.20526%0.255CS..SBendtrans-91.1-31.5-172.5-52136000114.2Y25 G32 A122 Q126 A129Y25-W30 AromaticContact CD1-CE2 3.87Å; Y25-W30 HydrophobicContact CD1-CZ2 4.21Å; Y25-W30 AromaticContact CD1-NE1 3.4Å; Y25-W30 HydrophobicContact CE1-CZ2 4.23Å; Y25-W30 AromaticContact CG-NE1 3.99Å; Y25-W30 PolarHBondContact O-N 3.47Å; W30-G32 PolarHBondContact O-N 2.97Å; W30-A122 PolarHBondContact NE1-O 3.23Å; W30-Q126 HydrophobicContact CD2-CB 4.23Å; W30-Q126 HydrophobicContact CD2-CG 4.25Å; W30-Q126 HydrophobicContact CG-CB 4.41Å; W30-Q126 HydrophobicContact CZ2-CB 4.21Å; W30-Q126 HydrophobicContact CZ2-CG 4.34Å; W30-A129 HydrophobicContact CB-CB 3.67Å
31S75.3Confident74.2Confident4 Ų453.8 Ų53.83%0.02826%0.256CS..  trans48.357.7174.5-53.70000113.6Q26 C27 T33 T36 R37 K40Q26-S31 VanDerWaalsContact O-CA 3.27Å; Q26-S31 WeakPolarHBondContact O-CA 3.28Å; Q26-S31 PolarHBondContact O-N 2.93Å; C27-S31 PolarHBondContact O-OG 3.32Å; S31-T33 VanDerWaalsContact C-N 3.29Å; S31-T33 PolarHBondContact O-N 3.09Å; S31-T36 VanDerWaalsContact C-OG1 3.25Å; S31-T36 WeakPolarHBondContact CA-OG1 3.39Å; S31-R37 WeakPolarHBondContact O-CG 3.26Å; S31-R37 PolarHBondContact O-NH1 3.44Å; S31-K40 WeakPolarHBondContact OG-CD 3.49Å
32G64.2Low72.1Confident7 Ų756 Ų567%0.07227%0.271CS..  trans-64.2-24.8-173.400000115.3W30 R37W30-G32 PolarHBondContact O-N 2.97Å; G32-R37 VanDerWaalsContact C-NH1 3.29Å; G32-R37 PolarHBondContact O-NH1 3.11Å
33T67.8Low69.7Low59 Ų5960.4 Ų60.436%0.36229%0.294SS..SBendtrans-102.3154.8-176.865.10000112.6S31 E35 T36 R37 L132S31-T33 VanDerWaalsContact C-N 3.29Å; S31-T33 PolarHBondContact O-N 3.09Å; T33-E35 PolarHBondContact O-N 3.49Å; T33-T36 PolarHBondContact N-OG1 3.44Å; T33-T36 VanDerWaalsContact N-OG1 3.13Å; T33-T36 PolarHBondContact O-N 2.67Å; T33-T36 PolarHBondContact O-OG1 3.34Å; T33-T36 WeakPolarHBondContact OG1-CG2 3.32Å; T33-T36 PolarHBondContact OG1-N 3.16Å; T33-T36 PolarHBondContact OG1-OG1 2.84Å; T33-R37 VanDerWaalsContact C-NH1 3.33Å; T33-R37 WeakPolarHBondContact O-CG 3.24Å; T33-R37 PolarHBondContact O-N 2.76Å; T33-R37 PolarHBondContact O-NH1 2.81Å; T33-L132 HydrophobicContact CG2-CD1 4.3Å
34A63.1Low67.5Low50 Ų5062.5 Ų62.541%0.41331%0.311SS..Hα-helixtrans-57.7-35.3175.600000112.4R38A34-R38 WeakPolarHBondContact O-CG 3.36Å; A34-R38 PolarHBondContact O-N 3.34Å
35E64.1Low65.3Low98 Ų9868.7 Ų68.746%0.45834%0.344SS..Hα-helixtrans-65.4-44.6176.2-171.6-174.916700113T33 R38 R39T33-E35 PolarHBondContact O-N 3.49Å; E35-R38 PolarHBondContact O-N 2.92Å; E35-R39 WeakPolarHBondContact O-CG 3.43Å; E35-R39 PolarHBondContact O-N 2.73Å; E35-R39 VanDerWaalsContact O-N 3.16Å; E35-R39 IonicContact OE1-CZ 3.75Å; E35-R39 VanDerWaalsContact OE1-CZ 3.26Å; E35-R39 IonicContact OE1-NH1 3.12Å; E35-R39 IonicContact OE1-NH2 3.6Å; E35-R39 PolarHBondContact OE1-NH2 2.73Å
36T66.5Low62.7Low15 Ų1572.6 Ų72.69%0.09238%0.378CS..Hα-helixtrans-70-33.2178.750.10000112S31 T33 R39 K40S31-T36 VanDerWaalsContact C-OG1 3.25Å; S31-T36 WeakPolarHBondContact CA-OG1 3.39Å; T33-T36 PolarHBondContact N-OG1 3.44Å; T33-T36 VanDerWaalsContact N-OG1 3.13Å; T33-T36 PolarHBondContact O-N 2.67Å; T33-T36 PolarHBondContact O-OG1 3.34Å; T33-T36 WeakPolarHBondContact OG1-CG2 3.32Å; T33-T36 PolarHBondContact OG1-N 3.16Å; T33-T36 PolarHBondContact OG1-OG1 2.84Å; T36-R39 PolarHBondContact O-N 3.02Å; T36-K40 PolarHBondContact O-N 2.84Å
37R65.4Low60.1Low105 Ų10572.6 Ų72.640%0.39640%0.399SS..Hα-helixtrans-64.4-45.6171.1-68.9-169-67.9-84.712.1112.3S31 G32 T33 R39 K40 V41S31-R37 WeakPolarHBondContact O-CG 3.26Å; S31-R37 PolarHBondContact O-NH1 3.44Å; G32-R37 VanDerWaalsContact C-NH1 3.29Å; G32-R37 PolarHBondContact O-NH1 3.11Å; T33-R37 VanDerWaalsContact C-NH1 3.33Å; T33-R37 WeakPolarHBondContact O-CG 3.24Å; T33-R37 PolarHBondContact O-N 2.76Å; T33-R37 PolarHBondContact O-NH1 2.81Å; R37-R39 PolarHBondContact O-N 2.94Å; R37-K40 PolarHBondContact O-N 2.98Å; R37-V41 PolarHBondContact O-N 3.44Å
38R60.9Low57.9Low172 Ų17283 Ų8365%0.64943%0.433SS*.Hα-helixtrans-58.9-29174.6-76.4-173.8-68.7-133.94113.2A34 E35A34-R38 WeakPolarHBondContact O-CG 3.36Å; A34-R38 PolarHBondContact O-N 3.34Å; E35-R38 PolarHBondContact O-N 2.92Å
39R60.8Low55.6Low126 Ų12686.5 Ų86.548%0.47546%0.459SS..Hα-helixtrans-79.5-23.7174.7-70.7-179.4179.5156.58.1113.9E35 T36 R37E35-R39 WeakPolarHBondContact O-CG 3.43Å; E35-R39 PolarHBondContact O-N 2.73Å; E35-R39 VanDerWaalsContact O-N 3.16Å; E35-R39 IonicContact OE1-CZ 3.75Å; E35-R39 VanDerWaalsContact OE1-CZ 3.26Å; E35-R39 IonicContact OE1-NH1 3.12Å; E35-R39 IonicContact OE1-NH2 3.6Å; E35-R39 PolarHBondContact OE1-NH2 2.73Å; T36-R39 PolarHBondContact O-N 3.02Å; R37-R39 PolarHBondContact O-N 2.94Å
40K60.8Low53.3Low59 Ų5990.4 Ų90.426%0.25748%0.479SS..Hα-helixtrans-88.4-32.4-179.1-173.3169.4176.4162.80112.8F28 V29 S31 T36 R37 H63 L99F28-K40 WeakPolarHBondContact O-CE 3.44Å; F28-K40 PolarHBondContact O-NZ 3.49Å; V29-K40 PolarHBondContact O-NZ 2.87Å; S31-K40 WeakPolarHBondContact OG-CD 3.49Å; T36-K40 PolarHBondContact O-N 2.84Å; R37-K40 PolarHBondContact O-N 2.98Å; K40-H63 PolarHBondContact O-NE2 3.06Å; K40-L99 PolarHBondContact NZ-O 2.97Å
41V50.9Low51.4Low76 Ų7694.5 Ų94.546%0.46151%0.505SS..SBendtrans-102.6134-176.6-174.60000110.4R37 Q43R37-V41 PolarHBondContact O-N 3.44Å; V41-Q43 PolarHBondContact O-N 3.46Å
42P45.9Very low50Low48 Ų4894.7 Ų94.731%0.31251%0.507SS..  trans-66.6130172.6-7.721.1000110.1S44 A52P42-S44 PolarHBondContact O-N 3.5Å; P42-A52 HydrophobicContact CB-CB 4.31Å; P42-A52 HydrophobicContact CG-CB 4.32Å
43Q40.6Very low49.5Very low157 Ų157101.6 Ų101.673%0.73454%0.535SS*.  trans-82.2104.3168.8-160.5172.47.800107.2V41V41-Q43 PolarHBondContact O-N 3.46Å
44S42.5Very low49.1Very low100 Ų100100.7 Ų100.770%0.69953%0.531SS*.  trans-112.278.9172.961.10000109.1P42P42-S44 PolarHBondContact O-N 3.5Å
45D40.3Very low49.6Very low146 Ų14698.7 Ų98.778%0.78151%0.513SS*.SBendtrans-160.619.3167.1-93.4-24.7000114.5
46A34.4Very low50.6Low89 Ų8996.7 Ų96.774%0.73651%0.505SS*.SBendtrans-139.5137.2163.800000108.2
47G31.2Very low51.5Low77 Ų7796 Ų9679%0.79450%0.501SS*.SBendtrans-44.6140.8-17400000113.5T49G47-T49 PolarHBondContact O-N 3.32Å
48W35.4Very low52.6Low249 Ų24995.9 Ų95.994%0.94351%0.505SS*.SBendtrans24.393160.7-11661.9000115.6
49T32.4Very low53.9Low119 Ų11993.3 Ų93.373%0.7350%0.502SS*.SBendtrans127.774.5154.465.90000114.8G47G47-T49 PolarHBondContact O-N 3.32Å
50D36.2Very low55.1Low88 Ų8889.6 Ų89.647%0.47150%0.495SS..  trans-178.378.4133.4-104-2.1000110.3K53D50-K53 WeakPolarHBondContact OD1-CE 3.27Å; D50-K53 IonicContact OD1-NZ 2.84Å; D50-K53 PolarHBondContact OD1-NZ 3.44Å; D50-K53 IonicContact OD2-NZ 3.36Å; D50-K53 PolarHBondContact OD2-NZ 2.82Å
51L40.3Very low56.1Low141 Ų14189 Ų8974%0.73850%0.504SS*.  trans-57.4148.8160.5-94.676000108.9K53L51-K53 PolarHBondContact O-N 2.79Å
52A46.1Very low57.4Low8 Ų886.3 Ų86.37%0.06649%0.49CS..  trans-42.8108.917400000111.4P42 S54P42-A52 HydrophobicContact CB-CB 4.31Å; P42-A52 HydrophobicContact CG-CB 4.32Å; A52-S54 PolarHBondContact O-N 2.82Å; A52-S54 VanDerWaalsContact O-N 3.08Å
53K53Low58.5Low152 Ų15286.5 Ų86.566%0.66149%0.487SS*.SBendtrans-66.4-14-168.6-80.4178.6170.9142.20114.6D50 L51D50-K53 WeakPolarHBondContact OD1-CE 3.27Å; D50-K53 IonicContact OD1-NZ 2.84Å; D50-K53 PolarHBondContact OD1-NZ 3.44Å; D50-K53 IonicContact OD2-NZ 3.36Å; D50-K53 PolarHBondContact OD2-NZ 2.82Å; L51-K53 PolarHBondContact O-N 2.79Å
54S60.5Low59.6Low40 Ų4085.7 Ų85.728%0.2849%0.487SS..SBendtrans-128.9-25.8-159.4-45.10000116.7A52A52-S54 PolarHBondContact O-N 2.82Å; A52-S54 VanDerWaalsContact O-N 3.08Å
55C73.5Confident60.7Low7 Ų785 Ų855%0.04748%0.475CS..SBendtrans-111.651.2-173.2-74.20000113.2F28 H63 L67F28-C55 VanDerWaalsContact CD1-SG 3.56Å; C55-H63 PolarHBondContact O-CD2 2.79Å; C55-H63 VanDerWaalsContact O-CD2 3.27Å; C55-L67 VanDerWaalsContact C-CD2 3.41Å; C55-L67 HydrophobicContact CB-CD2 4.37Å; C55-L67 WeakPolarHBondContact O-CD2 3.25Å
56I84.4Confident62.7Low56 Ų5682.3 Ų82.329%0.28745%0.454SS..SBendtrans-120.8152.2176.258.5173.1000111H58 H63 F76I56-H58 PolarHBondContact O-N 3.14Å; I56-H58 PolarHBondContact O-ND1 3.45Å; I56-H63 HydrophobicContact CG2-CB 4.47Å; I56-F76 WeakPolarHBondContact O-CB 3.41Å
57C85.8Confident65.3Low1 Ų178.6 Ų78.61%0.00742%0.422CS..  trans-64.6123.2170.1-178.40000109.8M59 C60 G61 A62 L67 F76 C78 H83C57-M59 PolarHBondContact O-N 2.78Å; C57-M59 VanDerWaalsContact O-N 3.12Å; C57-C60 PolarHBondContact O-N 3.15Å; C57-G61 WeakPolarHBondContact O-CA 3.37Å; C57-G61 PolarHBondContact O-N 3.37Å; C57-A62 HydrophobicContact CB-CB 4.34Å; C57-A62 PolarHBondContact N-O 3.47Å; C57-L67 HydrophobicContact CB-CD1 3.9Å; C57-F76 WeakPolarHBondContact CA-O 3.5Å; C57-C78 HydrophobicContact CB-CB 4.14Å; C57-C78 PolarHBondContact SG-N 2.85Å; C57-C78 VanDerWaalsContact SG-N 3.38Å; C57-H83 PolarHBondContact SG-ND1 3.18Å
58H89.1Confident68.2Low102 Ų10275 Ų7547%0.47238%0.384SS..THydrogen-bonded Turntrans-64.2-19.3-177.5-74.857.6000113.6I56 F75 F76I56-H58 PolarHBondContact O-N 3.14Å; I56-H58 PolarHBondContact O-ND1 3.45Å; H58-F75 HydrophobicContact CB-CD2 3.97Å; H58-F75 HydrophobicContact CB-CE2 3.62Å; H58-F75 HydrophobicContact CB-CZ 4.26Å; H58-F76 AromaticContact CE1-CD2 3.49Å; H58-F76 VanDerWaalsContact CE1-CD2 3.49Å; H58-F76 WeakPolarHBondContact CE1-CD2 3.34Å; H58-F76 PolarHBondContact N-O 3.2Å; H58-F76 PolarHBondContact ND1-N 3.24Å; H58-F76 VanDerWaalsContact ND1-N 3.2Å; H58-F76 PolarHBondContact ND1-O 2.82Å
59M87.2Confident70.9Confident119 Ų11963.3 Ų63.359%0.58634%0.341SS*.THydrogen-bonded Turntrans-93.3-36.5-177.9-63.4-57.9-58.300113.4C57 F75 H83C57-M59 PolarHBondContact O-N 2.78Å; C57-M59 VanDerWaalsContact O-N 3.12Å; M59-F75 HydrophobicContact CG-CE2 4.49Å; M59-F75 HydrophobicContact CG-CZ 4.02Å; M59-F75 HydrophobicContact SD-CZ 4.5Å; M59-H83 HydrophobicContact CB-CB 4.2Å; M59-H83 HydrophobicContact CG-CB 3.93Å
60C87Confident73.9Confident48 Ų4857.8 Ų57.832%0.32431%0.307SS..THydrogen-bonded Turntrans-130.14.4-170.7650000114.7C57 A62 H83C57-C60 PolarHBondContact O-N 3.15Å; C60-A62 PolarHBondContact O-N 3.3Å; C60-A62 WeakPolarHBondContact SG-CB 3.39Å; C60-H83 VanDerWaalsContact SG-CE1 3.54Å
61G81.6Confident76.5Confident45 Ų4554 Ų5446%0.46429%0.287SS..  trans65.92.4-178.100000114.7C57 H63C57-G61 WeakPolarHBondContact O-CA 3.37Å; C57-G61 PolarHBondContact O-N 3.37Å; G61-H63 PolarHBondContact O-N 3.07Å
62A77.4Confident78.9Confident20 Ų2051.2 Ų51.217%0.16527%0.267CS..  trans-63.9132-177.100000111.4C57 C60 N65C57-A62 HydrophobicContact CB-CB 4.34Å; C57-A62 PolarHBondContact N-O 3.47Å; C60-A62 PolarHBondContact O-N 3.3Å; C60-A62 WeakPolarHBondContact SG-CB 3.39Å; A62-N65 HydrophobicContact CB-CB 4.48Å
63H69.9Low81.1Confident53 Ų5353.1 Ų53.125%0.24528%0.28CS..  trans-103.6152.8171.6-173.9-105.9000108.7K40 C55 I56 G61 N65K40-H63 PolarHBondContact O-NE2 3.06Å; C55-H63 PolarHBondContact O-CD2 2.79Å; C55-H63 VanDerWaalsContact O-CD2 3.27Å; I56-H63 HydrophobicContact CG2-CB 4.47Å; G61-H63 PolarHBondContact O-N 3.07Å; H63-N65 PolarHBondContact O-N 3.04Å
64L63.9Low82.8Confident139 Ų13951.8 Ų51.873%0.72828%0.284SS*.SBendtrans60.5-9.6175.2-64.6156.7000118.8R66L64-R66 VanDerWaalsContact C-N 3.28Å; L64-R66 PolarHBondContact O-N 3.47Å
65N64.4Low84.3Confident85 Ų8551.4 Ų51.446%0.45528%0.277SS..SBendtrans-76.270.5177.3-88.8-33.9000112.9A62 H63 L67 C78A62-N65 HydrophobicContact CB-CB 4.48Å; H63-N65 PolarHBondContact O-N 3.04Å; N65-L67 VanDerWaalsContact C-N 3.32Å; N65-L67 PolarHBondContact O-N 3.01Å; N65-C78 HydrophobicContact CB-CB 4.49Å
66R83.4Confident85.2Confident90 Ų9051.7 Ų51.734%0.3428%0.278SS..SBendtrans40.460.9-179.6-163.2-174.9173.1-171.3-4.7111.2L64 H68 F79 D98 Y112L64-R66 VanDerWaalsContact C-N 3.28Å; L64-R66 PolarHBondContact O-N 3.47Å; R66-H68 PolarHBondContact O-ND1 2.97Å; R66-F79 HydrophobicContact CB-CB 4.15Å; R66-F79 HydrophobicContact CG-CB 4.14Å; R66-F79 VanDerWaalsContact O-CB 3.3Å; R66-F79 WeakPolarHBondContact O-CB 3.45Å; R66-F79 PolarHBondContact O-N 3.31Å; R66-F79 VanDerWaalsContact O-N 3.11Å; R66-D98 IonicContact NE-OD2 3.71Å; R66-D98 PolarHBondContact NE-OD2 3.49Å; R66-Y112 PolarHBondContact NH2-OH 3.19Å
67L88.7Confident85.5Confident12 Ų1249 Ų496%0.06326%0.264CS..EExtended strand (participates in β ladder)trans-74.4136.6-173.3-167.670.2000110.2C55 C57 N65 F76 L99C55-L67 VanDerWaalsContact C-CD2 3.41Å; C55-L67 HydrophobicContact CB-CD2 4.37Å; C55-L67 WeakPolarHBondContact O-CD2 3.25Å; C57-L67 HydrophobicContact CB-CD1 3.9Å; N65-L67 VanDerWaalsContact C-N 3.32Å; N65-L67 PolarHBondContact O-N 3.01Å; L67-F76 HydrophobicContact CD1-CB 4.33Å; L67-F76 HydrophobicContact CD2-CB 4.3Å; L67-F76 HydrophobicContact CD2-CD1 4.1Å; L67-F76 HydrophobicContact CG-CB 4.39Å; L67-F76 HydrophobicContact CG-CD1 4.48Å; L67-L99 HydrophobicContact CB-CD1 4.27Å; L67-L99 HydrophobicContact CD2-CD1 3.93Å; L67-L99 HydrophobicContact CG-CD1 4.07Å; L67-L99 WeakPolarHBondContact O-CB 3.4Å; L67-L99 WeakPolarHBondContact O-CG 3Å; L67-L99 PolarHBondContact O-N 3.17Å
68H92.4Very high85.8Confident0 Ų049 Ų490%026%0.264CS..EExtended strand (participates in β ladder)trans-117.9139.6178-73.166.5000110.4R66 F76 G77 F79 I84 A96 I97 D98R66-H68 PolarHBondContact O-ND1 2.97Å; H68-F76 WeakPolarHBondContact O-CA 3.48Å; H68-G77 PolarHBondContact N-O 3.19Å; H68-G77 PolarHBondContact O-N 2.97Å; H68-F79 AromaticContact CE1-CD2 3.31Å; H68-F79 WeakPolarHBondContact CE1-CD2 3.35Å; H68-F79 AromaticContact CE1-CG 3.77Å; H68-F79 AromaticContact ND1-CD2 3.82Å; H68-F79 AromaticContact NE2-CD2 3.65Å; H68-I84 HydrophobicContact CB-CB 4.29Å; H68-I84 HydrophobicContact CB-CD1 4.3Å; H68-I84 HydrophobicContact CB-CG1 3.83Å; H68-I84 HydrophobicContact CB-CG2 4.3Å; H68-A96 HydrophobicContact CB-CB 4.11Å; H68-I97 CarbonylContact C-O 3.56Å; H68-I97 VanDerWaalsContact CA-O 3.24Å; H68-I97 WeakPolarHBondContact CA-O 2.95Å; H68-D98 IonicContact CE1-OD2 3.68Å; H68-D98 IonicContact NE2-OD2 2.73Å
69S92.7Very high85.8Confident4 Ų446 Ų463%0.02825%0.25CC..EExtended strand (participates in β ladder)trans-99129.9170.6179.80000109.6A96 I97S69-A96 CarbonylContact O-C 3.51Å; S69-A96 WeakPolarHBondContact O-CA 3.45Å; S69-A96 VanDerWaalsContact O-CB 3.29Å; S69-A96 WeakPolarHBondContact O-CB 3.49Å; S69-I97 PolarHBondContact N-O 3.41Å; S69-I97 PolarHBondContact O-N 3.38Å
70C93.4Very high85.8Confident3 Ų345 Ų452%0.0225%0.25CS..EExtended strand (participates in β ladder)trans-65.9135174.1-177.60000110.2Y72 F75 H93C70-Y72 VanDerWaalsContact C-N 3.26Å; C70-Y72 PolarHBondContact O-N 3.43Å; C70-Y72 PolarHBondContact SG-N 2.96Å; C70-F75 HydrophobicContact CB-CB 4.29Å; C70-F75 WeakPolarHBondContact CB-O 3.27Å; C70-F75 PolarHBondContact N-O 3.4Å; C70-H93 PolarHBondContact SG-ND1 2.91Å; C70-H93 VanDerWaalsContact SG-ND1 3.42Å
71L92.5Very high85.8Confident10 Ų1048.8 Ų48.85%0.05226%0.261CS..SBendtrans-75.9-16.7178.2-69-170.4000113.4Y12 L21 I24 L95 I97 I104Y12-L71 HydrophobicContact CD1-CD1 4.45Å; Y12-L71 HydrophobicContact CD2-CB 4.22Å; Y12-L71 HydrophobicContact CE1-CB 4.49Å; Y12-L71 HydrophobicContact CE1-CD1 4.14Å; Y12-L71 HydrophobicContact CE2-CB 3.67Å; Y12-L71 WeakPolarHBondContact CE2-O 3.37Å; Y12-L71 PolarHBondContact OH-O 3.34Å; L21-L71 HydrophobicContact CD1-CD2 4.09Å; I24-L71 HydrophobicContact CD1-CD2 3.73Å; L71-L95 HydrophobicContact CB-CB 4.25Å; L71-L95 HydrophobicContact CD1-CB 3.82Å; L71-L95 HydrophobicContact CD1-CD1 4.34Å; L71-L95 HydrophobicContact CG-CB 4.23Å; L71-L95 PolarHBondContact N-O 3.32Å; L71-L95 VanDerWaalsContact N-O 3.12Å; L71-I97 HydrophobicContact CD2-CB 4.04Å; L71-I97 HydrophobicContact CD2-CG2 3.83Å; L71-I104 HydrophobicContact CD1-CD1 4.42Å; L71-I104 HydrophobicContact CD1-CG2 3.95Å
72Y90.2Very high86.4Confident81 Ų8153 Ų5332%0.31827%0.267SS..SBendtrans-99-18.2-174.4-59.1-91.3000113.8Y12 C70 H93 L95Y12-Y72 HydrophobicContact CD2-CD1 4.08Å; Y12-Y72 AromaticContact CD2-CE1 3.73Å; Y12-Y72 HydrophobicContact CD2-CE1 3.73Å; Y12-Y72 AromaticContact CD2-CZ 3.98Å; C70-Y72 VanDerWaalsContact C-N 3.26Å; C70-Y72 PolarHBondContact O-N 3.43Å; C70-Y72 PolarHBondContact SG-N 2.96Å; Y72-H93 HydrophobicContact CD2-CB 3.69Å; Y72-H93 HydrophobicContact CE2-CB 4.38Å; Y72-H93 HydrophobicContact CG-CB 4.24Å; Y72-H93 AromaticContact CG-CD2 3.9Å; Y72-L95 HydrophobicContact CE2-CB 3.72Å; Y72-L95 HydrophobicContact CE2-CD1 4.36Å; Y72-L95 HydrophobicContact CE2-CG 4.01Å; Y72-L95 WeakPolarHBondContact OH-CD1 3.44Å; Y72-L95 WeakPolarHBondContact OH-CG 3.16Å
73C91.4Very high87.1Confident49 Ų4953.4 Ų53.433%0.33127%0.265SS..SBendtrans-156.8176.6-178.572.70000112.1F75 H87C73-F75 PolarHBondContact O-N 2.84Å; C73-F75 VanDerWaalsContact SG-CB 3.57Å; C73-H87 VanDerWaalsContact SG-CE1 3.53Å; C73-H87 PolarHBondContact SG-NE2 3.43Å; C73-H87 VanDerWaalsContact SG-NE2 3.44Å
74V90.2Very high88.3Confident124 Ų12451 Ų5175%0.75225%0.254SS*.SBendtrans-72.810-176.9-590000115F76V74-F76 WeakPolarHBondContact O-CD2 3.49Å; V74-F76 WeakPolarHBondContact O-CE2 3.49Å
75F91.9Very high89.8Confident32 Ų3246.9 Ų46.914%0.1423%0.231CC..  trans-79.6134-173.7-174-93.6000112.6H58 M59 C70 C73 I84 H87H58-F75 HydrophobicContact CB-CD2 3.97Å; H58-F75 HydrophobicContact CB-CE2 3.62Å; H58-F75 HydrophobicContact CB-CZ 4.26Å; M59-F75 HydrophobicContact CG-CE2 4.49Å; M59-F75 HydrophobicContact CG-CZ 4.02Å; M59-F75 HydrophobicContact SD-CZ 4.5Å; C70-F75 HydrophobicContact CB-CB 4.29Å; C70-F75 WeakPolarHBondContact CB-O 3.27Å; C70-F75 PolarHBondContact N-O 3.4Å; C73-F75 PolarHBondContact O-N 2.84Å; C73-F75 VanDerWaalsContact SG-CB 3.57Å; F75-I84 HydrophobicContact CD1-CD1 4.07Å; F75-I84 HydrophobicContact CE1-CD1 4.32Å; F75-H87 VanDerWaalsContact CB-CE1 3.44Å; F75-H87 WeakPolarHBondContact CB-CE1 3.5Å; F75-H87 HydrophobicContact CD1-CB 3.74Å; F75-H87 AromaticContact CD1-CD2 3.82Å; F75-H87 AromaticContact CD1-CE1 3.84Å; F75-H87 AromaticContact CD1-CG 3.35Å; F75-H87 AromaticContact CD1-ND1 3.38Å; F75-H87 WeakPolarHBondContact CD1-ND1 3.44Å; F75-H87 AromaticContact CD2-ND1 3.71Å; F75-H87 HydrophobicContact CE1-CB 3.42Å; F75-H87 VanDerWaalsContact CE1-CB 3.42Å; F75-H87 AromaticContact CE1-CG 3.6Å; F75-H87 AromaticContact CE1-ND1 3.76Å; F75-H87 AromaticContact CG-CE1 3.53Å; F75-H87 AromaticContact CG-CG 3.83Å; F75-H87 AromaticContact CG-ND1 3.34Å; F75-H87 VanDerWaalsContact CG-ND1 3.34Å; F75-H87 WeakPolarHBondContact CG-ND1 3.48Å; F75-H87 HydrophobicContact CZ-CB 4.01Å
76F91.8Very high91.2Very high12 Ų1248 Ų485%0.05323%0.234CC..EExtended strand (participates in β ladder)trans-116.5127.2172.7-65.2-105.6000110.6F28 I56 C57 H58 L67 H68 V74 L99F28-F76 HydrophobicContact CD1-CE1 4.4Å; F28-F76 HydrophobicContact CD1-CZ 4.15Å; F28-F76 HydrophobicContact CD2-CZ 4.11Å; F28-F76 HydrophobicContact CE1-CZ 4.08Å; F28-F76 HydrophobicContact CE2-CZ 4.06Å; F28-F76 HydrophobicContact CG-CE1 4.28Å; F28-F76 HydrophobicContact CG-CZ 4.16Å; F28-F76 HydrophobicContact CZ-CZ 4.04Å; I56-F76 WeakPolarHBondContact O-CB 3.41Å; C57-F76 WeakPolarHBondContact CA-O 3.5Å; H58-F76 AromaticContact CE1-CD2 3.49Å; H58-F76 VanDerWaalsContact CE1-CD2 3.49Å; H58-F76 WeakPolarHBondContact CE1-CD2 3.34Å; H58-F76 PolarHBondContact N-O 3.2Å; H58-F76 PolarHBondContact ND1-N 3.24Å; H58-F76 VanDerWaalsContact ND1-N 3.2Å; H58-F76 PolarHBondContact ND1-O 2.82Å; L67-F76 HydrophobicContact CD1-CB 4.33Å; L67-F76 HydrophobicContact CD2-CB 4.3Å; L67-F76 HydrophobicContact CD2-CD1 4.1Å; L67-F76 HydrophobicContact CG-CB 4.39Å; L67-F76 HydrophobicContact CG-CD1 4.48Å; H68-F76 WeakPolarHBondContact O-CA 3.48Å; V74-F76 WeakPolarHBondContact O-CD2 3.49Å; V74-F76 WeakPolarHBondContact O-CE2 3.49Å; F76-L99 HydrophobicContact CD1-CD1 3.62Å; F76-L99 HydrophobicContact CE1-CD1 3.62Å
77G91.4Very high91.8Very high0 Ų044.5 Ų44.50%022%0.221CC..EExtended strand (participates in β ladder)trans-132.1138.5-177.200000112.1H68H68-G77 PolarHBondContact N-O 3.19Å; H68-G77 PolarHBondContact O-N 2.97Å
78C91.1Very high92.1Very high2 Ų244.1 Ų44.11%0.01422%0.219CC..EExtended strand (participates in β ladder)trans-74.5139.5173.763.30000110.6C57 N65 H83C57-C78 HydrophobicContact CB-CB 4.14Å; C57-C78 PolarHBondContact SG-N 2.85Å; C57-C78 VanDerWaalsContact SG-N 3.38Å; N65-C78 HydrophobicContact CB-CB 4.49Å; C78-H83 PolarHBondContact O-N 3.22Å; C78-H83 PolarHBondContact SG-ND1 2.86Å
79F89.1Confident92.2Very high39 Ų3952.9 Ų52.917%0.17126%0.257CS..SBendtrans-71.9-40.8177.5-162.7-87.2000111.8R66 H68 K81 K82 I84 H85 Y105R66-F79 HydrophobicContact CB-CB 4.15Å; R66-F79 HydrophobicContact CG-CB 4.14Å; R66-F79 VanDerWaalsContact O-CB 3.3Å; R66-F79 WeakPolarHBondContact O-CB 3.45Å; R66-F79 PolarHBondContact O-N 3.31Å; R66-F79 VanDerWaalsContact O-N 3.11Å; H68-F79 AromaticContact CE1-CD2 3.31Å; H68-F79 WeakPolarHBondContact CE1-CD2 3.35Å; H68-F79 AromaticContact CE1-CG 3.77Å; H68-F79 AromaticContact ND1-CD2 3.82Å; H68-F79 AromaticContact NE2-CD2 3.65Å; F79-K81 PolarHBondContact O-N 2.83Å; F79-K82 PolarHBondContact O-N 3.35Å; F79-I84 HydrophobicContact CD2-CG2 4.25Å; F79-H85 AromaticContact CD2-CE1 3.54Å; F79-H85 AromaticContact CE1-CE1 3.87Å; F79-H85 AromaticContact CE2-CE1 3.33Å; F79-H85 WeakPolarHBondContact CE2-CE1 3.48Å; F79-H85 AromaticContact CE2-NE2 3.66Å; F79-H85 AromaticContact CG-CE1 3.91Å; F79-H85 AromaticContact CZ-CE1 3.5Å; F79-H85 AromaticContact CZ-NE2 3.62Å; F79-Y105 HydrophobicContact CE2-CD1 4.43Å; F79-Y105 HydrophobicContact CE2-CE1 4.33Å
80T86.6Confident92.3Very high97 Ų9756.9 Ų56.960%0.59529%0.285SS*.THydrogen-bonded Turntrans-59.8-46.6-173.1-45.50000113.3K82T80-K82 VanDerWaalsContact C-N 3.28Å; T80-K82 PolarHBondContact O-N 3.03Å
81K88.3Confident92.3Very high128 Ų12863.1 Ų63.156%0.55731%0.312SS*.THydrogen-bonded Turntrans-89.813.3176-56.1-174.3175.7-176.70113.2F79 H83F79-K81 PolarHBondContact O-N 2.83Å; K81-H83 PolarHBondContact O-N 3.15Å
82K92.6Very high92.3Very high133 Ų13372.6 Ų72.658%0.57835%0.347SS*.  trans59.311.1177-59.8-177.2178.8178.40117.1F79 T80 I84 H85 E86F79-K82 PolarHBondContact O-N 3.35Å; T80-K82 VanDerWaalsContact C-N 3.28Å; T80-K82 PolarHBondContact O-N 3.03Å; K82-I84 VanDerWaalsContact C-N 3.27Å; K82-I84 PolarHBondContact O-N 2.87Å; K82-H85 HydrophobicContact CB-CB 4.25Å; K82-H85 WeakPolarHBondContact O-CA 3.21Å; K82-H85 VanDerWaalsContact O-CB 3.3Å; K82-H85 WeakPolarHBondContact O-CB 3.23Å; K82-H85 PolarHBondContact O-N 3.09Å; K82-E86 PolarHBondContact O-N 3.21Å
83H93.9Very high92.5Very high29 Ų2970.7 Ų70.713%0.13434%0.341CS..Hα-helixtrans-57.1-35.4177.4-62.6143.2000114C57 M59 C60 C78 K81 H85 E86 H87C57-H83 PolarHBondContact SG-ND1 3.18Å; M59-H83 HydrophobicContact CB-CB 4.2Å; M59-H83 HydrophobicContact CG-CB 3.93Å; C60-H83 VanDerWaalsContact SG-CE1 3.54Å; C78-H83 PolarHBondContact O-N 3.22Å; C78-H83 PolarHBondContact SG-ND1 2.86Å; K81-H83 PolarHBondContact O-N 3.15Å; H83-H85 VanDerWaalsContact C-N 3.32Å; H83-E86 IonicContact CD2-OE2 3.62Å; H83-H87 WeakPolarHBondContact O-CB 3.49Å; H83-H87 PolarHBondContact O-N 3.49Å
84I94.7Very high92.6Very high1 Ų170.4 Ų70.41%0.00534%0.337CS..Hα-helixtrans-69.9-30.3174-16767000112.4H68 F75 F79 K82 A88 A96 F107H68-I84 HydrophobicContact CB-CB 4.29Å; H68-I84 HydrophobicContact CB-CD1 4.3Å; H68-I84 HydrophobicContact CB-CG1 3.83Å; H68-I84 HydrophobicContact CB-CG2 4.3Å; F75-I84 HydrophobicContact CD1-CD1 4.07Å; F75-I84 HydrophobicContact CE1-CD1 4.32Å; F79-I84 HydrophobicContact CD2-CG2 4.25Å; K82-I84 VanDerWaalsContact C-N 3.27Å; K82-I84 PolarHBondContact O-N 2.87Å; I84-A88 VanDerWaalsContact O-CB 3.32Å; I84-A88 WeakPolarHBondContact O-CB 3.31Å; I84-A88 PolarHBondContact O-N 2.98Å; I84-A96 HydrophobicContact CD1-CB 4.2Å; I84-A96 HydrophobicContact CG1-CB 4.01Å; I84-F107 HydrophobicContact CB-CZ 4.2Å; I84-F107 HydrophobicContact CG1-CE1 4.47Å; I84-F107 HydrophobicContact CG1-CE2 4.06Å; I84-F107 HydrophobicContact CG1-CZ 3.53Å; I84-F107 HydrophobicContact CG2-CE1 4.02Å; I84-F107 HydrophobicContact CG2-CZ 3.81Å
85H94.7Very high92.8Very high53 Ų5364.5 Ų64.525%0.24530%0.301CS..Hα-helixtrans-72-41.6176.8-61.572.6000110.9F79 K82 H83 H87 A88 K89 F107F79-H85 AromaticContact CD2-CE1 3.54Å; F79-H85 AromaticContact CE1-CE1 3.87Å; F79-H85 AromaticContact CE2-CE1 3.33Å; F79-H85 WeakPolarHBondContact CE2-CE1 3.48Å; F79-H85 AromaticContact CE2-NE2 3.66Å; F79-H85 AromaticContact CG-CE1 3.91Å; F79-H85 AromaticContact CZ-CE1 3.5Å; F79-H85 AromaticContact CZ-NE2 3.62Å; K82-H85 HydrophobicContact CB-CB 4.25Å; K82-H85 WeakPolarHBondContact O-CA 3.21Å; K82-H85 VanDerWaalsContact O-CB 3.3Å; K82-H85 WeakPolarHBondContact O-CB 3.23Å; K82-H85 PolarHBondContact O-N 3.09Å; H83-H85 VanDerWaalsContact C-N 3.32Å; H85-H87 VanDerWaalsContact C-N 3.34Å; H85-A88 PolarHBondContact O-N 3Å; H85-K89 WeakPolarHBondContact O-CB 3.44Å; H85-K89 PolarHBondContact O-N 3.01Å; H85-F107 HydrophobicContact CB-CD1 4.47Å; H85-F107 HydrophobicContact CB-CE1 4.41Å; H85-F107 AromaticContact CD2-CD1 3.65Å; H85-F107 AromaticContact CD2-CE1 3.7Å; H85-F107 AromaticContact CG-CD1 4Å; H85-F107 AromaticContact CG-CE1 3.76Å; H85-F107 AromaticContact ND1-CE1 3.95Å; H85-F107 AromaticContact NE2-CE1 3.88Å
86E94.9Very high92.9Very high109 Ų10963 Ų6351%0.50929%0.294SS..Hα-helixtrans-62.9-42.1174.3-68.9171.6177.300111.3K82 H83 K89 S90K82-E86 PolarHBondContact O-N 3.21Å; H83-E86 IonicContact CD2-OE2 3.62Å; E86-K89 PolarHBondContact O-N 2.82Å; E86-S90 VanDerWaalsContact O-CB 3.31Å; E86-S90 WeakPolarHBondContact O-CB 3.29Å; E86-S90 PolarHBondContact O-N 3.12Å; E86-S90 PolarHBondContact O-OG 3.16Å
87H95.5Very high93Very high17 Ų1762.4 Ų62.48%0.07929%0.292CS..Hα-helixtrans-59.9-51.2172.717885.8000111.8C73 F75 H83 H85 K89 S90 K91 H93C73-H87 VanDerWaalsContact SG-CE1 3.53Å; C73-H87 PolarHBondContact SG-NE2 3.43Å; C73-H87 VanDerWaalsContact SG-NE2 3.44Å; F75-H87 VanDerWaalsContact CB-CE1 3.44Å; F75-H87 WeakPolarHBondContact CB-CE1 3.5Å; F75-H87 HydrophobicContact CD1-CB 3.74Å; F75-H87 AromaticContact CD1-CD2 3.82Å; F75-H87 AromaticContact CD1-CE1 3.84Å; F75-H87 AromaticContact CD1-CG 3.35Å; F75-H87 AromaticContact CD1-ND1 3.38Å; F75-H87 WeakPolarHBondContact CD1-ND1 3.44Å; F75-H87 AromaticContact CD2-ND1 3.71Å; F75-H87 HydrophobicContact CE1-CB 3.42Å; F75-H87 VanDerWaalsContact CE1-CB 3.42Å; F75-H87 AromaticContact CE1-CG 3.6Å; F75-H87 AromaticContact CE1-ND1 3.76Å; F75-H87 AromaticContact CG-CE1 3.53Å; F75-H87 AromaticContact CG-CG 3.83Å; F75-H87 AromaticContact CG-ND1 3.34Å; F75-H87 VanDerWaalsContact CG-ND1 3.34Å; F75-H87 WeakPolarHBondContact CG-ND1 3.48Å; F75-H87 HydrophobicContact CZ-CB 4.01Å; H83-H87 WeakPolarHBondContact O-CB 3.49Å; H83-H87 PolarHBondContact O-N 3.49Å; H85-H87 VanDerWaalsContact C-N 3.34Å; H87-K89 VanDerWaalsContact C-N 3.28Å; H87-K89 PolarHBondContact O-N 3.19Å; H87-S90 PolarHBondContact O-N 3.29Å; H87-S90 PolarHBondContact O-OG 3.26Å; H87-S90 VanDerWaalsContact O-OG 3.12Å; H87-K91 WeakPolarHBondContact O-CB 3.45Å; H87-K91 PolarHBondContact O-N 2.89Å; H87-H93 AromaticContact CD2-ND1 3.94Å; H87-H93 AromaticContact CE1-ND1 3.74Å; H87-H93 AromaticContact NE2-CE1 3.94Å; H87-H93 AromaticContact NE2-CG 3.87Å; H87-H93 AromaticContact NE2-ND1 2.97Å; H87-H93 PolarHBondContact NE2-ND1 2.89Å
88A94.8Very high92.9Very high3 Ų362.4 Ų62.43%0.02529%0.292CS..Hα-helixtrans-56.4-43.2178.900000111.8I84 H85 R92 H93 F107I84-A88 VanDerWaalsContact O-CB 3.32Å; I84-A88 WeakPolarHBondContact O-CB 3.31Å; I84-A88 PolarHBondContact O-N 2.98Å; H85-A88 PolarHBondContact O-N 3Å; A88-R92 CarbonylContact O-C 3.51Å; A88-R92 WeakPolarHBondContact O-CA 3.29Å; A88-R92 PolarHBondContact O-N 3.22Å; A88-H93 VanDerWaalsContact CA-O 3.27Å; A88-H93 WeakPolarHBondContact CA-O 3.44Å; A88-H93 WeakPolarHBondContact CB-O 3.45Å; A88-H93 PolarHBondContact O-N 3.2Å; A88-H93 VanDerWaalsContact O-N 3.1Å; A88-F107 HydrophobicContact CB-CB 4.05Å; A88-F107 HydrophobicContact CB-CD1 4.2Å; A88-F107 HydrophobicContact CB-CD2 3.38Å; A88-F107 HydrophobicContact CB-CE2 3.86Å; A88-F107 HydrophobicContact CB-CG 3.59Å; A88-F107 HydrophobicContact CB-CZ 4.47Å
89K93.8Very high92.7Very high184 Ų18462.9 Ų62.980%0.829%0.294SS*.Hα-helixtrans-68.4-45.3178.4-172.1178.5179.5-177.20112.9H85 E86 H87H85-K89 WeakPolarHBondContact O-CB 3.44Å; H85-K89 PolarHBondContact O-N 3.01Å; E86-K89 PolarHBondContact O-N 2.82Å; H87-K89 VanDerWaalsContact C-N 3.28Å; H87-K89 PolarHBondContact O-N 3.19Å
90S94.8Very high92.2Very high88 Ų8865.8 Ų65.862%0.61531%0.311SS*.Hα-helixtrans-73.7-39-175.757.60000113.4E86 H87E86-S90 VanDerWaalsContact O-CB 3.31Å; E86-S90 WeakPolarHBondContact O-CB 3.29Å; E86-S90 PolarHBondContact O-N 3.12Å; E86-S90 PolarHBondContact O-OG 3.16Å; H87-S90 PolarHBondContact O-N 3.29Å; H87-S90 PolarHBondContact O-OG 3.26Å; H87-S90 VanDerWaalsContact O-OG 3.12Å
91K94.1Very high91.9Very high135 Ų13569.1 Ų69.159%0.58731%0.314SS*.Hα-helixtrans-95.9-4.4-179.4-63.1-62.4-173.61780113.8H87 H93H87-K91 WeakPolarHBondContact O-CB 3.45Å; H87-K91 PolarHBondContact O-N 2.89Å; K91-H93 HydrophobicContact CB-CB 4.47Å; K91-H93 PolarHBondContact O-CD2 2.94Å; K91-H93 PolarHBondContact O-N 2.95Å
92R92.5Very high91.8Very high208 Ų20863.3 Ų63.379%0.78529%0.29SS*.THydrogen-bonded Turntrans5734.6-172.3-56.3-175176.3-167.8-0.4112.7A88 N94A88-R92 CarbonylContact O-C 3.51Å; A88-R92 WeakPolarHBondContact O-CA 3.29Å; A88-R92 PolarHBondContact O-N 3.22Å; R92-N94 PolarHBondContact O-N 3.29Å
93H94.3Very high91.7Very high41 Ų4158.1 Ų58.119%0.1927%0.274CS..  trans-9393.9176.6-69.2171.1000109.7C70 Y72 H87 A88 K91 L95C70-H93 PolarHBondContact SG-ND1 2.91Å; C70-H93 VanDerWaalsContact SG-ND1 3.42Å; Y72-H93 HydrophobicContact CD2-CB 3.69Å; Y72-H93 HydrophobicContact CE2-CB 4.38Å; Y72-H93 HydrophobicContact CG-CB 4.24Å; Y72-H93 AromaticContact CG-CD2 3.9Å; H87-H93 AromaticContact CD2-ND1 3.94Å; H87-H93 AromaticContact CE1-ND1 3.74Å; H87-H93 AromaticContact NE2-CE1 3.94Å; H87-H93 AromaticContact NE2-CG 3.87Å; H87-H93 AromaticContact NE2-ND1 2.97Å; H87-H93 PolarHBondContact NE2-ND1 2.89Å; A88-H93 VanDerWaalsContact CA-O 3.27Å; A88-H93 WeakPolarHBondContact CA-O 3.44Å; A88-H93 WeakPolarHBondContact CB-O 3.45Å; A88-H93 PolarHBondContact O-N 3.2Å; A88-H93 VanDerWaalsContact O-N 3.1Å; K91-H93 HydrophobicContact CB-CB 4.47Å; K91-H93 PolarHBondContact O-CD2 2.94Å; K91-H93 PolarHBondContact O-N 2.95Å; H93-L95 VanDerWaalsContact C-N 3.3Å; H93-L95 PolarHBondContact O-N 3.37Å
94N93.6Very high91.6Very high44 Ų4457 Ų5724%0.23527%0.269CS..  trans-81-5.3-163.8-64-34.8000115.3R92 C106 F107 V108R92-N94 PolarHBondContact O-N 3.29Å; N94-C106 WeakPolarHBondContact O-CA 3.3Å; N94-F107 PolarHBondContact O-N 3.3Å; N94-V108 HydrophobicContact CB-CG2 3.95Å; N94-V108 WeakPolarHBondContact OD1-CG2 3.37Å
95L94.1Very high91.5Very high0 Ų058.3 Ų58.30%027%0.274CS..EExtended strand (participates in β ladder)trans-131.8134.5-171-54.4176.5000110.4H8 Y12 L71 Y72 H93 Y105 C106 I113H8-L95 HydrophobicContact CB-CD2 4.34Å; Y12-L95 HydrophobicContact CD1-CD1 4.46Å; Y12-L95 HydrophobicContact CG-CD1 3.92Å; L71-L95 HydrophobicContact CB-CB 4.25Å; L71-L95 HydrophobicContact CD1-CB 3.82Å; L71-L95 HydrophobicContact CD1-CD1 4.34Å; L71-L95 HydrophobicContact CG-CB 4.23Å; L71-L95 PolarHBondContact N-O 3.32Å; L71-L95 VanDerWaalsContact N-O 3.12Å; Y72-L95 HydrophobicContact CE2-CB 3.72Å; Y72-L95 HydrophobicContact CE2-CD1 4.36Å; Y72-L95 HydrophobicContact CE2-CG 4.01Å; Y72-L95 WeakPolarHBondContact OH-CD1 3.44Å; Y72-L95 WeakPolarHBondContact OH-CG 3.16Å; H93-L95 VanDerWaalsContact C-N 3.3Å; H93-L95 PolarHBondContact O-N 3.37Å; L95-Y105 WeakPolarHBondContact CA-O 3.2Å; L95-C106 HydrophobicContact CD2-CB 3.86Å; L95-I113 HydrophobicContact CD2-CD1 3.36Å
96A94.5Very high91.5Very high0 Ų055.8 Ų55.80%026%0.263CS..EExtended strand (participates in β ladder)trans-141.4155.9170.500000110.2H68 S69 I84 Y105 F107H68-A96 HydrophobicContact CB-CB 4.11Å; S69-A96 CarbonylContact O-C 3.51Å; S69-A96 WeakPolarHBondContact O-CA 3.45Å; S69-A96 VanDerWaalsContact O-CB 3.29Å; S69-A96 WeakPolarHBondContact O-CB 3.49Å; I84-A96 HydrophobicContact CD1-CB 4.2Å; I84-A96 HydrophobicContact CG1-CB 4.01Å; A96-Y105 PolarHBondContact N-O 3.39Å; A96-Y105 VanDerWaalsContact N-O 3.13Å; A96-Y105 PolarHBondContact O-N 3.24Å; A96-F107 HydrophobicContact CB-CE2 3.61Å; A96-F107 HydrophobicContact CB-CZ 4.01Å
97I93.1Very high91.3Very high0 Ų052 Ų520%024%0.244CC..EExtended strand (participates in β ladder)trans-106.4132.4176.1-174.8169.2000110.4L21 I24 Y25 V29 H68 S69 L71 L99 I104L21-I97 HydrophobicContact CD1-CD1 4.4Å; I24-I97 HydrophobicContact CG2-CD1 4.42Å; I24-I97 HydrophobicContact CG2-CG2 3.55Å; Y25-I97 HydrophobicContact CD1-CD1 4.11Å; Y25-I97 HydrophobicContact CE1-CD1 3.52Å; Y25-I97 HydrophobicContact CE2-CD1 4.14Å; V29-I97 HydrophobicContact CG2-CD1 3.9Å; V29-I97 HydrophobicContact CG2-CG1 4.43Å; H68-I97 CarbonylContact C-O 3.56Å; H68-I97 VanDerWaalsContact CA-O 3.24Å; H68-I97 WeakPolarHBondContact CA-O 2.95Å; S69-I97 PolarHBondContact N-O 3.41Å; S69-I97 PolarHBondContact O-N 3.38Å; L71-I97 HydrophobicContact CD2-CB 4.04Å; L71-I97 HydrophobicContact CD2-CG2 3.83Å; I97-L99 HydrophobicContact CG2-CD2 4.37Å; I97-I104 HydrophobicContact CB-CG1 4.44Å; I97-I104 HydrophobicContact CD1-CG1 4.46Å; I97-I104 HydrophobicContact CG1-CG1 4.36Å
98D90.1Very high91.1Very high0 Ų055 Ų550%026%0.264CS..EExtended strand (participates in β ladder)trans-72.3120.6172-170.6-30.6000109.2R66 H68 L100 G102 G103 Y112R66-D98 IonicContact NE-OD2 3.71Å; R66-D98 PolarHBondContact NE-OD2 3.49Å; H68-D98 IonicContact CE1-OD2 3.68Å; H68-D98 IonicContact NE2-OD2 2.73Å; D98-L100 VanDerWaalsContact C-N 3.26Å; D98-L100 PolarHBondContact O-N 2.92Å; D98-L100 WeakPolarHBondContact OD1-CB 3.49Å; D98-L100 PolarHBondContact OD1-N 3.1Å; D98-G102 WeakPolarHBondContact O-CA 3.36Å; D98-G102 PolarHBondContact O-N 3.36Å; D98-G103 WeakPolarHBondContact CB-O 3.49Å; D98-G103 PolarHBondContact N-O 2.8Å; D98-Y112 HydrophobicContact CB-CE1 4.38Å; D98-Y112 PolarHBondContact OD2-OH 2.92Å; D98-Y112 VanDerWaalsContact OD2-OH 3.1Å
99L86.5Confident90.8Very high11 Ų1157.8 Ų57.86%0.05828%0.283CS..THydrogen-bonded Turntrans-78-10.7-175.3-61.3179.8000114.1I24 F28 V29 K40 L67 F76 I97I24-L99 HydrophobicContact CG2-CD2 4.48Å; F28-L99 HydrophobicContact CB-CD2 3.77Å; V29-L99 HydrophobicContact CG2-CD2 4.1Å; K40-L99 PolarHBondContact NZ-O 2.97Å; L67-L99 HydrophobicContact CB-CD1 4.27Å; L67-L99 HydrophobicContact CD2-CD1 3.93Å; L67-L99 HydrophobicContact CG-CD1 4.07Å; L67-L99 WeakPolarHBondContact O-CB 3.4Å; L67-L99 WeakPolarHBondContact O-CG 3Å; L67-L99 PolarHBondContact O-N 3.17Å; F76-L99 HydrophobicContact CD1-CD1 3.62Å; F76-L99 HydrophobicContact CE1-CD1 3.62Å; I97-L99 HydrophobicContact CG2-CD2 4.37Å
100L78.6Confident90.6Very high101 Ų10156.2 Ų56.253%0.52928%0.278SS..THydrogen-bonded Turntrans-85-43.6178.1-172.160.6000111.4D98D98-L100 VanDerWaalsContact C-N 3.26Å; D98-L100 PolarHBondContact O-N 2.92Å; D98-L100 WeakPolarHBondContact OD1-CB 3.49Å; D98-L100 PolarHBondContact OD1-N 3.1Å
101Y80.5Confident90.2Very high167 Ų16755.4 Ų55.466%0.65527%0.267SS*.THydrogen-bonded Turntrans-115.2-10.4-174.3-57.1-67000114.2G103Y101-G103 PolarHBondContact O-N 3.34Å
102G86.7Confident89.9Confident6 Ų651.3 Ų51.36%0.06225%0.248CC..  trans75.86.2-175.700000114.5Y25 D98Y25-G102 PolarHBondContact OH-O 3.37Å; D98-G102 WeakPolarHBondContact O-CA 3.36Å; D98-G102 PolarHBondContact O-N 3.36Å
103G89.8Confident89.7Confident24 Ų2442.2 Ų42.225%0.24722%0.215CC..  trans-71.2135.6179.200000112.2D98 Y101D98-G103 WeakPolarHBondContact CB-O 3.49Å; D98-G103 PolarHBondContact N-O 2.8Å; Y101-G103 PolarHBondContact O-N 3.34Å
104I92.4Very high89.2Confident6 Ų647.6 Ų47.63%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-90.7124.3176.7-60.4172.7000109.3L21 L71 I97 Y112 I113 M118L21-I104 HydrophobicContact CD1-CD1 4.21Å; L21-I104 HydrophobicContact CD2-CD1 4.46Å; L71-I104 HydrophobicContact CD1-CD1 4.42Å; L71-I104 HydrophobicContact CD1-CG2 3.95Å; I97-I104 HydrophobicContact CB-CG1 4.44Å; I97-I104 HydrophobicContact CD1-CG1 4.46Å; I97-I104 HydrophobicContact CG1-CG1 4.36Å; I104-Y112 CarbonylContact O-C 3.52Å; I104-Y112 WeakPolarHBondContact O-CA 3.33Å; I104-Y112 WeakPolarHBondContact O-CD1 3.13Å; I104-I113 HydrophobicContact CG2-CB 4.47Å; I104-I113 HydrophobicContact CG2-CD1 3.88Å; I104-I113 PolarHBondContact O-N 3.14Å; I104-M118 HydrophobicContact CD1-CB 3.89Å; I104-M118 HydrophobicContact CD1-CG 4.05Å; I104-M118 HydrophobicContact CD1-SD 3.45Å; I104-M118 WeakPolarHBondContact CD1-SD 3.46Å
105Y93.1Very high89Confident28 Ų2847 Ų4711%0.1123%0.231CC..EExtended strand (participates in β ladder)trans-106.8134.8179.8-170.6-99.5000110.9F79 L95 A96 F107 Q110 Y112F79-Y105 HydrophobicContact CE2-CD1 4.43Å; F79-Y105 HydrophobicContact CE2-CE1 4.33Å; L95-Y105 WeakPolarHBondContact CA-O 3.2Å; A96-Y105 PolarHBondContact N-O 3.39Å; A96-Y105 VanDerWaalsContact N-O 3.13Å; A96-Y105 PolarHBondContact O-N 3.24Å; Y105-F107 AromaticContact CD1-CD1 3.91Å; Y105-F107 HydrophobicContact CD1-CD1 3.91Å; Y105-F107 AromaticContact CD1-CE1 3.83Å; Y105-F107 HydrophobicContact CD1-CE1 3.83Å; Y105-F107 HydrophobicContact CD1-CE2 4.47Å; Y105-F107 HydrophobicContact CD1-CG 4.25Å; Y105-F107 HydrophobicContact CD1-CZ 4.11Å; Y105-F107 AromaticContact CE1-CD1 3.78Å; Y105-F107 HydrophobicContact CE1-CD1 3.78Å; Y105-F107 AromaticContact CE1-CE1 3.99Å; Y105-F107 HydrophobicContact CE1-CE1 3.99Å; Y105-F107 HydrophobicContact CE1-CG 4.33Å; Y105-Q110 VanDerWaalsContact OH-CA 3.24Å; Y105-Q110 WeakPolarHBondContact OH-CA 3.45Å; Y105-Q110 PolarHBondContact OH-O 2.77Å; Y105-Q110 VanDerWaalsContact OH-O 3.11Å; Y105-Y112 HydrophobicContact CD2-CD1 4.32Å; Y105-Y112 HydrophobicContact CD2-CD2 4.02Å; Y105-Y112 HydrophobicContact CD2-CE1 4.37Å; Y105-Y112 HydrophobicContact CD2-CE2 4.06Å; Y105-Y112 HydrophobicContact CD2-CG 4.16Å
106C93.6Very high88.5Confident0 Ų054.9 Ų54.90%027%0.266CS..EExtended strand (participates in β ladder)trans-102.6119.2171.2-176.10000110.9H8 N94 L95 V108 C109 Q110 D111 I113H8-C106 PolarHBondContact ND1-SG 3.48Å; N94-C106 WeakPolarHBondContact O-CA 3.3Å; L95-C106 HydrophobicContact CD2-CB 3.86Å; C106-V108 VanDerWaalsContact C-N 3.26Å; C106-V108 PolarHBondContact O-N 2.78Å; C106-C109 HydrophobicContact CB-CB 3.97Å; C106-C109 PolarHBondContact SG-N 2.94Å; C106-C109 VanDerWaalsContact SG-N 3.44Å; C106-Q110 WeakPolarHBondContact O-CA 3.44Å; C106-Q110 PolarHBondContact O-N 2.82Å; C106-D111 PolarHBondContact N-O 2.77Å; C106-D111 PolarHBondContact O-N 3.07Å; C106-I113 HydrophobicContact CB-CD1 3.58Å; C106-I113 HydrophobicContact CB-CG1 3.93Å
107F92Very high88.2Confident29 Ų2958 Ų5813%0.12728%0.282CS..THydrogen-bonded Turntrans-69.7-22.9179.7-66.4-77.5000113.7I84 H85 A88 N94 A96 Y105I84-F107 HydrophobicContact CB-CZ 4.2Å; I84-F107 HydrophobicContact CG1-CE1 4.47Å; I84-F107 HydrophobicContact CG1-CE2 4.06Å; I84-F107 HydrophobicContact CG1-CZ 3.53Å; I84-F107 HydrophobicContact CG2-CE1 4.02Å; I84-F107 HydrophobicContact CG2-CZ 3.81Å; H85-F107 HydrophobicContact CB-CD1 4.47Å; H85-F107 HydrophobicContact CB-CE1 4.41Å; H85-F107 AromaticContact CD2-CD1 3.65Å; H85-F107 AromaticContact CD2-CE1 3.7Å; H85-F107 AromaticContact CG-CD1 4Å; H85-F107 AromaticContact CG-CE1 3.76Å; H85-F107 AromaticContact ND1-CE1 3.95Å; H85-F107 AromaticContact NE2-CE1 3.88Å; A88-F107 HydrophobicContact CB-CB 4.05Å; A88-F107 HydrophobicContact CB-CD1 4.2Å; A88-F107 HydrophobicContact CB-CD2 3.38Å; A88-F107 HydrophobicContact CB-CE2 3.86Å; A88-F107 HydrophobicContact CB-CG 3.59Å; A88-F107 HydrophobicContact CB-CZ 4.47Å; N94-F107 PolarHBondContact O-N 3.3Å; A96-F107 HydrophobicContact CB-CE2 3.61Å; A96-F107 HydrophobicContact CB-CZ 4.01Å; Y105-F107 AromaticContact CD1-CD1 3.91Å; Y105-F107 HydrophobicContact CD1-CD1 3.91Å; Y105-F107 AromaticContact CD1-CE1 3.83Å; Y105-F107 HydrophobicContact CD1-CE1 3.83Å; Y105-F107 HydrophobicContact CD1-CE2 4.47Å; Y105-F107 HydrophobicContact CD1-CG 4.25Å; Y105-F107 HydrophobicContact CD1-CZ 4.11Å; Y105-F107 AromaticContact CE1-CD1 3.78Å; Y105-F107 HydrophobicContact CE1-CD1 3.78Å; Y105-F107 AromaticContact CE1-CE1 3.99Å; Y105-F107 HydrophobicContact CE1-CE1 3.99Å; Y105-F107 HydrophobicContact CE1-CG 4.33Å
108V91.1Very high88Confident79 Ų7958.2 Ų58.248%0.47928%0.283SS..THydrogen-bonded Turntrans-83.7-43.8177.9-175.90000111.1H8 N94 C106 Q110H8-V108 VanDerWaalsContact CE1-CB 3.49Å; H8-V108 WeakPolarHBondContact CE1-CB 3.41Å; H8-V108 WeakPolarHBondContact CE1-CG1 3.31Å; H8-V108 WeakPolarHBondContact NE2-CG1 3.32Å; N94-V108 HydrophobicContact CB-CG2 3.95Å; N94-V108 WeakPolarHBondContact OD1-CG2 3.37Å; C106-V108 VanDerWaalsContact C-N 3.26Å; C106-V108 PolarHBondContact O-N 2.78Å; V108-Q110 VanDerWaalsContact C-N 3.26Å; V108-Q110 PolarHBondContact O-N 3.34Å
109C87.8Confident87.8Confident63 Ų6361.3 Ų61.343%0.42630%0.298SS..THydrogen-bonded Turntrans-76.7-14.8175.7-60.80000113.1C106 D111C106-C109 HydrophobicContact CB-CB 3.97Å; C106-C109 PolarHBondContact SG-N 2.94Å; C106-C109 VanDerWaalsContact SG-N 3.44Å; C109-D111 PolarHBondContact O-N 2.8Å
110Q89.2Confident87.9Confident151 Ų15165.5 Ų65.571%0.70632%0.317SS*.THydrogen-bonded Turntrans56.229.2-175.3-59.3-174.3-16.900114Y105 C106 V108Y105-Q110 VanDerWaalsContact OH-CA 3.24Å; Y105-Q110 WeakPolarHBondContact OH-CA 3.45Å; Y105-Q110 PolarHBondContact OH-O 2.77Å; Y105-Q110 VanDerWaalsContact OH-O 3.11Å; C106-Q110 WeakPolarHBondContact O-CA 3.44Å; C106-Q110 PolarHBondContact O-N 2.82Å; V108-Q110 VanDerWaalsContact C-N 3.26Å; V108-Q110 PolarHBondContact O-N 3.34Å
111D87.1Confident88.4Confident70 Ų7061 Ų6137%0.37429%0.293SS..EExtended strand (participates in β ladder)trans-142.3159.9-174.1-158.43.1000111C106 C109C106-D111 PolarHBondContact N-O 2.77Å; C106-D111 PolarHBondContact O-N 3.07Å; C109-D111 PolarHBondContact O-N 2.8Å
112Y88.5Confident88.7Confident49 Ų4953.8 Ų53.819%0.19227%0.268CS..EExtended strand (participates in β ladder)trans-73.1146.5168.4-79.4-82000110.5M1 R66 D98 I104 Y105M1-Y112 WeakPolarHBondContact CE-O 3.32Å; R66-Y112 PolarHBondContact NH2-OH 3.19Å; D98-Y112 HydrophobicContact CB-CE1 4.38Å; D98-Y112 PolarHBondContact OD2-OH 2.92Å; D98-Y112 VanDerWaalsContact OD2-OH 3.1Å; I104-Y112 CarbonylContact O-C 3.52Å; I104-Y112 WeakPolarHBondContact O-CA 3.33Å; I104-Y112 WeakPolarHBondContact O-CD1 3.13Å; Y105-Y112 HydrophobicContact CD2-CD1 4.32Å; Y105-Y112 HydrophobicContact CD2-CD2 4.02Å; Y105-Y112 HydrophobicContact CD2-CE1 4.37Å; Y105-Y112 HydrophobicContact CD2-CE2 4.06Å; Y105-Y112 HydrophobicContact CD2-CG 4.16Å
113I87.9Confident88.6Confident17 Ų1756 Ų569%0.08728%0.276CS..EExtended strand (participates in β ladder)trans-104130-176-60.9165.9000109.2C6 V9 L95 I104 C106 D115C6-I113 HydrophobicContact CB-CD1 4.26Å; C6-I113 HydrophobicContact CB-CG1 4.05Å; C6-I113 HydrophobicContact CB-CG2 4.31Å; V9-I113 HydrophobicContact CG2-CB 4.46Å; V9-I113 HydrophobicContact CG2-CD1 3.59Å; V9-I113 HydrophobicContact CG2-CG1 4.3Å; V9-I113 HydrophobicContact CG2-CG2 3.49Å; V9-I113 VanDerWaalsContact CG2-CG2 3.49Å; L95-I113 HydrophobicContact CD2-CD1 3.36Å; I104-I113 HydrophobicContact CG2-CB 4.47Å; I104-I113 HydrophobicContact CG2-CD1 3.88Å; I104-I113 PolarHBondContact O-N 3.14Å; C106-I113 HydrophobicContact CB-CD1 3.58Å; C106-I113 HydrophobicContact CB-CG1 3.93Å; I113-D115 HydrophobicContact CG2-CB 3.97Å
114Y84Confident88.5Confident155 Ų15556.9 Ų56.961%0.60827%0.274SS*.  trans-112.364.4176-58.5-75.3000110M1 E119M1-Y114 HydrophobicContact CE-CD2 3.46Å; M1-Y114 VanDerWaalsContact CE-CD2 3.46Å; M1-Y114 HydrophobicContact CE-CE2 4.01Å; M1-Y114 HydrophobicContact SD-CD2 4.02Å; Y114-E119 VanDerWaalsContact CA-OE1 3.26Å; Y114-E119 WeakPolarHBondContact CA-OE1 3.46Å; Y114-E119 WeakPolarHBondContact CB-OE1 3Å; Y114-E119 VanDerWaalsContact CD1-OE1 3.3Å; Y114-E119 WeakPolarHBondContact CD1-OE1 3.15Å
115D88.1Confident88.2Confident32 Ų3256.8 Ų56.817%0.17127%0.273CS..  trans-86128.2178176-88.4000110.6V9 K13 I113 D117 M118 E119V9-D115 HydrophobicContact CG1-CB 4.21Å; K13-D115 WeakPolarHBondContact CE-OD1 3.14Å; K13-D115 IonicContact NZ-OD1 3.67Å; K13-D115 PolarHBondContact NZ-OD1 2.8Å; K13-D115 IonicContact NZ-OD2 3.84Å; K13-D115 PolarHBondContact NZ-OD2 3.41Å; I113-D115 HydrophobicContact CG2-CB 3.97Å; D115-D117 VanDerWaalsContact C-N 3.34Å; D115-D117 PolarHBondContact O-N 2.8Å; D115-D117 PolarHBondContact OD1-N 2.8Å; D115-M118 HydrophobicContact CB-CB 4.2Å; D115-M118 HydrophobicContact CB-CG 4.19Å; D115-M118 HydrophobicContact CB-SD 4.08Å; D115-M118 PolarHBondContact O-N 3.49Å; D115-M118 PolarHBondContact OD1-N 3.13Å; D115-E119 WeakPolarHBondContact O-CB 3.27Å; D115-E119 WeakPolarHBondContact O-CG 3.47Å; D115-E119 PolarHBondContact O-N 3.1Å
116K84.9Confident87.8Confident165 Ų16557.7 Ų57.772%0.71728%0.278SS*.Hα-helixtrans-55.9-42.5-172.5-172-178.6178.3-175.20113.7Q120K116-Q120 WeakPolarHBondContact O-CB 3.49Å; K116-Q120 PolarHBondContact O-N 3.19Å
117D87.4Confident87.1Confident65 Ų6562.4 Ų62.435%0.34830%0.296SS..Hα-helixtrans-72.3-39.6-177.4-61-42.1000111K13 W17 D115 Q120 I121K13-D117 IonicContact NZ-OD2 3.34Å; K13-D117 PolarHBondContact NZ-OD2 3.25Å; W17-D117 HydrophobicContact CH2-CB 3.63Å; W17-D117 HydrophobicContact CZ2-CB 4.12Å; D115-D117 VanDerWaalsContact C-N 3.34Å; D115-D117 PolarHBondContact O-N 2.8Å; D115-D117 PolarHBondContact OD1-N 2.8Å; D117-Q120 PolarHBondContact O-N 3.29Å; D117-I121 WeakPolarHBondContact O-CG1 3.26Å; D117-I121 PolarHBondContact O-N 3.46Å; D117-I121 VanDerWaalsContact O-N 3.12Å
118M88.8Confident86.7Confident4 Ų465.7 Ų65.72%0.0231%0.311CS..Hα-helixtrans-66.9-41.6177.5-67.9179.7164.800111.8V9 Y12 K13 W17 L21 I104 D115 I121 A122V9-M118 HydrophobicContact CG1-CE 3.62Å; V9-M118 HydrophobicContact CG1-SD 3.91Å; Y12-M118 HydrophobicContact CD1-CE 3.55Å; Y12-M118 HydrophobicContact CE1-CE 4.06Å; K13-M118 HydrophobicContact CG-CE 4.49Å; W17-M118 HydrophobicContact CE3-CE 4.31Å; W17-M118 HydrophobicContact CH2-CG 4.2Å; W17-M118 HydrophobicContact CZ3-CE 4.15Å; W17-M118 HydrophobicContact CZ3-CG 3.73Å; L21-M118 HydrophobicContact CD2-CB 4.08Å; L21-M118 HydrophobicContact CD2-CG 3.89Å; I104-M118 HydrophobicContact CD1-CB 3.89Å; I104-M118 HydrophobicContact CD1-CG 4.05Å; I104-M118 HydrophobicContact CD1-SD 3.45Å; I104-M118 WeakPolarHBondContact CD1-SD 3.46Å; D115-M118 HydrophobicContact CB-CB 4.2Å; D115-M118 HydrophobicContact CB-CG 4.19Å; D115-M118 HydrophobicContact CB-SD 4.08Å; D115-M118 PolarHBondContact O-N 3.49Å; D115-M118 PolarHBondContact OD1-N 3.13Å; M118-I121 PolarHBondContact O-N 3.41Å; M118-A122 PolarHBondContact O-N 3.14Å
119E86.9Confident86Confident66 Ų6662.3 Ų62.331%0.30829%0.291SS..Hα-helixtrans-64.3-40.7175.3-73.8-177.9165.900112.1Y114 D115 I121 A122 K123Y114-E119 VanDerWaalsContact CA-OE1 3.26Å; Y114-E119 WeakPolarHBondContact CA-OE1 3.46Å; Y114-E119 WeakPolarHBondContact CB-OE1 3Å; Y114-E119 VanDerWaalsContact CD1-OE1 3.3Å; Y114-E119 WeakPolarHBondContact CD1-OE1 3.15Å; D115-E119 WeakPolarHBondContact O-CB 3.27Å; D115-E119 WeakPolarHBondContact O-CG 3.47Å; D115-E119 PolarHBondContact O-N 3.1Å; E119-I121 VanDerWaalsContact C-N 3.34Å; E119-I121 PolarHBondContact O-N 3.24Å; E119-A122 WeakPolarHBondContact O-CB 3.43Å; E119-A122 PolarHBondContact O-N 3.38Å; E119-K123 WeakPolarHBondContact O-CG 3.31Å; E119-K123 PolarHBondContact O-N 3.03Å
120Q86.8Confident85.3Confident99 Ų9961.6 Ų61.646%0.46328%0.279SS..Hα-helixtrans-60.8-44.9175.7-178.7174-11.900111.1K116 D117 A122 K123 E124K116-Q120 WeakPolarHBondContact O-CB 3.49Å; K116-Q120 PolarHBondContact O-N 3.19Å; D117-Q120 PolarHBondContact O-N 3.29Å; Q120-A122 PolarHBondContact O-N 3.5Å; Q120-K123 PolarHBondContact O-N 3.14Å; Q120-E124 HydrophobicContact CG-CG 4.48Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.36Å; Q120-E124 PolarHBondContact NE2-OE1 2.92Å; Q120-E124 WeakPolarHBondContact O-CB 3.44Å; Q120-E124 WeakPolarHBondContact O-CG 3.33Å; Q120-E124 PolarHBondContact O-N 2.95Å
121I89.2Confident84.7Confident6 Ų660.7 Ų60.73%0.03127%0.273CS..Hα-helixtrans-60.7-45.7175.3-70.7167.5000110.8W17 K18 L21 R22 Y25 D117 M118 E119 K123 E124 E125W17-I121 HydrophobicContact CH2-CD1 3.97Å; W17-I121 HydrophobicContact CZ3-CD1 3.81Å; K18-I121 HydrophobicContact CB-CD1 3.98Å; K18-I121 HydrophobicContact CD-CD1 4.45Å; K18-I121 HydrophobicContact CG-CD1 3.92Å; L21-I121 HydrophobicContact CD2-CB 4.44Å; L21-I121 HydrophobicContact CD2-CD1 4.23Å; L21-I121 HydrophobicContact CD2-CG2 4.24Å; L21-I121 HydrophobicContact CG-CG2 4.27Å; R22-I121 HydrophobicContact CG-CG2 3.54Å; Y25-I121 HydrophobicContact CD2-CG2 4.02Å; Y25-I121 HydrophobicContact CE2-CG2 4.24Å; D117-I121 WeakPolarHBondContact O-CG1 3.26Å; D117-I121 PolarHBondContact O-N 3.46Å; D117-I121 VanDerWaalsContact O-N 3.12Å; M118-I121 PolarHBondContact O-N 3.41Å; E119-I121 VanDerWaalsContact C-N 3.34Å; E119-I121 PolarHBondContact O-N 3.24Å; I121-K123 VanDerWaalsContact C-N 3.34Å; I121-K123 PolarHBondContact O-N 3.27Å; I121-E124 PolarHBondContact O-N 3.35Å; I121-E125 HydrophobicContact CG2-CG 4.43Å; I121-E125 WeakPolarHBondContact O-CG 3.16Å; I121-E125 PolarHBondContact O-N 2.82Å
122A87.3Confident84Confident15 Ų1563.1 Ų63.112%0.12429%0.285CS..Hα-helixtrans-56-48.2178.600000111.8Y25 W30 M118 E119 Q120 Q126Y25-A122 HydrophobicContact CD1-CB 4.47Å; Y25-A122 HydrophobicContact CE1-CB 3.72Å; Y25-A122 HydrophobicContact CE2-CB 3.79Å; Y25-A122 WeakPolarHBondContact OH-CB 3.13Å; W30-A122 PolarHBondContact NE1-O 3.23Å; M118-A122 PolarHBondContact O-N 3.14Å; E119-A122 WeakPolarHBondContact O-CB 3.43Å; E119-A122 PolarHBondContact O-N 3.38Å; Q120-A122 PolarHBondContact O-N 3.5Å; A122-Q126 VanDerWaalsContact O-CB 3.31Å; A122-Q126 WeakPolarHBondContact O-CB 3.21Å; A122-Q126 PolarHBondContact O-N 3.08Å
123K84.3Confident83Confident53 Ų5364.1 Ų64.123%0.2329%0.292CS..Hα-helixtrans-66.2-40.6178.9-71.9172.9-179.8172.10112.8E119 Q120 I121 R127 T141 E143E119-K123 WeakPolarHBondContact O-CG 3.31Å; E119-K123 PolarHBondContact O-N 3.03Å; Q120-K123 PolarHBondContact O-N 3.14Å; I121-K123 VanDerWaalsContact C-N 3.34Å; I121-K123 PolarHBondContact O-N 3.27Å; K123-R127 WeakPolarHBondContact O-CG 3.46Å; K123-R127 PolarHBondContact O-N 2.98Å; K123-R127 PolarHBondContact O-NE 3.14Å; K123-T141 VanDerWaalsContact CE-OG1 3.26Å; K123-T141 WeakPolarHBondContact CE-OG1 3.45Å; K123-E143 IonicContact NZ-OE1 3.87Å; K123-E143 PolarHBondContact NZ-OE1 2.83Å
124E87.3Confident81.8Confident42 Ų4266.7 Ų66.720%0.19632%0.322CS..Hα-helixtrans-61.4-48.1176-77.8172.1-170.400111.5R22 Q120 I121 R127 K128R22-E124 IonicContact NH2-OE2 3.97Å; R22-E124 PolarHBondContact NH2-OE2 3.3Å; R22-E124 VanDerWaalsContact NH2-OE2 3.13Å; Q120-E124 HydrophobicContact CG-CG 4.48Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.36Å; Q120-E124 PolarHBondContact NE2-OE1 2.92Å; Q120-E124 WeakPolarHBondContact O-CB 3.44Å; Q120-E124 WeakPolarHBondContact O-CG 3.33Å; Q120-E124 PolarHBondContact O-N 2.95Å; I121-E124 PolarHBondContact O-N 3.35Å; E124-R127 PolarHBondContact O-N 3.35Å; E124-K128 WeakPolarHBondContact O-CG 3.37Å; E124-K128 PolarHBondContact O-N 3.36Å; E124-K128 VanDerWaalsContact O-N 3.07Å
125E87.1Confident80.6Confident4 Ų461.9 Ų61.92%0.01931%0.306CS..Hα-helixtrans-71.4-33.6-179.1-63.2-50133.800112.4R22 Q26 I121 K128 A129R22-E125 HydrophobicContact CB-CG 4.37Å; R22-E125 HydrophobicContact CG-CG 3.99Å; R22-E125 IonicContact NE-OE1 3.92Å; Q26-E125 HydrophobicContact CG-CG 4.4Å; Q26-E125 WeakPolarHBondContact CG-OE2 3.32Å; Q26-E125 PolarHBondContact NE2-OE2 3.39Å; I121-E125 HydrophobicContact CG2-CG 4.43Å; I121-E125 WeakPolarHBondContact O-CG 3.16Å; I121-E125 PolarHBondContact O-N 2.82Å; E125-K128 PolarHBondContact O-N 3.31Å; E125-K128 IonicContact OE1-NZ 3.43Å; E125-K128 PolarHBondContact OE1-NZ 3.41Å; E125-K128 IonicContact OE2-NZ 3.44Å; E125-A129 WeakPolarHBondContact O-CB 3.44Å; E125-A129 PolarHBondContact O-N 3.39Å
126Q83.9Confident79.1Confident47 Ų4761.8 Ų61.822%0.2231%0.313CS..Hα-helixtrans-61.2-48.1172.3-171.8177.241.100111.2W30 A122 K128 A129 W130W30-Q126 HydrophobicContact CD2-CB 4.23Å; W30-Q126 HydrophobicContact CD2-CG 4.25Å; W30-Q126 HydrophobicContact CG-CB 4.41Å; W30-Q126 HydrophobicContact CZ2-CB 4.21Å; W30-Q126 HydrophobicContact CZ2-CG 4.34Å; A122-Q126 VanDerWaalsContact O-CB 3.31Å; A122-Q126 WeakPolarHBondContact O-CB 3.21Å; A122-Q126 PolarHBondContact O-N 3.08Å; Q126-K128 VanDerWaalsContact C-N 3.35Å; Q126-K128 PolarHBondContact O-N 2.91Å; Q126-A129 PolarHBondContact O-N 3.09Å; Q126-W130 HydrophobicContact CG-CD2 4.12Å; Q126-W130 HydrophobicContact CG-CE3 4.43Å; Q126-W130 HydrophobicContact CG-CH2 3.95Å; Q126-W130 HydrophobicContact CG-CZ2 3.61Å; Q126-W130 HydrophobicContact CG-CZ3 4.34Å; Q126-W130 PolarHBondContact O-N 3.33Å
127R79.9Confident77.5Confident99 Ų9958.6 Ų58.637%0.37430%0.301SS..Hα-helixtrans-60.7-41.1177-77.6-174.6-69.3167.9-3.1112.7K123 E124 W130 K131 E137K123-R127 WeakPolarHBondContact O-CG 3.46Å; K123-R127 PolarHBondContact O-N 2.98Å; K123-R127 PolarHBondContact O-NE 3.14Å; E124-R127 PolarHBondContact O-N 3.35Å; R127-W130 PolarHBondContact O-N 2.92Å; R127-K131 WeakPolarHBondContact O-CG 3.46Å; R127-K131 PolarHBondContact O-N 2.8Å; R127-E137 WeakPolarHBondContact CD-OE1 3.42Å; R127-E137 HydrophobicContact CG-CG 4.34Å
128K82.8Confident75.8Confident99 Ų9961.3 Ų61.343%0.4331%0.309SS..Hα-helixtrans-63.2-43.7175.6-71.7173.3-171.11690111.6E124 E125 Q126 K131 L132E124-K128 WeakPolarHBondContact O-CG 3.37Å; E124-K128 PolarHBondContact O-N 3.36Å; E124-K128 VanDerWaalsContact O-N 3.07Å; E125-K128 PolarHBondContact O-N 3.31Å; E125-K128 IonicContact OE1-NZ 3.43Å; E125-K128 PolarHBondContact OE1-NZ 3.41Å; E125-K128 IonicContact OE2-NZ 3.44Å; Q126-K128 VanDerWaalsContact C-N 3.35Å; Q126-K128 PolarHBondContact O-N 2.91Å; K128-K131 PolarHBondContact O-N 2.87Å; K128-L132 WeakPolarHBondContact O-CG 3.49Å; K128-L132 PolarHBondContact O-N 3.4Å
129A77.6Confident73.8Confident7 Ų767.8 Ų67.86%0.05833%0.334CS..Hα-helixtrans-61.6-43.7178.200000111.8W30 E125 Q126 L132 Q133W30-A129 HydrophobicContact CB-CB 3.67Å; E125-A129 WeakPolarHBondContact O-CB 3.44Å; E125-A129 PolarHBondContact O-N 3.39Å; Q126-A129 PolarHBondContact O-N 3.09Å; A129-L132 PolarHBondContact O-N 3.14Å; A129-Q133 VanDerWaalsContact O-CG 3.29Å; A129-Q133 WeakPolarHBondContact O-CG 3.46Å; A129-Q133 PolarHBondContact O-N 2.72Å; A129-Q133 VanDerWaalsContact O-N 3.11Å
130W73.3Confident72.2Confident48 Ų4869.7 Ų69.718%0.18235%0.351CS..Hα-helixtrans-62.8-45.5175.9-68.2-21.1000112.9Q126 R127 L132 Q133 G134 I135 Y139Q126-W130 HydrophobicContact CG-CD2 4.12Å; Q126-W130 HydrophobicContact CG-CE3 4.43Å; Q126-W130 HydrophobicContact CG-CH2 3.95Å; Q126-W130 HydrophobicContact CG-CZ2 3.61Å; Q126-W130 HydrophobicContact CG-CZ3 4.34Å; Q126-W130 PolarHBondContact O-N 3.33Å; R127-W130 PolarHBondContact O-N 2.92Å; W130-L132 VanDerWaalsContact C-N 3.27Å; W130-L132 PolarHBondContact O-N 3.42Å; W130-Q133 CarbonylContact O-C 3.51Å; W130-Q133 WeakPolarHBondContact O-CA 3.49Å; W130-Q133 PolarHBondContact O-N 2.99Å; W130-G134 PolarHBondContact O-N 3.22Å; W130-I135 CarbonylContact C-O 3.53Å; W130-I135 HydrophobicContact CB-CB 4.21Å; W130-I135 PolarHBondContact O-N 2.75Å; W130-Y139 WeakPolarHBondContact CH2-O 3.26Å; W130-Y139 VanDerWaalsContact CZ3-O 3.27Å; W130-Y139 WeakPolarHBondContact CZ3-O 3.43Å
131K75.6Confident70.6Confident133 Ų13368.3 Ų68.358%0.57835%0.349SS*.Hα-helixtrans-56.7-41.9175.2-74.5178.2-173.7176.90112.2R127 K128 Q133 G134 E137R127-K131 WeakPolarHBondContact O-CG 3.46Å; R127-K131 PolarHBondContact O-N 2.8Å; K128-K131 PolarHBondContact O-N 2.87Å; K131-Q133 PolarHBondContact O-N 3.17Å; K131-G134 PolarHBondContact O-N 3.07Å; K131-E137 WeakPolarHBondContact CE-OE1 3.47Å; K131-E137 IonicContact NZ-OE1 2.78Å; K131-E137 PolarHBondContact NZ-OE1 3.25Å
132L73Confident69.3Low120 Ų12075.7 Ų75.763%0.62838%0.377SS*.Hα-helixtrans-68.5-23176.7-71.7170.3000113.4T33 K128 A129 W130 G134T33-L132 HydrophobicContact CG2-CD1 4.3Å; K128-L132 WeakPolarHBondContact O-CG 3.49Å; K128-L132 PolarHBondContact O-N 3.4Å; A129-L132 PolarHBondContact O-N 3.14Å; W130-L132 VanDerWaalsContact C-N 3.27Å; W130-L132 PolarHBondContact O-N 3.42Å; L132-G134 VanDerWaalsContact C-N 3.35Å
133Q67.2Low68.2Low71 Ų7181.3 Ų81.333%0.33240%0.401SS..THydrogen-bonded Turntrans-90.40.8176.7-70.2170.8-9.100112.7A129 W130 K131 I135A129-Q133 VanDerWaalsContact O-CG 3.29Å; A129-Q133 WeakPolarHBondContact O-CG 3.46Å; A129-Q133 PolarHBondContact O-N 2.72Å; A129-Q133 VanDerWaalsContact O-N 3.11Å; W130-Q133 CarbonylContact O-C 3.51Å; W130-Q133 WeakPolarHBondContact O-CA 3.49Å; W130-Q133 PolarHBondContact O-N 2.99Å; K131-Q133 PolarHBondContact O-N 3.17Å; Q133-I135 HydrophobicContact CB-CD1 3.95Å; Q133-I135 HydrophobicContact CB-CG1 4.02Å; Q133-I135 PolarHBondContact O-N 3.18Å
134G62.1Low67.6Low70 Ų7080.9 Ų80.972%0.72240%0.403SS*.THydrogen-bonded Turntrans71.86.5-174.800000113.8W130 K131 L132W130-G134 PolarHBondContact O-N 3.22Å; K131-G134 PolarHBondContact O-N 3.07Å; L132-G134 VanDerWaalsContact C-N 3.35Å
135I59.3Low67.2Low54 Ų5482.5 Ų82.528%0.27742%0.416SS..  trans-82.6120.3176.4-56.9171.1000107.1W130 Q133W130-I135 CarbonylContact C-O 3.53Å; W130-I135 HydrophobicContact CB-CB 4.21Å; W130-I135 PolarHBondContact O-N 2.75Å; Q133-I135 HydrophobicContact CB-CD1 3.95Å; Q133-I135 HydrophobicContact CB-CG1 4.02Å; Q133-I135 PolarHBondContact O-N 3.18Å
136G55.6Low66.9Low31 Ų3190.8 Ų90.832%0.3245%0.452SS..  trans-59162.9176.400000112.6K138G136-K138 PolarHBondContact O-N 2.89Å
137E51.5Low66.7Low98 Ų9897.7 Ų97.746%0.45848%0.476SS..SBendtrans-6781.3169.7-79.1-176.5-169.600109.4R127 K131R127-E137 WeakPolarHBondContact CD-OE1 3.42Å; R127-E137 HydrophobicContact CG-CG 4.34Å; K131-E137 WeakPolarHBondContact CE-OE1 3.47Å; K131-E137 IonicContact NZ-OE1 2.78Å; K131-E137 PolarHBondContact NZ-OE1 3.25Å
138K52Low66.7Low122 Ų12295.9 Ų95.953%0.5347%0.472SS..  trans-97.5-22.2-170.8-72.4-178.4176.1-178.90113.9G136 E522G136-K138 PolarHBondContact O-N 2.89Å; K138-E522 WeakPolarHBondContact CD-O 3.46Å; K138-E522 VanDerWaalsContact CE-O 3.24Å; K138-E522 WeakPolarHBondContact CE-O 3.34Å; K138-E522 PolarHBondContact NZ-O 3.44Å; K138-E522 PolarHBondContact NZ-OXT 3.09Å
139Y48.3Very low66.6Low139 Ų13994.4 Ų94.455%0.54547%0.469SS..  trans-132.8116.1179.1-174.8-97.9000111.9W130 T141W130-Y139 WeakPolarHBondContact CH2-O 3.26Å; W130-Y139 VanDerWaalsContact CZ3-O 3.27Å; W130-Y139 WeakPolarHBondContact CZ3-O 3.43Å; Y139-T141 HydrophobicContact CE1-CG2 4.42Å
140T51.9Low66.9Low107 Ų10799 Ų9966%0.65649%0.489SS*.  trans-110131.8163.949.70000108.1W142T140-W142 PolarHBondContact O-N 3.47Å
141T53.9Low67.2Low70 Ų70100.9 Ų100.943%0.42950%0.502SS..  trans-52.312716618.50000108.5K123 Y139 E143K123-T141 VanDerWaalsContact CE-OG1 3.26Å; K123-T141 WeakPolarHBondContact CE-OG1 3.45Å; Y139-T141 HydrophobicContact CE1-CG2 4.42Å; T141-E143 PolarHBondContact O-N 2.76Å
142W61.7Low67.3Low160 Ų16097.5 Ų97.561%0.60649%0.49SS*.  trans-59.2121.4178172.377.5000109.9T140 P144 E148 L152T140-W142 PolarHBondContact O-N 3.47Å; W142-P144 HydrophobicContact CH2-CB 3.7Å; W142-P144 HydrophobicContact CH2-CG 4.15Å; W142-P144 HydrophobicContact CZ2-CB 3.58Å; W142-P144 HydrophobicContact CZ2-CG 4.44Å; W142-P144 HydrophobicContact CZ3-CB 4.2Å; W142-P144 HydrophobicContact CZ3-CG 4.19Å; W142-E148 HydrophobicContact CZ2-CB 4.37Å; W142-E148 PolarHBondContact NE1-OE1 2.97Å; W142-L152 HydrophobicContact CH2-CD1 3.76Å; W142-L152 HydrophobicContact CZ2-CD1 4.43Å
143E64.9Low67.6Low133 Ų133100.8 Ų100.862%0.62149%0.494SS*.  trans-110.4113170.8-71.4-174.1-174.300107.4K123 T141 T145K123-E143 IonicContact NZ-OE1 3.87Å; K123-E143 PolarHBondContact NZ-OE1 2.83Å; T141-E143 PolarHBondContact O-N 2.76Å; E143-T145 PolarHBondContact O-N 3.43Å
144P70.8Confident68.3Low44 Ų44104.6 Ų104.629%0.28651%0.511SS..  trans-63.9128.9-17623.8-32.6000110.5W142 E148 L149 L152W142-P144 HydrophobicContact CH2-CB 3.7Å; W142-P144 HydrophobicContact CH2-CG 4.15Å; W142-P144 HydrophobicContact CZ2-CB 3.58Å; W142-P144 HydrophobicContact CZ2-CG 4.44Å; W142-P144 HydrophobicContact CZ3-CB 4.2Å; W142-P144 HydrophobicContact CZ3-CG 4.19Å; P144-E148 HydrophobicContact CB-CB 4.01Å; P144-L149 HydrophobicContact CB-CD2 3.99Å; P144-L149 HydrophobicContact CB-CG 3.95Å; P144-L149 HydrophobicContact CG-CD2 3.65Å; P144-L149 HydrophobicContact CG-CG 4.02Å; P144-L152 HydrophobicContact CB-CD1 4.42Å
145T79.4Confident68.7Low77 Ų77106.4 Ų106.447%0.47251%0.505SS..  trans-60.2162.5168.561.50000110.9E143 R147 E148 L149E143-T145 PolarHBondContact O-N 3.43Å; T145-R147 PolarHBondContact O-N 3.48Å; T145-E148 VanDerWaalsContact CB-OE2 3.32Å; T145-E148 WeakPolarHBondContact CB-OE2 3.49Å; T145-E148 WeakPolarHBondContact CG2-OE2 3.36Å; T145-E148 PolarHBondContact N-OE2 3.46Å; T145-E148 PolarHBondContact O-N 2.93Å; T145-E148 VanDerWaalsContact O-N 3.09Å; T145-E148 WeakPolarHBondContact OG1-CG 3.07Å; T145-E148 PolarHBondContact OG1-N 3.44Å; T145-E148 PolarHBondContact OG1-OE2 3.47Å; T145-L149 WeakPolarHBondContact O-CG 3.36Å; T145-L149 PolarHBondContact O-N 3.4Å
146K80.1Confident69Low177 Ų177108.3 Ų108.377%0.7752%0.52SS*.Hα-helixtrans-53.3-41.1175.1-69.3-176.3-180178.60112L149 E150K146-L149 WeakPolarHBondContact O-CB 3.28Å; K146-L149 PolarHBondContact O-N 3.29Å; K146-E150 WeakPolarHBondContact O-CG 3.06Å; K146-E150 PolarHBondContact O-N 2.92Å
147R81Confident69.5Low192 Ų192116 Ų11673%0.72555%0.545SS*.Hα-helixtrans-63.7-44.9176.6-175.7-179.7177.5-172.3-1.4112.2T145 E150 L151T145-R147 PolarHBondContact O-N 3.48Å; R147-E150 PolarHBondContact O-N 3.46Å; R147-L151 HydrophobicContact CG-CD1 4.42Å; R147-L151 WeakPolarHBondContact O-CG 3.38Å; R147-L151 PolarHBondContact O-N 3.35Å
148E78.1Confident70.1Confident61 Ų61120.9 Ų120.929%0.28556%0.559SS.*Hα-helixtrans-65.5-39.3176-72.6163.1123.300111.6W142 P144 T145 E150 L151 L152W142-E148 HydrophobicContact CZ2-CB 4.37Å; W142-E148 PolarHBondContact NE1-OE1 2.97Å; P144-E148 HydrophobicContact CB-CB 4.01Å; T145-E148 VanDerWaalsContact CB-OE2 3.32Å; T145-E148 WeakPolarHBondContact CB-OE2 3.49Å; T145-E148 WeakPolarHBondContact CG2-OE2 3.36Å; T145-E148 PolarHBondContact N-OE2 3.46Å; T145-E148 PolarHBondContact O-N 2.93Å; T145-E148 VanDerWaalsContact O-N 3.09Å; T145-E148 WeakPolarHBondContact OG1-CG 3.07Å; T145-E148 PolarHBondContact OG1-N 3.44Å; T145-E148 PolarHBondContact OG1-OE2 3.47Å; E148-E150 VanDerWaalsContact C-N 3.32Å; E148-E150 PolarHBondContact O-N 3.28Å; E148-L151 PolarHBondContact O-N 3.47Å; E148-L152 WeakPolarHBondContact O-CB 3.33Å; E148-L152 WeakPolarHBondContact O-CD1 3.3Å; E148-L152 WeakPolarHBondContact O-CG 3.4Å; E148-L152 PolarHBondContact O-N 2.99Å
149L81.3Confident70.8Confident69 Ų69121.4 Ų121.436%0.36156%0.558SS.*Hα-helixtrans-60-41.9173.7-73.9172.7000112P144 T145 K146 L152 R153P144-L149 HydrophobicContact CB-CD2 3.99Å; P144-L149 HydrophobicContact CB-CG 3.95Å; P144-L149 HydrophobicContact CG-CD2 3.65Å; P144-L149 HydrophobicContact CG-CG 4.02Å; T145-L149 WeakPolarHBondContact O-CG 3.36Å; T145-L149 PolarHBondContact O-N 3.4Å; K146-L149 WeakPolarHBondContact O-CB 3.28Å; K146-L149 PolarHBondContact O-N 3.29Å; L149-L152 PolarHBondContact O-N 2.85Å; L149-R153 VanDerWaalsContact O-CG 3.28Å; L149-R153 WeakPolarHBondContact O-CG 3.26Å; L149-R153 PolarHBondContact O-N 3.23Å
150E84.3Confident71.6Confident104 Ų104123.3 Ų123.349%0.48657%0.569SS.*Hα-helixtrans-62.5-47.3173.1-74.4164.2-165.800111.3K146 R147 E148 L152 R153 H154K146-E150 WeakPolarHBondContact O-CG 3.06Å; K146-E150 PolarHBondContact O-N 2.92Å; R147-E150 PolarHBondContact O-N 3.46Å; E148-E150 VanDerWaalsContact C-N 3.32Å; E148-E150 PolarHBondContact O-N 3.28Å; E150-L152 VanDerWaalsContact C-N 3.32Å; E150-L152 PolarHBondContact O-N 3.35Å; E150-R153 WeakPolarHBondContact O-CB 3.22Å; E150-R153 PolarHBondContact O-N 3.46Å; E150-H154 PolarHBondContact O-CD2 2.97Å; E150-H154 PolarHBondContact O-N 3.39Å
151L79.9Confident72.4Confident87 Ų87124 Ų12446%0.45557%0.567SS.*Hα-helixtrans-59.5-40.3176.6-73.2170.2000112.6R147 E148 R153 H154 N155R147-L151 HydrophobicContact CG-CD1 4.42Å; R147-L151 WeakPolarHBondContact O-CG 3.38Å; R147-L151 PolarHBondContact O-N 3.35Å; E148-L151 PolarHBondContact O-N 3.47Å; L151-R153 VanDerWaalsContact C-N 3.31Å; L151-H154 PolarHBondContact O-N 3.02Å; L151-N155 WeakPolarHBondContact O-CB 3.21Å; L151-N155 PolarHBondContact O-N 3.22Å; L151-N155 PolarHBondContact O-ND2 2.89Å; L151-N155 VanDerWaalsContact O-ND2 3.13Å
152L77.8Confident73Confident61 Ų61124.1 Ų124.132%0.31957%0.568SS.*Hα-helixtrans-69.3-28.6176.2-69.1163.9000112.6W142 P144 E148 L149 E150 N155W142-L152 HydrophobicContact CH2-CD1 3.76Å; W142-L152 HydrophobicContact CZ2-CD1 4.43Å; P144-L152 HydrophobicContact CB-CD1 4.42Å; E148-L152 WeakPolarHBondContact O-CB 3.33Å; E148-L152 WeakPolarHBondContact O-CD1 3.3Å; E148-L152 WeakPolarHBondContact O-CG 3.4Å; E148-L152 PolarHBondContact O-N 2.99Å; L149-L152 PolarHBondContact O-N 2.85Å; E150-L152 VanDerWaalsContact C-N 3.32Å; E150-L152 PolarHBondContact O-N 3.35Å; L152-N155 CarbonylContact O-C 3.47Å
153R79.6Confident72.9Confident190 Ų190121 Ų12172%0.71757%0.567SS**Hα-helixtrans-73.2-41.4171.9-74.2172.9-172.9174.22.6111L149 E150 L151L149-R153 VanDerWaalsContact O-CG 3.28Å; L149-R153 WeakPolarHBondContact O-CG 3.26Å; L149-R153 PolarHBondContact O-N 3.23Å; E150-R153 WeakPolarHBondContact O-CB 3.22Å; E150-R153 PolarHBondContact O-N 3.46Å; L151-R153 VanDerWaalsContact C-N 3.31Å
154H80.5Confident73Confident150 Ų150120.7 Ų120.769%0.69457%0.57SS**Hα-helixtrans-71.2-28.9176.8-73.9-63.8000113.2E150 L151 P156E150-H154 PolarHBondContact O-CD2 2.97Å; E150-H154 PolarHBondContact O-N 3.39Å; L151-H154 PolarHBondContact O-N 3.02Å; H154-P156 WeakPolarHBondContact O-CD 3.35Å
155N71.8Confident73Confident109 Ų109119.4 Ų119.458%0.58356%0.561SS**  trans-115.170.6177.3-64.3-75.3000111.1L151 L152 K157L151-N155 WeakPolarHBondContact O-CB 3.21Å; L151-N155 PolarHBondContact O-N 3.22Å; L151-N155 PolarHBondContact O-ND2 2.89Å; L151-N155 VanDerWaalsContact O-ND2 3.13Å; L152-N155 CarbonylContact O-C 3.47Å; N155-K157 PolarHBondContact O-N 3.33Å
156P64.7Low72.9Confident93 Ų93118.1 Ų118.160%0.60455%0.554SS**  trans-74.15.9-17433.2-38.4000113.7H154 R158H154-P156 WeakPolarHBondContact O-CD 3.35Å; P156-R158 PolarHBondContact O-N 3.19Å
157K65.1Low73.1Confident194 Ų194111.2 Ų111.284%0.84352%0.524SS*.  trans-67.666176.2-70.7-174.2-179.9176.50110.6N155N155-K157 PolarHBondContact O-N 3.33Å
158R66Low73.3Confident199 Ų199102.1 Ų102.175%0.75149%0.49SS*.  trans-76.4125.6171.9-63.5-176.1-175.8-155.6-0.1107.8P156P156-R158 PolarHBondContact O-N 3.19Å
159R66.3Low73.9Confident134 Ų13499.9 Ų99.951%0.50648%0.48SS..  trans-98.1115.1179.6-65.1172175.2-131.4-1.4108.3I161 S226R159-I161 PolarHBondContact O-N 3.3Å; R159-S226 PolarHBondContact NH1-O 3.12Å; R159-S226 PolarHBondContact NH2-O 2.97Å
160K64.8Low74.4Confident179 Ų17997.2 Ų97.278%0.77847%0.466SS*.  trans-72.4113.1173.4-169.4176.2-177.4179.20108T162K160-T162 HydrophobicContact CB-CG2 4.49Å; K160-T162 HydrophobicContact CD-CG2 4.29Å; K160-T162 HydrophobicContact CG-CG2 4.15Å; K160-T162 PolarHBondContact O-N 2.75Å
161I67.6Low74.9Confident121 Ų12192.5 Ų92.562%0.62144%0.444SS*.  trans-69.7100.1166.8-58.5178.1000106.1R159 C165R159-I161 PolarHBondContact O-N 3.3Å; I161-C165 HydrophobicContact CG2-CB 4.01Å
162T67.9Low75.8Confident73 Ų7388.3 Ų88.345%0.44842%0.423SS..  trans-84.6168.1174.661.70000110K160 N164 C165K160-T162 HydrophobicContact CB-CG2 4.49Å; K160-T162 HydrophobicContact CD-CG2 4.29Å; K160-T162 HydrophobicContact CG-CG2 4.15Å; K160-T162 PolarHBondContact O-N 2.75Å; T162-N164 PolarHBondContact O-N 2.99Å; T162-N164 VanDerWaalsContact O-N 3.13Å; T162-C165 WeakPolarHBondContact O-CB 3.48Å; T162-C165 PolarHBondContact O-N 2.71Å; T162-C165 VanDerWaalsContact O-N 3.13Å
163T59.6Low76.7Confident94 Ų9488 Ų8858%0.57742%0.421SS*.THydrogen-bonded Turntrans-63.4-17.7-179.3480000114.7
164N66.1Low77.4Confident127 Ų12781.6 Ų81.668%0.67940%0.401SS*.THydrogen-bonded Turntrans-112.323.8179.5-60.7-6.6000111.3T162 T166T162-N164 PolarHBondContact O-N 2.99Å; T162-N164 VanDerWaalsContact O-N 3.13Å; N164-T166 PolarHBondContact O-N 3.17Å
165C71.7Confident77.9Confident17 Ų1777.4 Ų77.412%0.11538%0.383CS..  trans-72.4119.7-175.6-173.40000110.9I161 T162 I167I161-C165 HydrophobicContact CG2-CB 4.01Å; T162-C165 WeakPolarHBondContact O-CB 3.48Å; T162-C165 PolarHBondContact O-N 2.71Å; T162-C165 VanDerWaalsContact O-N 3.13Å; C165-I167 VanDerWaalsContact C-N 3.31Å; C165-I167 WeakPolarHBondContact SG-CB 3.38Å; C165-I167 WeakPolarHBondContact SG-CD1 3.35Å; C165-I167 WeakPolarHBondContact SG-CG1 2.9Å
166T77.4Confident78.7Confident50 Ų5074.6 Ų74.631%0.30738%0.38SS..  trans-95.121.7174.463.40000112N164 G168 L169N164-T166 PolarHBondContact O-N 3.17Å; T166-G168 PolarHBondContact O-N 2.72Å; T166-L169 WeakPolarHBondContact O-CB 3.45Å; T166-L169 PolarHBondContact O-N 2.88Å
167I84.4Confident79.9Confident31 Ų3173 Ų7316%0.15937%0.366CS..THydrogen-bonded Turntrans-60.3133.6176.8-73.7173.5000109C165 L169 Y225 Q483C165-I167 VanDerWaalsContact C-N 3.31Å; C165-I167 WeakPolarHBondContact SG-CB 3.38Å; C165-I167 WeakPolarHBondContact SG-CD1 3.35Å; C165-I167 WeakPolarHBondContact SG-CG1 2.9Å; I167-L169 VanDerWaalsContact C-N 3.3Å; I167-Y225 HydrophobicContact CG2-CD1 3.61Å; I167-Y225 HydrophobicContact CG2-CE1 4.41Å; I167-Y225 HydrophobicContact CG2-CG 4.21Å; I167-Q483 PolarHBondContact O-NE2 3.35Å
168G85.1Confident81.3Confident1 Ų164.1 Ų64.11%0.0133%0.328CS..THydrogen-bonded Turntrans91.2-26.2-172.500000113.5T166 R170 H190 F224T166-G168 PolarHBondContact O-N 2.72Å; G168-R170 PolarHBondContact O-N 2.94Å; G168-H190 PolarHBondContact O-CE1 3.39Å; G168-H190 PolarHBondContact O-NE2 3.03Å; G168-H190 VanDerWaalsContact O-NE2 3.14Å; G168-F224 WeakPolarHBondContact CA-O 3.41Å; G168-F224 PolarHBondContact N-O 3Å; G168-F224 WeakPolarHBondContact O-CD1 3.42Å
169L88.9Confident82.7Confident14 Ų1455 Ų557%0.07330%0.295CS..  trans-85.7106.2173.3-71.8173.2000110.5T166 I167 Q483 F489 I496T166-L169 WeakPolarHBondContact O-CB 3.45Å; T166-L169 PolarHBondContact O-N 2.88Å; I167-L169 VanDerWaalsContact C-N 3.3Å; L169-Q483 HydrophobicContact CD1-CB 4.42Å; L169-Q483 HydrophobicContact CD1-CG 4.2Å; L169-Q483 HydrophobicContact CD2-CG 4.48Å; L169-Q483 VanDerWaalsContact CG-CD 3.45Å; L169-Q483 HydrophobicContact CG-CG 4.1Å; L169-F489 HydrophobicContact CD1-CB 4.47Å; L169-F489 HydrophobicContact CD1-CD1 3.84Å; L169-F489 HydrophobicContact CD1-CD2 3.52Å; L169-F489 HydrophobicContact CD1-CE1 3.85Å; L169-F489 HydrophobicContact CD1-CE2 3.54Å; L169-F489 HydrophobicContact CD1-CG 3.67Å; L169-F489 HydrophobicContact CD1-CZ 3.7Å; L169-F489 HydrophobicContact CD2-CB 4.21Å; L169-F489 HydrophobicContact CD2-CD2 4.25Å; L169-F489 HydrophobicContact CD2-CG 4.24Å; L169-I496 HydrophobicContact CB-CD1 4.21Å
170R92.9Very high84.1Confident14 Ų1448.9 Ų48.95%0.05327%0.272CS..  trans-141.7129.3179-168.4171.5-177.1-170.7-5.9110.1G168 Q186 E223 F224 S230 H232G168-R170 PolarHBondContact O-N 2.94Å; R170-Q186 PolarHBondContact O-NE2 3.41Å; R170-E223 IonicContact CZ-OE2 3.28Å; R170-E223 PolarHBondContact NH1-O 3.28Å; R170-E223 IonicContact NH1-OE2 3.89Å; R170-E223 PolarHBondContact NH1-OE2 3.36Å; R170-E223 IonicContact NH2-OE2 2.72Å; R170-F224 HydrophobicContact CB-CD1 4.25Å; R170-F224 HydrophobicContact CB-CD2 4.46Å; R170-F224 HydrophobicContact CB-CE1 4.27Å; R170-F224 HydrophobicContact CB-CE2 4.47Å; R170-F224 HydrophobicContact CB-CG 4.33Å; R170-F224 HydrophobicContact CB-CZ 4.37Å; R170-S230 WeakPolarHBondContact CG-O 3.26Å; R170-S230 PolarHBondContact NE-O 2.88Å; R170-S230 PolarHBondContact NH2-O 2.84Å; R170-H232 HydrophobicContact CG-CB 4.42Å
171G95.7Very high85.5Confident4 Ų440.4 Ų40.44%0.04124%0.235CC..  trans-65.8158.4177.200000111.5P231 H232 D493G171-P231 CarbonylContact O-C 3.58Å; G171-P231 WeakPolarHBondContact O-CA 3.38Å; G171-H232 PolarHBondContact O-N 2.86Å; G171-D493 CarbonylContact C-O 3.47Å; G171-D493 WeakPolarHBondContact CA-O 3.23Å
172L97Very high86.9Confident0 Ų034.8 Ų34.80%021%0.206CC..BIsolated β-bridgetrans-118.7126176.5-69.2169.9000109.7N174 N182 V185 Q186 F224 H232 P234 D493 A494L172-N174 PolarHBondContact O-N 3.17Å; L172-N182 HydrophobicContact CB-CB 4.03Å; L172-N182 WeakPolarHBondContact CB-OD1 3.44Å; L172-N182 HydrophobicContact CD1-CB 3.96Å; L172-N182 WeakPolarHBondContact CD1-O 3.27Å; L172-N182 PolarHBondContact O-ND2 2.74Å; L172-V185 HydrophobicContact CD1-CB 3.75Å; L172-V185 HydrophobicContact CD1-CG1 3.62Å; L172-Q186 HydrophobicContact CD1-CG 4.23Å; L172-F224 HydrophobicContact CD1-CZ 4.24Å; L172-F224 HydrophobicContact CD2-CE2 3.8Å; L172-F224 HydrophobicContact CD2-CZ 3.67Å; L172-F224 HydrophobicContact CG-CZ 3.96Å; L172-H232 WeakPolarHBondContact CA-O 3.5Å; L172-H232 HydrophobicContact CD2-CB 4.13Å; L172-P234 HydrophobicContact CD2-CB 4.31Å; L172-P234 HydrophobicContact CD2-CG 4.02Å; L172-D493 PolarHBondContact N-O 3.31Å; L172-D493 CarbonylContact O-C 3.58Å; L172-D493 VanDerWaalsContact O-CA 3.25Å; L172-D493 WeakPolarHBondContact O-CA 3.16Å; L172-D493 WeakPolarHBondContact O-CB 3.49Å; L172-A494 PolarHBondContact O-N 2.86Å
173I96.7Very high88.3Confident55 Ų5531.4 Ų31.428%0.28219%0.186SC..  trans-65.1131.2176.8-62.8-62.2000109.3L175 N182 P231 H232 I233 A494I173-L175 HydrophobicContact CG2-CD2 4.06Å; I173-N182 PolarHBondContact O-ND2 3.41Å; I173-P231 HydrophobicContact CD1-CB 3.47Å; I173-P231 VanDerWaalsContact CD1-CB 3.47Å; I173-P231 HydrophobicContact CD1-CG 4.1Å; I173-P231 HydrophobicContact CG1-CB 3.81Å; I173-H232 PolarHBondContact N-O 3.43Å; I173-I233 HydrophobicContact CB-CG1 3.94Å; I173-I233 HydrophobicContact CG1-CG1 3.71Å; I173-I233 HydrophobicContact CG2-CG1 4.49Å; I173-A494 HydrophobicContact CD1-CB 3.93Å
174N94.1Very high90.2Very high54 Ų5427 Ų2729%0.28916%0.158SC..  trans-75124.5169.4-166.3-26.6000109.7L172 G176 N177 T178 D493L172-N174 PolarHBondContact O-N 3.17Å; N174-G176 VanDerWaalsContact C-N 3.29Å; N174-G176 PolarHBondContact OD1-N 2.93Å; N174-G176 PolarHBondContact OD1-O 3.46Å; N174-G176 VanDerWaalsContact OD1-O 3.04Å; N174-N177 PolarHBondContact OD1-N 3.24Å; N174-T178 WeakPolarHBondContact CA-OG1 3.26Å; N174-T178 PolarHBondContact OD1-N 2.65Å; N174-T178 PolarHBondContact OD1-OG1 3.34Å; N174-D493 HydrophobicContact CB-CB 4.14Å; N174-D493 WeakPolarHBondContact CB-OD2 3.34Å; N174-D493 PolarHBondContact ND2-OD2 3.32Å
175L91.7Very high91.7Very high63 Ų6321 Ų2133%0.3313%0.127SC..  trans-9725.9-178.5-56.6173.2000112.5I173 T178 I233 F235 L238I173-L175 HydrophobicContact CG2-CD2 4.06Å; L175-T178 HydrophobicContact CB-CG2 3.86Å; L175-T178 PolarHBondContact N-OG1 3.01Å; L175-I233 HydrophobicContact CD1-CG2 4.24Å; L175-I233 HydrophobicContact CD2-CG2 3.87Å; L175-F235 HydrophobicContact CD1-CB 4.05Å; L175-L238 HydrophobicContact CD1-CD2 4.39Å
176G88.3Confident92.8Very high50 Ų5020.3 Ų20.352%0.51512%0.122SC..SBendtrans125.9-79.6-179.100000110.1N174N174-G176 VanDerWaalsContact C-N 3.29Å; N174-G176 PolarHBondContact OD1-N 2.93Å; N174-G176 PolarHBondContact OD1-O 3.46Å; N174-G176 VanDerWaalsContact OD1-O 3.04Å
177N90.1Very high93.8Very high59 Ų5918 Ų1832%0.31611%0.107SC..SBendtrans-121.733.4-178.6-75.8-42.6000112.2N174 F180 Y251 Q253N174-N177 PolarHBondContact OD1-N 3.24Å; N177-F180 WeakPolarHBondContact O-CD1 3.44Å; N177-F180 WeakPolarHBondContact O-CE1 3.35Å; N177-Y251 PolarHBondContact ND2-O 2.69Å; N177-Q253 HydrophobicContact CB-CG 3.92Å; N177-Q253 PolarHBondContact OD1-NE2 3.39Å
178T94.4Very high94.3Very high7 Ų716.7 Ų16.74%0.04310%0.101CC..  trans-96.713.6-170.365.70000114.6N174 L175 F180 M181 N182 L238N174-T178 WeakPolarHBondContact CA-OG1 3.26Å; N174-T178 PolarHBondContact OD1-N 2.65Å; N174-T178 PolarHBondContact OD1-OG1 3.34Å; L175-T178 HydrophobicContact CB-CG2 3.86Å; L175-T178 PolarHBondContact N-OG1 3.01Å; T178-F180 VanDerWaalsContact C-N 3.26Å; T178-F180 PolarHBondContact O-N 2.92Å; T178-M181 HydrophobicContact CG2-CE 4.42Å; T178-M181 WeakPolarHBondContact O-CB 3.48Å; T178-M181 PolarHBondContact O-N 3.44Å; T178-M181 VanDerWaalsContact O-N 3.09Å; T178-N182 VanDerWaalsContact O-CG 3.3Å; T178-N182 PolarHBondContact O-N 2.86Å; T178-L238 HydrophobicContact CG2-CD1 4.45Å; T178-L238 HydrophobicContact CG2-CD2 3.86Å
179C95.6Very high94.8Very high7 Ų716.6 Ų16.65%0.04710%0.1CC..Hα-helixtrans-61.6-34.5179.959.90000112.4M181 N182 C183 H476 Y477C179-M181 VanDerWaalsContact C-N 3.29Å; C179-M181 PolarHBondContact O-N 2.97Å; C179-N182 PolarHBondContact O-N 3.11Å; C179-C183 PolarHBondContact O-N 3.26Å; C179-C183 PolarHBondContact O-SG 3.35Å; C179-C183 VanDerWaalsContact O-SG 3.41Å; C179-H476 VanDerWaalsContact CB-CE1 3.5Å; C179-H476 WeakPolarHBondContact CB-CE1 3.48Å; C179-H476 WeakPolarHBondContact CB-ND1 3.49Å; C179-H476 PolarHBondContact SG-ND1 2.78Å; C179-H476 VanDerWaalsContact SG-ND1 3.44Å; C179-Y477 PolarHBondContact SG-N 2.86Å
180F95.1Very high95Very high7 Ų716.7 Ų16.73%0.03110%0.1CC..Hα-helixtrans-60.1-37173.974.4-92.5000112.3N177 T178 C183 I184 Q254 A256 F259 Y477N177-F180 WeakPolarHBondContact O-CD1 3.44Å; N177-F180 WeakPolarHBondContact O-CE1 3.35Å; T178-F180 VanDerWaalsContact C-N 3.26Å; T178-F180 PolarHBondContact O-N 2.92Å; F180-C183 PolarHBondContact O-SG 3.06Å; F180-I184 VanDerWaalsContact O-CG1 3.3Å; F180-I184 WeakPolarHBondContact O-CG1 3.48Å; F180-Q254 VanDerWaalsContact CB-O 3.28Å; F180-Q254 WeakPolarHBondContact CB-O 3.2Å; F180-Q254 HydrophobicContact CD1-CB 4.04Å; F180-Q254 HydrophobicContact CD2-CB 3.95Å; F180-Q254 HydrophobicContact CE1-CB 3.87Å; F180-Q254 HydrophobicContact CE1-CG 4.08Å; F180-Q254 HydrophobicContact CE2-CB 3.79Å; F180-Q254 HydrophobicContact CE2-CG 4.32Å; F180-Q254 HydrophobicContact CG-CB 4.09Å; F180-Q254 HydrophobicContact CZ-CB 3.76Å; F180-Q254 HydrophobicContact CZ-CG 3.89Å; F180-A256 HydrophobicContact CB-CB 4.17Å; F180-F259 HydrophobicContact CD2-CB 3.62Å; F180-F259 HydrophobicContact CD2-CD2 4.09Å; F180-F259 AromaticContact CD2-CG 3.81Å; F180-F259 HydrophobicContact CD2-CG 3.81Å; F180-F259 HydrophobicContact CE2-CB 3.78Å; F180-F259 AromaticContact CE2-CD2 3.47Å; F180-F259 HydrophobicContact CE2-CD2 3.47Å; F180-F259 VanDerWaalsContact CE2-CD2 3.47Å; F180-F259 HydrophobicContact CE2-CE2 4.19Å; F180-F259 AromaticContact CE2-CG 3.69Å; F180-F259 HydrophobicContact CE2-CG 3.69Å; F180-Y477 HydrophobicContact CB-CD2 3.58Å; F180-Y477 HydrophobicContact CB-CE2 3.79Å; F180-Y477 HydrophobicContact CB-CG 4.38Å
181M96.1Very high95Very high0 Ų016 Ų160%010%0.098CC..Hα-helixtrans-74.9-46.7174.9169.2-179.881.300110.2T178 C179 C183 I184 V185 P234 L237 L238 F259T178-M181 HydrophobicContact CG2-CE 4.42Å; T178-M181 WeakPolarHBondContact O-CB 3.48Å; T178-M181 PolarHBondContact O-N 3.44Å; T178-M181 VanDerWaalsContact O-N 3.09Å; C179-M181 VanDerWaalsContact C-N 3.29Å; C179-M181 PolarHBondContact O-N 2.97Å; M181-C183 VanDerWaalsContact C-N 3.33Å; M181-C183 PolarHBondContact O-N 3.35Å; M181-I184 PolarHBondContact O-N 2.97Å; M181-I184 VanDerWaalsContact O-N 3.14Å; M181-V185 HydrophobicContact CG-CG2 3.91Å; M181-V185 WeakPolarHBondContact O-CG2 3.34Å; M181-V185 PolarHBondContact O-N 2.81Å; M181-P234 HydrophobicContact CE-CB 4.06Å; M181-P234 HydrophobicContact CE-CG 3.44Å; M181-P234 VanDerWaalsContact CE-CG 3.44Å; M181-L237 HydrophobicContact CG-CD2 4.11Å; M181-L237 HydrophobicContact SD-CD2 3.56Å; M181-L237 VanDerWaalsContact SD-CD2 3.56Å; M181-L238 HydrophobicContact CE-CB 4.13Å; M181-L238 HydrophobicContact CE-CD1 4.35Å; M181-L238 HydrophobicContact SD-CB 3.81Å; M181-L238 HydrophobicContact SD-CD1 3.74Å; M181-L238 HydrophobicContact SD-CG 4.36Å; M181-F259 HydrophobicContact CB-CD1 4.34Å; M181-F259 HydrophobicContact CB-CE1 3.94Å; M181-F259 HydrophobicContact CB-CE2 4.13Å; M181-F259 HydrophobicContact CB-CZ 3.82Å; M181-F259 HydrophobicContact CG-CE1 3.67Å; M181-F259 HydrophobicContact CG-CE2 4.05Å; M181-F259 HydrophobicContact CG-CZ 3.37Å; M181-F259 HydrophobicContact SD-CE2 4.33Å; M181-F259 HydrophobicContact SD-CZ 3.94Å
182N97.1Very high94.6Very high3 Ų318.2 Ų18.22%0.01611%0.111CC..Hα-helixtrans-58.1-44.9-174.6-72.8-12.3000111.5L172 I173 T178 C179 I184 V185 Q186 D493L172-N182 HydrophobicContact CB-CB 4.03Å; L172-N182 WeakPolarHBondContact CB-OD1 3.44Å; L172-N182 HydrophobicContact CD1-CB 3.96Å; L172-N182 WeakPolarHBondContact CD1-O 3.27Å; L172-N182 PolarHBondContact O-ND2 2.74Å; I173-N182 PolarHBondContact O-ND2 3.41Å; T178-N182 VanDerWaalsContact O-CG 3.3Å; T178-N182 PolarHBondContact O-N 2.86Å; C179-N182 PolarHBondContact O-N 3.11Å; N182-I184 VanDerWaalsContact C-N 3.33Å; N182-I184 PolarHBondContact O-N 2.81Å; N182-V185 PolarHBondContact O-N 2.93Å; N182-Q186 VanDerWaalsContact O-CG 3.26Å; N182-Q186 WeakPolarHBondContact O-CG 3.32Å; N182-Q186 PolarHBondContact O-N 3.12Å; N182-D493 PolarHBondContact ND2-OD1 2.82Å
183C97.3Very high94.2Very high3 Ų320.3 Ų20.32%0.0212%0.122CC..Hα-helixtrans-63.9-36.6179670000112.8C179 F180 M181 A187 V466C179-C183 PolarHBondContact O-N 3.26Å; C179-C183 PolarHBondContact O-SG 3.35Å; C179-C183 VanDerWaalsContact O-SG 3.41Å; F180-C183 PolarHBondContact O-SG 3.06Å; M181-C183 VanDerWaalsContact C-N 3.33Å; M181-C183 PolarHBondContact O-N 3.35Å; C183-A187 PolarHBondContact O-N 3.31Å; C183-V466 HydrophobicContact CB-CG1 4Å; C183-V466 HydrophobicContact CB-CG2 4.24Å; C183-V466 WeakPolarHBondContact SG-CG1 3.45Å
184I97.9Very high93.9Very high0 Ų017.7 Ų17.70%011%0.109CC..Hα-helixtrans-70.8-44.1176.8-64.3-56.1000111.1F180 M181 N182 Q186 A187 L188 A256 F259 L260 V466 L511 F513F180-I184 VanDerWaalsContact O-CG1 3.3Å; F180-I184 WeakPolarHBondContact O-CG1 3.48Å; M181-I184 PolarHBondContact O-N 2.97Å; M181-I184 VanDerWaalsContact O-N 3.14Å; N182-I184 VanDerWaalsContact C-N 3.33Å; N182-I184 PolarHBondContact O-N 2.81Å; I184-Q186 VanDerWaalsContact C-N 3.26Å; I184-Q186 PolarHBondContact O-N 2.86Å; I184-A187 PolarHBondContact O-N 3.23Å; I184-A187 VanDerWaalsContact O-N 3.08Å; I184-L188 HydrophobicContact CG2-CD1 3.96Å; I184-L188 HydrophobicContact CG2-CG 4.23Å; I184-L188 WeakPolarHBondContact O-CG 3.42Å; I184-L188 PolarHBondContact O-N 2.65Å; I184-A256 HydrophobicContact CD1-CB 4.2Å; I184-A256 WeakPolarHBondContact CD1-O 3.45Å; I184-A256 HydrophobicContact CG1-CB 4.13Å; I184-A256 WeakPolarHBondContact CG1-O 3.47Å; I184-F259 HydrophobicContact CB-CD1 3.95Å; I184-F259 HydrophobicContact CB-CE1 4.22Å; I184-F259 HydrophobicContact CG1-CD1 4.12Å; I184-F259 HydrophobicContact CG2-CD1 3.96Å; I184-F259 HydrophobicContact CG2-CE1 4.12Å; I184-L260 HydrophobicContact CD1-CB 3.98Å; I184-L260 HydrophobicContact CG1-CB 4.34Å; I184-L260 HydrophobicContact CG2-CB 4.15Å; I184-L260 HydrophobicContact CG2-CD1 3.8Å; I184-V466 HydrophobicContact CD1-CG2 4.3Å; I184-L511 HydrophobicContact CD1-CD1 3.51Å; I184-F513 HydrophobicContact CD1-CZ 4.34Å
185V97.2Very high93.7Very high2 Ų218.1 Ų18.11%0.01211%0.106CC..Hα-helixtrans-59.1-40.3175.5171.30000110.7L172 M181 N182 A187 L188 T189 L220 F224 L237L172-V185 HydrophobicContact CD1-CB 3.75Å; L172-V185 HydrophobicContact CD1-CG1 3.62Å; M181-V185 HydrophobicContact CG-CG2 3.91Å; M181-V185 WeakPolarHBondContact O-CG2 3.34Å; M181-V185 PolarHBondContact O-N 2.81Å; N182-V185 PolarHBondContact O-N 2.93Å; V185-A187 PolarHBondContact O-N 3.17Å; V185-L188 PolarHBondContact O-N 3.47Å; V185-T189 HydrophobicContact CG1-CG2 4.06Å; V185-T189 WeakPolarHBondContact O-CB 3.39Å; V185-T189 VanDerWaalsContact O-CG2 3.28Å; V185-T189 WeakPolarHBondContact O-CG2 3.28Å; V185-T189 PolarHBondContact O-N 3.33Å; V185-T189 PolarHBondContact O-OG1 3.5Å; V185-L220 HydrophobicContact CG1-CD2 3.65Å; V185-F224 HydrophobicContact CG1-CZ 4.45Å; V185-L237 HydrophobicContact CG2-CD1 4.06Å; V185-L237 HydrophobicContact CG2-CD2 4.13Å
186Q96.6Very high93.5Very high3 Ų318.9 Ų18.91%0.01411%0.111CC..Hα-helixtrans-59.9-45.3173.6-68.3-68.1-600111.9R170 L172 N182 I184 T189 H190 I481 C491R170-Q186 PolarHBondContact O-NE2 3.41Å; L172-Q186 HydrophobicContact CD1-CG 4.23Å; N182-Q186 VanDerWaalsContact O-CG 3.26Å; N182-Q186 WeakPolarHBondContact O-CG 3.32Å; N182-Q186 PolarHBondContact O-N 3.12Å; I184-Q186 VanDerWaalsContact C-N 3.26Å; I184-Q186 PolarHBondContact O-N 2.86Å; Q186-T189 PolarHBondContact O-OG1 3.42Å; Q186-H190 WeakPolarHBondContact O-CB 3.34Å; Q186-H190 PolarHBondContact O-N 3.45Å; Q186-H190 PolarHBondContact O-ND1 2.85Å; Q186-H190 PolarHBondContact OE1-CE1 3.29Å; Q186-I481 HydrophobicContact CB-CD1 4.01Å; Q186-I481 HydrophobicContact CB-CG1 4.13Å; Q186-C491 HydrophobicContact CG-CB 3.9Å
187A96.9Very high93.4Very high0 Ų018.2 Ų18.20%09%0.094CC..Hα-helixtrans-63.8-43.817800000112.5C183 I184 V185 H190 T191 A464 F513C183-A187 PolarHBondContact O-N 3.31Å; I184-A187 PolarHBondContact O-N 3.23Å; I184-A187 VanDerWaalsContact O-N 3.08Å; V185-A187 PolarHBondContact O-N 3.17Å; A187-H190 PolarHBondContact O-N 2.73Å; A187-T191 PolarHBondContact O-N 2.85Å; A187-T191 PolarHBondContact O-OG1 2.86Å; A187-A464 HydrophobicContact CB-CB 4.01Å; A187-F513 HydrophobicContact CB-CD2 3.99Å; A187-F513 HydrophobicContact CB-CE1 4.31Å; A187-F513 HydrophobicContact CB-CE2 3.78Å; A187-F513 HydrophobicContact CB-CG 4.35Å; A187-F513 HydrophobicContact CB-CZ 3.94Å
188L96.5Very high93.3Very high4 Ų415.6 Ų15.62%0.0218%0.079CC..Hα-helixtrans-67.2-45179.5-66177.9000112.2I184 V185 H190 T191 L194 M217 L260 L264 F298I184-L188 HydrophobicContact CG2-CD1 3.96Å; I184-L188 HydrophobicContact CG2-CG 4.23Å; I184-L188 WeakPolarHBondContact O-CG 3.42Å; I184-L188 PolarHBondContact O-N 2.65Å; V185-L188 PolarHBondContact O-N 3.47Å; L188-H190 PolarHBondContact O-N 3Å; L188-T191 WeakPolarHBondContact O-CB 3.3Å; L188-T191 PolarHBondContact O-N 3.29Å; L188-T191 VanDerWaalsContact O-N 3.08Å; L188-L194 HydrophobicContact CB-CD1 4.28Å; L188-L194 HydrophobicContact CD2-CD1 4.01Å; L188-M217 HydrophobicContact CB-CE 4.37Å; L188-L260 HydrophobicContact CD2-CD1 4.2Å; L188-L264 HydrophobicContact CD2-CD2 4.29Å; L188-F298 HydrophobicContact CD2-CZ 3.97Å
189T94.9Very high92.9Very high0 Ų019 Ų190%010%0.097CC..Hα-helixtrans-67-18-18052.70000114.1V185 Q186 L220 F221 F224 Y225V185-T189 HydrophobicContact CG1-CG2 4.06Å; V185-T189 WeakPolarHBondContact O-CB 3.39Å; V185-T189 VanDerWaalsContact O-CG2 3.28Å; V185-T189 WeakPolarHBondContact O-CG2 3.28Å; V185-T189 PolarHBondContact O-N 3.33Å; V185-T189 PolarHBondContact O-OG1 3.5Å; Q186-T189 PolarHBondContact O-OG1 3.42Å; T189-L220 HydrophobicContact CG2-CD2 4.09Å; T189-L220 HydrophobicContact CG2-CG 4.29Å; T189-F221 HydrophobicContact CG2-CZ 4.44Å; T189-F221 WeakPolarHBondContact O-CE1 3.4Å; T189-F224 HydrophobicContact CG2-CD1 4.03Å; T189-F224 HydrophobicContact CG2-CE1 4.12Å; T189-F224 HydrophobicContact CG2-CG 4.31Å; T189-F224 HydrophobicContact CG2-CZ 4.46Å; T189-F224 WeakPolarHBondContact OG1-CE1 3.45Å; T189-Y225 PolarHBondContact O-OH 3.38Å
190H93.6Very high92.2Very high15 Ų1521.3 Ų21.37%0.06911%0.113CC..THydrogen-bonded Turntrans-103.27.7175.6-6883.5000113.6G168 Q186 A187 L188 P192 I481G168-H190 PolarHBondContact O-CE1 3.39Å; G168-H190 PolarHBondContact O-NE2 3.03Å; G168-H190 VanDerWaalsContact O-NE2 3.14Å; Q186-H190 WeakPolarHBondContact O-CB 3.34Å; Q186-H190 PolarHBondContact O-N 3.45Å; Q186-H190 PolarHBondContact O-ND1 2.85Å; Q186-H190 PolarHBondContact OE1-CE1 3.29Å; A187-H190 PolarHBondContact O-N 2.73Å; L188-H190 PolarHBondContact O-N 3Å; H190-P192 VanDerWaalsContact O-CD 3.27Å; H190-P192 WeakPolarHBondContact O-CD 3.38Å; H190-I481 HydrophobicContact CB-CG2 3.64Å; H190-I481 VanDerWaalsContact CD2-CG2 3.43Å; H190-I481 WeakPolarHBondContact CD2-CG2 3.43Å
191T93Very high91.1Very high1 Ų126.9 Ų26.91%0.00614%0.143CC..  trans-78.6112.5168.2-620000109.3A187 L188 L193 L194 R195 I297 F298 V401A187-T191 PolarHBondContact O-N 2.85Å; A187-T191 PolarHBondContact O-OG1 2.86Å; L188-T191 WeakPolarHBondContact O-CB 3.3Å; L188-T191 PolarHBondContact O-N 3.29Å; L188-T191 VanDerWaalsContact O-N 3.08Å; T191-L193 VanDerWaalsContact C-N 3.33Å; T191-L193 PolarHBondContact O-N 3.45Å; T191-L194 HydrophobicContact CG2-CB 4.27Å; T191-L194 HydrophobicContact CG2-CD1 4.17Å; T191-L194 HydrophobicContact CG2-CG 3.9Å; T191-L194 PolarHBondContact O-N 3.38Å; T191-L194 VanDerWaalsContact O-N 3.14Å; T191-R195 PolarHBondContact O-N 3Å; T191-I297 HydrophobicContact CG2-CG2 4.38Å; T191-F298 HydrophobicContact CG2-CZ 4.44Å; T191-V401 HydrophobicContact CG2-CG2 3.8Å
192P86.4Confident89.9Confident50 Ų5035.5 Ų35.533%0.32518%0.176SC..Hα-helixtrans-59-39-169.9-27.536.5000114.4H190 R195 D196H190-P192 VanDerWaalsContact O-CD 3.27Å; H190-P192 WeakPolarHBondContact O-CD 3.38Å; P192-R195 WeakPolarHBondContact O-CB 3.44Å; P192-R195 PolarHBondContact O-N 3.03Å; P192-D196 PolarHBondContact O-N 2.76Å
193L87.9Confident89Confident43 Ų4336.4 Ų36.423%0.22518%0.18CC..Hα-helixtrans-69.8-35.2179.8-67.9-178.7000112.9T191 F197 I297 I400 L519T191-L193 VanDerWaalsContact C-N 3.33Å; T191-L193 PolarHBondContact O-N 3.45Å; L193-F197 WeakPolarHBondContact O-CB 3.38Å; L193-F197 PolarHBondContact O-N 3.08Å; L193-I297 HydrophobicContact CB-CD1 3.48Å; L193-I297 VanDerWaalsContact CB-CD1 3.48Å; L193-I297 HydrophobicContact CB-CG1 3.97Å; L193-I297 HydrophobicContact CD1-CD1 4.49Å; L193-I297 HydrophobicContact CD1-CG1 4.06Å; L193-I400 HydrophobicContact CD1-CB 4.25Å; L193-I400 HydrophobicContact CD1-CD1 3.75Å; L193-I400 HydrophobicContact CD1-CG2 3.47Å; L193-I400 VanDerWaalsContact CD1-CG2 3.47Å; L193-L519 HydrophobicContact CD1-CD1 4.27Å; L193-L519 HydrophobicContact CD1-CD2 4.36Å; L193-L519 HydrophobicContact CD2-CD1 3.98Å; L193-L519 HydrophobicContact CG-CD1 4.46Å
194L91.4Very high88Confident0 Ų044.1 Ų44.10%021%0.213CC..Hα-helixtrans-65.5-45.9171.5-69.1-177.5000110.2L188 T191 D196 F197 F198 F221 I293 I294 I297 F298L188-L194 HydrophobicContact CB-CD1 4.28Å; L188-L194 HydrophobicContact CD2-CD1 4.01Å; T191-L194 HydrophobicContact CG2-CB 4.27Å; T191-L194 HydrophobicContact CG2-CD1 4.17Å; T191-L194 HydrophobicContact CG2-CG 3.9Å; T191-L194 PolarHBondContact O-N 3.38Å; T191-L194 VanDerWaalsContact O-N 3.14Å; L194-D196 VanDerWaalsContact C-N 3.32Å; L194-D196 PolarHBondContact O-N 3.02Å; L194-F197 PolarHBondContact O-N 3.31Å; L194-F198 HydrophobicContact CB-CD2 4.13Å; L194-F198 HydrophobicContact CB-CE2 4.22Å; L194-F198 HydrophobicContact CD2-CE2 4.02Å; L194-F198 WeakPolarHBondContact O-CB 3.13Å; L194-F198 WeakPolarHBondContact O-CD2 3.33Å; L194-F198 PolarHBondContact O-N 2.98Å; L194-F221 HydrophobicContact CB-CE2 4.37Å; L194-F221 HydrophobicContact CB-CZ 3.75Å; L194-I293 HydrophobicContact CD2-CG1 3.99Å; L194-I293 HydrophobicContact CD2-CG2 4.46Å; L194-I294 HydrophobicContact CD2-CD1 4.28Å; L194-I297 HydrophobicContact CD2-CD1 3.53Å; L194-I297 HydrophobicContact CG-CD1 3.87Å; L194-F298 HydrophobicContact CD1-CE2 3.92Å; L194-F298 HydrophobicContact CD1-CZ 4.06Å; L194-F298 HydrophobicContact CD2-CE2 4.32Å; L194-F298 HydrophobicContact CG-CE2 4.28Å
195R89.6Confident87.1Confident64 Ų6446.3 Ų46.324%0.24223%0.228CC..Hα-helixtrans-53.1-50.8175.5178.3-160.467.5-152-4.5111.3T191 P192 F197 F198 L199 F221 Y225T191-R195 PolarHBondContact O-N 3Å; P192-R195 WeakPolarHBondContact O-CB 3.44Å; P192-R195 PolarHBondContact O-N 3.03Å; R195-F197 VanDerWaalsContact C-N 3.33Å; R195-F197 PolarHBondContact O-N 3.31Å; R195-F198 PolarHBondContact O-N 2.91Å; R195-L199 HydrophobicContact CG-CD1 3.64Å; R195-L199 HydrophobicContact CG-CG 4.27Å; R195-L199 VanDerWaalsContact O-CB 3.26Å; R195-L199 WeakPolarHBondContact O-CB 3.31Å; R195-L199 VanDerWaalsContact O-CG 3.27Å; R195-L199 WeakPolarHBondContact O-CG 3.23Å; R195-L199 PolarHBondContact O-N 3.27Å; R195-F221 HydrophobicContact CB-CD1 4.07Å; R195-F221 HydrophobicContact CB-CE1 3.71Å; R195-F221 HydrophobicContact CG-CD1 4.28Å; R195-F221 HydrophobicContact CG-CE1 4.39Å; R195-Y225 WeakPolarHBondContact CD-OH 3.25Å; R195-Y225 HydrophobicContact CG-CD2 4.5Å; R195-Y225 HydrophobicContact CG-CE1 3.97Å; R195-Y225 HydrophobicContact CG-CE2 3.94Å
196D86.8Confident86.1Confident79 Ų7954.2 Ų54.242%0.42227%0.265SS..Hα-helixtrans-66.7-36.9-176.7-63.3-9.9000111.3P192 L194 S200P192-D196 PolarHBondContact O-N 2.76Å; L194-D196 VanDerWaalsContact C-N 3.32Å; L194-D196 PolarHBondContact O-N 3.02Å; D196-S200 VanDerWaalsContact O-CB 3.22Å; D196-S200 WeakPolarHBondContact O-CB 3.34Å; D196-S200 PolarHBondContact O-N 3.14Å; D196-S200 PolarHBondContact O-OG 3.24Å
197F86.9Confident85Confident36 Ų3657.8 Ų57.816%0.15828%0.282CS..Hα-helixtrans-63.1-55.2173.2178.4-95.1000112.2L193 L194 R195 L199 S200 R202 I293L193-F197 WeakPolarHBondContact O-CB 3.38Å; L193-F197 PolarHBondContact O-N 3.08Å; L194-F197 PolarHBondContact O-N 3.31Å; R195-F197 VanDerWaalsContact C-N 3.33Å; R195-F197 PolarHBondContact O-N 3.31Å; F197-L199 PolarHBondContact O-N 3.48Å; F197-S200 PolarHBondContact O-N 2.96Å; F197-S200 PolarHBondContact O-OG 2.94Å; F197-R202 HydrophobicContact CE2-CB 4.16Å; F197-I293 HydrophobicContact CB-CD1 3.83Å; F197-I293 HydrophobicContact CB-CG1 3.79Å; F197-I293 HydrophobicContact CD1-CB 4.1Å; F197-I293 HydrophobicContact CD1-CG1 3.96Å; F197-I293 HydrophobicContact CD1-CG2 3.92Å; F197-I293 HydrophobicContact CD2-CB 3.91Å; F197-I293 HydrophobicContact CD2-CD1 3.76Å; F197-I293 HydrophobicContact CD2-CG1 3.78Å; F197-I293 HydrophobicContact CE1-CB 4.16Å; F197-I293 HydrophobicContact CE1-CG2 3.78Å; F197-I293 HydrophobicContact CE2-CB 3.96Å; F197-I293 HydrophobicContact CE2-CG1 4.36Å; F197-I293 HydrophobicContact CE2-CG2 4.43Å; F197-I293 HydrophobicContact CG-CB 3.99Å; F197-I293 HydrophobicContact CG-CD1 3.87Å; F197-I293 HydrophobicContact CG-CG1 3.56Å; F197-I293 HydrophobicContact CG-CG2 4.33Å; F197-I293 HydrophobicContact CZ-CB 4.09Å; F197-I293 HydrophobicContact CZ-CG2 4.05Å
198F88.8Confident83.8Confident3 Ų365.5 Ų65.51%0.01332%0.318CS..Hα-helixtrans-70.7-29.4-174.7-75.1-67.9000113.5L194 R195 V214 M217 S218 F221 L267L194-F198 HydrophobicContact CB-CD2 4.13Å; L194-F198 HydrophobicContact CB-CE2 4.22Å; L194-F198 HydrophobicContact CD2-CE2 4.02Å; L194-F198 WeakPolarHBondContact O-CB 3.13Å; L194-F198 WeakPolarHBondContact O-CD2 3.33Å; L194-F198 PolarHBondContact O-N 2.98Å; R195-F198 PolarHBondContact O-N 2.91Å; F198-V214 HydrophobicContact CD1-CG1 4.49Å; F198-V214 HydrophobicContact CE1-CB 4.47Å; F198-V214 HydrophobicContact CE1-CG1 3.67Å; F198-V214 WeakPolarHBondContact CE1-O 3.2Å; F198-V214 HydrophobicContact CZ-CG1 4.48Å; F198-M217 HydrophobicContact CD1-CB 4.02Å; F198-M217 HydrophobicContact CE1-CB 3.48Å; F198-M217 VanDerWaalsContact CE1-CB 3.48Å; F198-M217 HydrophobicContact CE2-CB 4.11Å; F198-M217 HydrophobicContact CZ-CB 3.55Å; F198-M217 HydrophobicContact CZ-CG 4.19Å; F198-S218 WeakPolarHBondContact CD1-OG 3.25Å; F198-F221 HydrophobicContact CB-CB 4Å; F198-F221 HydrophobicContact CB-CD2 3.49Å; F198-F221 VanDerWaalsContact CB-CD2 3.49Å; F198-F221 HydrophobicContact CB-CE2 4.1Å; F198-F221 HydrophobicContact CB-CG 3.78Å; F198-F221 HydrophobicContact CD1-CD2 4.47Å; F198-F221 AromaticContact CD2-CD2 3.4Å; F198-F221 HydrophobicContact CD2-CD2 3.4Å; F198-F221 VanDerWaalsContact CD2-CD2 3.4Å; F198-F221 AromaticContact CD2-CE2 3.11Å; F198-F221 HydrophobicContact CD2-CE2 3.11Å; F198-F221 HydrophobicContact CD2-CG 4.38Å; F198-F221 AromaticContact CD2-CZ 3.87Å; F198-F221 HydrophobicContact CD2-CZ 3.87Å; F198-F221 HydrophobicContact CE2-CD2 4.23Å; F198-F221 AromaticContact CE2-CE2 3.67Å; F198-F221 HydrophobicContact CE2-CE2 3.67Å; F198-F221 HydrophobicContact CE2-CZ 4.49Å; F198-F221 AromaticContact CG-CD2 3.56Å; F198-F221 HydrophobicContact CG-CD2 3.56Å; F198-F221 AromaticContact CG-CE2 3.8Å; F198-F221 HydrophobicContact CG-CE2 3.8Å; F198-F221 HydrophobicContact CG-CG 4.34Å; F198-L267 HydrophobicContact CZ-CD2 4.36Å
199L86.1Confident82.3Confident79 Ų7969.1 Ų69.141%0.41434%0.344SS..Hα-helixtrans-82.2-11.1174.3-65.3-177.9000113.7R195 F197 D201 F221 Q222 Y225R195-L199 HydrophobicContact CG-CD1 3.64Å; R195-L199 HydrophobicContact CG-CG 4.27Å; R195-L199 VanDerWaalsContact O-CB 3.26Å; R195-L199 WeakPolarHBondContact O-CB 3.31Å; R195-L199 VanDerWaalsContact O-CG 3.27Å; R195-L199 WeakPolarHBondContact O-CG 3.23Å; R195-L199 PolarHBondContact O-N 3.27Å; F197-L199 PolarHBondContact O-N 3.48Å; L199-D201 VanDerWaalsContact C-N 3.33Å; L199-F221 HydrophobicContact CD2-CB 4.12Å; L199-Q222 HydrophobicContact CD2-CG 4.31Å; L199-Y225 HydrophobicContact CD1-CD1 4.43Å; L199-Y225 HydrophobicContact CD1-CG 4.16Å
200S80.9Confident81.4Confident56 Ų5675 Ų7539%0.39238%0.376SS..THydrogen-bonded Turntrans-90.55.3176.362.50000114.1D196 F197 R202D196-S200 VanDerWaalsContact O-CB 3.22Å; D196-S200 WeakPolarHBondContact O-CB 3.34Å; D196-S200 PolarHBondContact O-N 3.14Å; D196-S200 PolarHBondContact O-OG 3.24Å; F197-S200 PolarHBondContact O-N 2.96Å; F197-S200 PolarHBondContact O-OG 2.94Å; S200-R202 PolarHBondContact O-N 3.36Å; S200-R202 VanDerWaalsContact O-N 3.14Å; S200-R202 WeakPolarHBondContact OG-CD 3.39Å; S200-R202 WeakPolarHBondContact OG-CG 3.24Å; S200-R202 PolarHBondContact OG-NE 3.12Å
201D71.3Confident81Confident123 Ų12376 Ų7666%0.65838%0.384SS*.THydrogen-bonded Turntrans48.939.7176.8-156.831.9000113.4L199 H203L199-D201 VanDerWaalsContact C-N 3.33Å; D201-H203 VanDerWaalsContact C-N 3.34Å
202R70.6Confident80.9Confident182 Ų18276 Ų7669%0.68738%0.384SS*.  trans-79.5-14.6-176.4-75.4-177-176-116.22.7114.2F197 S200F197-R202 HydrophobicContact CE2-CB 4.16Å; S200-R202 PolarHBondContact O-N 3.36Å; S200-R202 VanDerWaalsContact O-N 3.14Å; S200-R202 WeakPolarHBondContact OG-CD 3.39Å; S200-R202 WeakPolarHBondContact OG-CG 3.24Å; S200-R202 PolarHBondContact OG-NE 3.12Å
203H78.3Confident81.1Confident21 Ų2173.7 Ų73.710%0.09737%0.369CS..  trans-80.7120.9-176.2178.650.3000111.2D201 C212 V214 D274D201-H203 VanDerWaalsContact C-N 3.34Å; H203-C212 PolarHBondContact NE2-SG 3.19Å; H203-V214 HydrophobicContact CB-CG1 3.8Å; H203-V214 VanDerWaalsContact CD2-CG1 3.47Å; H203-V214 WeakPolarHBondContact CD2-CG1 3.45Å; H203-D274 IonicContact CE1-OD2 3.32Å; H203-D274 IonicContact CG-OD2 3.52Å; H203-D274 IonicContact ND1-OD2 3.7Å; H203-D274 PolarHBondContact ND1-OD2 3.47Å
204K76.6Confident81.3Confident166 Ų16671.6 Ų71.672%0.72236%0.358SS*.  trans-99.597.5171.5-67.6178-178.6175.60108.9E206 D274K204-E206 PolarHBondContact O-N 3.21Å; K204-E206 VanDerWaalsContact O-N 3.16Å; K204-D274 PolarHBondContact N-OD1 3.38Å; K204-D274 PolarHBondContact N-OD2 2.86Å
205C80.1Confident81.3Confident46 Ų4672.6 Ų72.631%0.31137%0.365SS..  trans-71.4110.8-176.9-173.60000111.9M207 C215C205-M207 PolarHBondContact SG-O 3Å; C205-C215 WeakPolarHBondContact CB-SG 3.43Å
206E74.9Confident81.4Confident168 Ų16870.3 Ų70.379%0.78536%0.357SS*.  trans-86.2-10.8169.1-60.9-169.9157.700112.7K204K204-E206 PolarHBondContact O-N 3.21Å; K204-E206 VanDerWaalsContact O-N 3.16Å
207M74.3Confident81.7Confident77 Ų7766.7 Ų66.738%0.37934%0.337SS..SBendtrans-84.6164.2176.4-59.2-179.171.200111.4C205 S209 C212C205-M207 PolarHBondContact SG-O 3Å; M207-S209 PolarHBondContact O-N 2.88Å; M207-C212 HydrophobicContact CB-CB 4.29Å; M207-C212 HydrophobicContact SD-CB 4.41Å
208Q72Confident82Confident162 Ų16265.5 Ų65.576%0.75733%0.333SS*.  trans-58.8129.6166.9-69.7179.70.400108.9N210 S211Q208-N210 PolarHBondContact O-N 3.36Å; Q208-S211 PolarHBondContact O-N 3.2Å; Q208-S211 PolarHBondContact O-OG 3.21Å
209S64.8Low82.1Confident80 Ų8068.9 Ų68.956%0.55935%0.349SS*.THydrogen-bonded Turntrans-51.7-29.6-170.854.50000114.4M207M207-S209 PolarHBondContact O-N 2.88Å
210N75.4Confident82.5Confident125 Ų12565.1 Ų65.167%0.66833%0.33SS*.THydrogen-bonded Turntrans-88.43-178.8-66.2-5.2000114.7Q208 L240Q208-N210 PolarHBondContact O-N 3.36Å; N210-L240 WeakPolarHBondContact O-CD2 3.39Å
211S86.1Confident83.1Confident34 Ų3462.5 Ų62.524%0.23831%0.311CS..THydrogen-bonded Turntrans-115.9-5.3-177.966.10000113.7Q208 H244Q208-S211 PolarHBondContact O-N 3.2Å; Q208-S211 PolarHBondContact O-OG 3.21Å; S211-H244 PolarHBondContact O-NE2 2.81Å
212C89.9Confident84Confident1 Ų161.4 Ų61.41%0.00730%0.302CS..  trans-99.9116.5-174.6-177.40000111.4H203 M207 V214 C215 E216H203-C212 PolarHBondContact NE2-SG 3.19Å; M207-C212 HydrophobicContact CB-CB 4.29Å; M207-C212 HydrophobicContact SD-CB 4.41Å; C212-V214 VanDerWaalsContact C-N 3.27Å; C212-V214 PolarHBondContact O-N 3.14Å; C212-V214 PolarHBondContact SG-N 3.5Å; C212-V214 VanDerWaalsContact SG-N 3.44Å; C212-C215 HydrophobicContact CB-CB 4.04Å; C212-C215 PolarHBondContact O-N 3.5Å; C212-E216 PolarHBondContact O-N 2.73Å
213L91.6Very high84.9Confident2 Ų256.4 Ų56.41%0.0129%0.286CS..Hα-helixtrans-64.6-29.7175.6-171.461.1000112.7E216 M217 L237 L240 V241 V266 L267 H270L213-E216 PolarHBondContact O-N 3.03Å; L213-M217 WeakPolarHBondContact O-CB 3.33Å; L213-M217 WeakPolarHBondContact O-CG 3.4Å; L213-M217 PolarHBondContact O-N 3.44Å; L213-L237 HydrophobicContact CD1-CG 4.11Å; L213-L240 HydrophobicContact CD1-CB 4.16Å; L213-L240 HydrophobicContact CD1-CD1 4.33Å; L213-V241 HydrophobicContact CD1-CG2 4.26Å; L213-V241 HydrophobicContact CD2-CG2 4.16Å; L213-V266 HydrophobicContact CB-CG1 3.79Å; L213-V266 HydrophobicContact CD2-CB 3.66Å; L213-V266 HydrophobicContact CD2-CG1 3.44Å; L213-V266 VanDerWaalsContact CD2-CG1 3.44Å; L213-V266 HydrophobicContact CG-CG1 4.26Å; L213-L267 HydrophobicContact CB-CD2 4.26Å; L213-L267 HydrophobicContact CD2-CD2 4Å; L213-L267 HydrophobicContact CD2-CG 3.81Å; L213-L267 HydrophobicContact CG-CD2 3.79Å; L213-L267 HydrophobicContact CG-CG 4.19Å; L213-H270 WeakPolarHBondContact CB-ND1 3.29Å; L213-H270 PolarHBondContact N-ND1 2.64Å; L213-H270 VanDerWaalsContact N-ND1 3.13Å
214V91.5Very high85.6Confident0 Ų055.5 Ų55.50%028%0.282CS..Hα-helixtrans-67.1-42.1177.4-175.10000110.2F198 H203 C212 M217 S218 L267 H270 C271F198-V214 HydrophobicContact CD1-CG1 4.49Å; F198-V214 HydrophobicContact CE1-CB 4.47Å; F198-V214 HydrophobicContact CE1-CG1 3.67Å; F198-V214 WeakPolarHBondContact CE1-O 3.2Å; F198-V214 HydrophobicContact CZ-CG1 4.48Å; H203-V214 HydrophobicContact CB-CG1 3.8Å; H203-V214 VanDerWaalsContact CD2-CG1 3.47Å; H203-V214 WeakPolarHBondContact CD2-CG1 3.45Å; C212-V214 VanDerWaalsContact C-N 3.27Å; C212-V214 PolarHBondContact O-N 3.14Å; C212-V214 PolarHBondContact SG-N 3.5Å; C212-V214 VanDerWaalsContact SG-N 3.44Å; V214-M217 PolarHBondContact O-N 3.38Å; V214-S218 PolarHBondContact O-N 3.36Å; V214-S218 PolarHBondContact O-OG 2.88Å; V214-L267 HydrophobicContact CG2-CD2 4.08Å; V214-H270 HydrophobicContact CG2-CB 3.65Å; V214-C271 VanDerWaalsContact CG2-SG 3.57Å
215C90.4Very high86.2Confident21 Ų2149.5 Ų49.514%0.14226%0.255CS..Hα-helixtrans-62.1-41.8173.2-71.20000112.7C205 C212 S218 Q219C205-C215 WeakPolarHBondContact CB-SG 3.43Å; C212-C215 HydrophobicContact CB-CB 4.04Å; C212-C215 PolarHBondContact O-N 3.5Å; C215-S218 WeakPolarHBondContact O-CB 3.46Å; C215-S218 PolarHBondContact O-N 3.14Å; C215-Q219 WeakPolarHBondContact O-CG 3.49Å; C215-Q219 PolarHBondContact O-N 3.35Å
216E92.9Very high86.4Confident15 Ų1548.2 Ų48.27%0.0725%0.247CC..Hα-helixtrans-66.1-42.2176.7-177.359-151.700111.2C212 L213 S218 Q219 L220 R236 L237 L240C212-E216 PolarHBondContact O-N 2.73Å; L213-E216 PolarHBondContact O-N 3.03Å; E216-S218 VanDerWaalsContact C-N 3.35Å; E216-S218 PolarHBondContact O-N 3.19Å; E216-Q219 PolarHBondContact O-N 3.3Å; E216-L220 WeakPolarHBondContact O-CB 3.17Å; E216-L220 PolarHBondContact O-N 3.15Å; E216-R236 VanDerWaalsContact CD-CB 3.41Å; E216-R236 HydrophobicContact CG-CB 4.2Å; E216-R236 WeakPolarHBondContact OE1-CB 3.42Å; E216-R236 VanDerWaalsContact OE2-CB 3.31Å; E216-R236 WeakPolarHBondContact OE2-CB 3.47Å; E216-R236 VanDerWaalsContact OE2-CD 3.29Å; E216-R236 WeakPolarHBondContact OE2-CD 3.29Å; E216-L237 HydrophobicContact CG-CB 4.03Å; E216-L240 HydrophobicContact CB-CD1 3.61Å; E216-L240 HydrophobicContact CG-CD1 4.03Å
217M93.4Very high86.7Confident4 Ų441.8 Ų41.82%0.0223%0.225CC..Hα-helixtrans-61-42.9172.7-72.7-58.5-67.400111.2L188 F198 L213 V214 Q219 L220 F221 L237 L267L188-M217 HydrophobicContact CB-CE 4.37Å; F198-M217 HydrophobicContact CD1-CB 4.02Å; F198-M217 HydrophobicContact CE1-CB 3.48Å; F198-M217 VanDerWaalsContact CE1-CB 3.48Å; F198-M217 HydrophobicContact CE2-CB 4.11Å; F198-M217 HydrophobicContact CZ-CB 3.55Å; F198-M217 HydrophobicContact CZ-CG 4.19Å; L213-M217 WeakPolarHBondContact O-CB 3.33Å; L213-M217 WeakPolarHBondContact O-CG 3.4Å; L213-M217 PolarHBondContact O-N 3.44Å; V214-M217 PolarHBondContact O-N 3.38Å; M217-Q219 VanDerWaalsContact C-N 3.33Å; M217-Q219 PolarHBondContact O-N 3.23Å; M217-L220 HydrophobicContact CE-CD2 4.33Å; M217-L220 WeakPolarHBondContact O-CB 3.47Å; M217-L220 PolarHBondContact O-N 3.29Å; M217-L220 VanDerWaalsContact O-N 3.15Å; M217-L220 HydrophobicContact SD-CD2 3.93Å; M217-F221 HydrophobicContact CE-CD2 4.3Å; M217-F221 HydrophobicContact CE-CE2 3.66Å; M217-F221 VanDerWaalsContact O-CD2 3.23Å; M217-F221 WeakPolarHBondContact O-CD2 3.27Å; M217-F221 PolarHBondContact O-N 3.37Å; M217-L237 HydrophobicContact SD-CD1 3.54Å; M217-L237 VanDerWaalsContact SD-CD1 3.54Å; M217-L267 HydrophobicContact CG-CD1 4.46Å; M217-L267 HydrophobicContact CG-CD2 3.75Å
218S92.1Very high87.2Confident10 Ų1043.4 Ų43.47%0.0723%0.232CC..Hα-helixtrans-55.3-47.2173.6-66.50000112.1F198 V214 C215 E216 F221 Q222F198-S218 WeakPolarHBondContact CD1-OG 3.25Å; V214-S218 PolarHBondContact O-N 3.36Å; V214-S218 PolarHBondContact O-OG 2.88Å; C215-S218 WeakPolarHBondContact O-CB 3.46Å; C215-S218 PolarHBondContact O-N 3.14Å; E216-S218 VanDerWaalsContact C-N 3.35Å; E216-S218 PolarHBondContact O-N 3.19Å; S218-F221 PolarHBondContact O-N 3.46Å; S218-Q222 VanDerWaalsContact O-CG 3.29Å; S218-Q222 WeakPolarHBondContact O-CG 3.45Å; S218-Q222 PolarHBondContact O-N 3.31Å
219Q91.2Very high87.6Confident74 Ų7445 Ų4535%0.34623%0.231SC..Hα-helixtrans-62.5-43.4176.2-72.3173.645.700111.4C215 E216 M217 F221 Q222 E223C215-Q219 WeakPolarHBondContact O-CG 3.49Å; C215-Q219 PolarHBondContact O-N 3.35Å; E216-Q219 PolarHBondContact O-N 3.3Å; M217-Q219 VanDerWaalsContact C-N 3.33Å; M217-Q219 PolarHBondContact O-N 3.23Å; Q219-F221 PolarHBondContact O-N 3.35Å; Q219-Q222 WeakPolarHBondContact O-CB 3.34Å; Q219-Q222 PolarHBondContact O-N 3.13Å; Q219-E223 WeakPolarHBondContact O-CB 3.28Å; Q219-E223 WeakPolarHBondContact O-CG 3.28Å; Q219-E223 PolarHBondContact O-N 3.34Å
220L93.6Very high88.9Confident1 Ų144.3 Ų44.31%0.00523%0.227CC..Hα-helixtrans-61.9-43.6178.2-175.266.8000112.2V185 T189 E216 M217 E223 F224 H232 L237V185-L220 HydrophobicContact CG1-CD2 3.65Å; T189-L220 HydrophobicContact CG2-CD2 4.09Å; T189-L220 HydrophobicContact CG2-CG 4.29Å; E216-L220 WeakPolarHBondContact O-CB 3.17Å; E216-L220 PolarHBondContact O-N 3.15Å; M217-L220 HydrophobicContact CE-CD2 4.33Å; M217-L220 WeakPolarHBondContact O-CB 3.47Å; M217-L220 PolarHBondContact O-N 3.29Å; M217-L220 VanDerWaalsContact O-N 3.15Å; M217-L220 HydrophobicContact SD-CD2 3.93Å; L220-E223 WeakPolarHBondContact O-CB 3.39Å; L220-E223 PolarHBondContact O-N 2.76Å; L220-F224 HydrophobicContact CD1-CD2 3.86Å; L220-F224 HydrophobicContact CD1-CE2 3.61Å; L220-F224 HydrophobicContact CG-CD2 4.16Å; L220-F224 HydrophobicContact CG-CE2 4.18Å; L220-F224 WeakPolarHBondContact O-CB 3.3Å; L220-F224 WeakPolarHBondContact O-CD2 3.34Å; L220-F224 PolarHBondContact O-N 3.14Å; L220-H232 VanDerWaalsContact CD1-CD2 3.48Å; L220-H232 WeakPolarHBondContact CD1-CD2 3.48Å; L220-L237 HydrophobicContact CD2-CD1 3.65Å
221F93.3Very high89.8Confident0 Ų040.7 Ų40.70%021%0.21CC..Hα-helixtrans-62.7-43.3173.4-87.2-82.3000111T189 L194 R195 F198 L199 M217 S218 Q219 E223 F224 Y225T189-F221 HydrophobicContact CG2-CZ 4.44Å; T189-F221 WeakPolarHBondContact O-CE1 3.4Å; L194-F221 HydrophobicContact CB-CE2 4.37Å; L194-F221 HydrophobicContact CB-CZ 3.75Å; R195-F221 HydrophobicContact CB-CD1 4.07Å; R195-F221 HydrophobicContact CB-CE1 3.71Å; R195-F221 HydrophobicContact CG-CD1 4.28Å; R195-F221 HydrophobicContact CG-CE1 4.39Å; F198-F221 HydrophobicContact CB-CB 4Å; F198-F221 HydrophobicContact CB-CD2 3.49Å; F198-F221 VanDerWaalsContact CB-CD2 3.49Å; F198-F221 HydrophobicContact CB-CE2 4.1Å; F198-F221 HydrophobicContact CB-CG 3.78Å; F198-F221 HydrophobicContact CD1-CD2 4.47Å; F198-F221 AromaticContact CD2-CD2 3.4Å; F198-F221 HydrophobicContact CD2-CD2 3.4Å; F198-F221 VanDerWaalsContact CD2-CD2 3.4Å; F198-F221 AromaticContact CD2-CE2 3.11Å; F198-F221 HydrophobicContact CD2-CE2 3.11Å; F198-F221 HydrophobicContact CD2-CG 4.38Å; F198-F221 AromaticContact CD2-CZ 3.87Å; F198-F221 HydrophobicContact CD2-CZ 3.87Å; F198-F221 HydrophobicContact CE2-CD2 4.23Å; F198-F221 AromaticContact CE2-CE2 3.67Å; F198-F221 HydrophobicContact CE2-CE2 3.67Å; F198-F221 HydrophobicContact CE2-CZ 4.49Å; F198-F221 AromaticContact CG-CD2 3.56Å; F198-F221 HydrophobicContact CG-CD2 3.56Å; F198-F221 AromaticContact CG-CE2 3.8Å; F198-F221 HydrophobicContact CG-CE2 3.8Å; F198-F221 HydrophobicContact CG-CG 4.34Å; L199-F221 HydrophobicContact CD2-CB 4.12Å; M217-F221 HydrophobicContact CE-CD2 4.3Å; M217-F221 HydrophobicContact CE-CE2 3.66Å; M217-F221 VanDerWaalsContact O-CD2 3.23Å; M217-F221 WeakPolarHBondContact O-CD2 3.27Å; M217-F221 PolarHBondContact O-N 3.37Å; S218-F221 PolarHBondContact O-N 3.46Å; Q219-F221 PolarHBondContact O-N 3.35Å; F221-E223 VanDerWaalsContact C-N 3.3Å; F221-E223 PolarHBondContact O-N 3.35Å; F221-F224 PolarHBondContact O-N 3.16Å; F221-Y225 HydrophobicContact CD1-CD2 4.24Å; F221-Y225 AromaticContact CD1-CE2 3.86Å; F221-Y225 HydrophobicContact CD1-CE2 3.86Å; F221-Y225 HydrophobicContact CE1-CE2 4.36Å; F221-Y225 WeakPolarHBondContact O-CB 3.36Å; F221-Y225 VanDerWaalsContact O-CD2 3.23Å; F221-Y225 WeakPolarHBondContact O-CD2 3.38Å; F221-Y225 PolarHBondContact O-N 3.42Å
222Q90.3Very high90.2Very high101 Ų10140.4 Ų40.447%0.47220%0.204SC..Hα-helixtrans-59.1-43.6173.8-70.3173.129.300111.1L199 S218 Q219 Y225 S226L199-Q222 HydrophobicContact CD2-CG 4.31Å; S218-Q222 VanDerWaalsContact O-CG 3.29Å; S218-Q222 WeakPolarHBondContact O-CG 3.45Å; S218-Q222 PolarHBondContact O-N 3.31Å; Q219-Q222 WeakPolarHBondContact O-CB 3.34Å; Q219-Q222 PolarHBondContact O-N 3.13Å; Q222-Y225 CarbonylContact O-C 3.56Å; Q222-Y225 PolarHBondContact O-N 2.91Å; Q222-S226 WeakPolarHBondContact O-CA 3.14Å; Q222-S226 WeakPolarHBondContact O-CB 3.35Å; Q222-S226 PolarHBondContact O-N 2.86Å
223E91.4Very high90.5Very high76 Ų7644.5 Ų44.536%0.35523%0.225SC..Hα-helixtrans-65.6-39.2177.7-78.5-61.2133.800113.4R170 Q219 L220 F221 S226R170-E223 IonicContact CZ-OE2 3.28Å; R170-E223 PolarHBondContact NH1-O 3.28Å; R170-E223 IonicContact NH1-OE2 3.89Å; R170-E223 PolarHBondContact NH1-OE2 3.36Å; R170-E223 IonicContact NH2-OE2 2.72Å; Q219-E223 WeakPolarHBondContact O-CB 3.28Å; Q219-E223 WeakPolarHBondContact O-CG 3.28Å; Q219-E223 PolarHBondContact O-N 3.34Å; L220-E223 WeakPolarHBondContact O-CB 3.39Å; L220-E223 PolarHBondContact O-N 2.76Å; F221-E223 VanDerWaalsContact C-N 3.3Å; F221-E223 PolarHBondContact O-N 3.35Å; E223-S226 WeakPolarHBondContact O-CB 3.22Å; E223-S226 PolarHBondContact O-OG 2.94Å
224F91.3Very high90.5Very high2 Ų244.4 Ų44.41%0.00923%0.225CC..Hα-helixtrans-69.2-39.4176.6-92.3-124.9000111.8G168 R170 L172 V185 T189 L220 F221 H232G168-F224 WeakPolarHBondContact CA-O 3.41Å; G168-F224 PolarHBondContact N-O 3Å; G168-F224 WeakPolarHBondContact O-CD1 3.42Å; R170-F224 HydrophobicContact CB-CD1 4.25Å; R170-F224 HydrophobicContact CB-CD2 4.46Å; R170-F224 HydrophobicContact CB-CE1 4.27Å; R170-F224 HydrophobicContact CB-CE2 4.47Å; R170-F224 HydrophobicContact CB-CG 4.33Å; R170-F224 HydrophobicContact CB-CZ 4.37Å; L172-F224 HydrophobicContact CD1-CZ 4.24Å; L172-F224 HydrophobicContact CD2-CE2 3.8Å; L172-F224 HydrophobicContact CD2-CZ 3.67Å; L172-F224 HydrophobicContact CG-CZ 3.96Å; V185-F224 HydrophobicContact CG1-CZ 4.45Å; T189-F224 HydrophobicContact CG2-CD1 4.03Å; T189-F224 HydrophobicContact CG2-CE1 4.12Å; T189-F224 HydrophobicContact CG2-CG 4.31Å; T189-F224 HydrophobicContact CG2-CZ 4.46Å; T189-F224 WeakPolarHBondContact OG1-CE1 3.45Å; L220-F224 HydrophobicContact CD1-CD2 3.86Å; L220-F224 HydrophobicContact CD1-CE2 3.61Å; L220-F224 HydrophobicContact CG-CD2 4.16Å; L220-F224 HydrophobicContact CG-CE2 4.18Å; L220-F224 WeakPolarHBondContact O-CB 3.3Å; L220-F224 WeakPolarHBondContact O-CD2 3.34Å; L220-F224 PolarHBondContact O-N 3.14Å; F221-F224 PolarHBondContact O-N 3.16Å; F224-H232 HydrophobicContact CE2-CB 4.33Å
225Y89.2Confident90.5Very high40 Ų4050 Ų5016%0.15725%0.25CC..Hα-helixtrans-93.20.3-178.6-67-99.5000112.7I167 T189 R195 L199 F221 Q222 G227I167-Y225 HydrophobicContact CG2-CD1 3.61Å; I167-Y225 HydrophobicContact CG2-CE1 4.41Å; I167-Y225 HydrophobicContact CG2-CG 4.21Å; T189-Y225 PolarHBondContact O-OH 3.38Å; R195-Y225 WeakPolarHBondContact CD-OH 3.25Å; R195-Y225 HydrophobicContact CG-CD2 4.5Å; R195-Y225 HydrophobicContact CG-CE1 3.97Å; R195-Y225 HydrophobicContact CG-CE2 3.94Å; L199-Y225 HydrophobicContact CD1-CD1 4.43Å; L199-Y225 HydrophobicContact CD1-CG 4.16Å; F221-Y225 HydrophobicContact CD1-CD2 4.24Å; F221-Y225 AromaticContact CD1-CE2 3.86Å; F221-Y225 HydrophobicContact CD1-CE2 3.86Å; F221-Y225 HydrophobicContact CE1-CE2 4.36Å; F221-Y225 WeakPolarHBondContact O-CB 3.36Å; F221-Y225 VanDerWaalsContact O-CD2 3.23Å; F221-Y225 WeakPolarHBondContact O-CD2 3.38Å; F221-Y225 PolarHBondContact O-N 3.42Å; Q222-Y225 CarbonylContact O-C 3.56Å; Q222-Y225 PolarHBondContact O-N 2.91Å; Y225-G227 PolarHBondContact O-N 3.24Å; Y225-G227 VanDerWaalsContact O-N 3.13Å
226S85.8Confident90.5Very high20 Ų2054.2 Ų54.214%0.1426%0.263CS..THydrogen-bonded Turntrans-68.8-0.6171.476.60000113.2R159 Q222 E223 H228R159-S226 PolarHBondContact NH1-O 3.12Å; R159-S226 PolarHBondContact NH2-O 2.97Å; Q222-S226 WeakPolarHBondContact O-CA 3.14Å; Q222-S226 WeakPolarHBondContact O-CB 3.35Å; Q222-S226 PolarHBondContact O-N 2.86Å; E223-S226 WeakPolarHBondContact O-CB 3.22Å; E223-S226 PolarHBondContact O-OG 2.94Å; S226-H228 PolarHBondContact O-CD2 3.5Å; S226-H228 PolarHBondContact O-N 3.21Å; S226-H228 PolarHBondContact OG-CD2 3.48Å; S226-H228 VanDerWaalsContact OG-CD2 3.24Å; S226-H228 PolarHBondContact OG-N 2.84Å
227G80.7Confident90.5Very high32 Ų3253.8 Ų53.833%0.3326%0.261SS..  trans61.96.117600000115.5Y225Y225-G227 PolarHBondContact O-N 3.24Å; Y225-G227 VanDerWaalsContact O-N 3.13Å
228H83.8Confident90.3Very high111 Ų11154.2 Ų54.251%0.51426%0.263SS..  trans-65.7134.7163.8-74.3-94.4000109.1S226S226-H228 PolarHBondContact O-CD2 3.5Å; S226-H228 PolarHBondContact O-N 3.21Å; S226-H228 PolarHBondContact OG-CD2 3.48Å; S226-H228 VanDerWaalsContact OG-CD2 3.24Å; S226-H228 PolarHBondContact OG-N 2.84Å
229R82.1Confident90.2Very high195 Ų19559.1 Ų59.174%0.73629%0.285SS*.  trans-99-15.5-177.9-62.3-175.1-179.6-166.1-1.1113.7
230S90.9Very high90.2Very high67 Ų6756.1 Ų56.147%0.46927%0.271SS..SBendtrans-63.6141.7177520000109.7R170 H232R170-S230 WeakPolarHBondContact CG-O 3.26Å; R170-S230 PolarHBondContact NE-O 2.88Å; R170-S230 PolarHBondContact NH2-O 2.84Å; S230-H232 PolarHBondContact O-N 2.82Å
231P94.1Very high90.1Very high49 Ų4956 Ų5632%0.31827%0.27SS..PPolyproline II helixtrans-53.7142.2175.3-27.135.2000112.1G171 I173 A494G171-P231 CarbonylContact O-C 3.58Å; G171-P231 WeakPolarHBondContact O-CA 3.38Å; I173-P231 HydrophobicContact CD1-CB 3.47Å; I173-P231 VanDerWaalsContact CD1-CB 3.47Å; I173-P231 HydrophobicContact CD1-CG 4.1Å; I173-P231 HydrophobicContact CG1-CB 3.81Å; P231-A494 HydrophobicContact CB-CB 4.04Å; P231-A494 HydrophobicContact CG-CB 3.85Å
232H95.6Very high89.9Confident27 Ų2758.4 Ų58.413%0.12528%0.279CS..BIsolated β-bridgetrans-92150.7177.7-179.178.9000110.7R170 G171 L172 I173 L220 F224 S230 P234R170-H232 HydrophobicContact CG-CB 4.42Å; G171-H232 PolarHBondContact O-N 2.86Å; L172-H232 WeakPolarHBondContact CA-O 3.5Å; L172-H232 HydrophobicContact CD2-CB 4.13Å; I173-H232 PolarHBondContact N-O 3.43Å; L220-H232 VanDerWaalsContact CD1-CD2 3.48Å; L220-H232 WeakPolarHBondContact CD1-CD2 3.48Å; F224-H232 HydrophobicContact CE2-CB 4.33Å; S230-H232 PolarHBondContact O-N 2.82Å; H232-P234 WeakPolarHBondContact O-CD 3.3Å
233I95.6Very high89.8Confident87 Ų8757 Ų5745%0.44628%0.278SS..  trans-109.299.7179.2-61169.3000108.8I173 L175 F235I173-I233 HydrophobicContact CB-CG1 3.94Å; I173-I233 HydrophobicContact CG1-CG1 3.71Å; I173-I233 HydrophobicContact CG2-CG1 4.49Å; L175-I233 HydrophobicContact CD1-CG2 4.24Å; L175-I233 HydrophobicContact CD2-CG2 3.87Å; I233-F235 HydrophobicContact CG2-CB 4.22Å; I233-F235 HydrophobicContact CG2-CD1 4.09Å; I233-F235 PolarHBondContact O-N 2.97Å
234P92.3Very high89.6Confident1 Ų156.2 Ų56.21%0.00627%0.274CS..  trans-83.442.6-173.735.9-39.6000113.6L172 M181 H232 R236 L237 L238L172-P234 HydrophobicContact CD2-CB 4.31Å; L172-P234 HydrophobicContact CD2-CG 4.02Å; M181-P234 HydrophobicContact CE-CB 4.06Å; M181-P234 HydrophobicContact CE-CG 3.44Å; M181-P234 VanDerWaalsContact CE-CG 3.44Å; H232-P234 WeakPolarHBondContact O-CD 3.3Å; P234-R236 VanDerWaalsContact C-N 3.34Å; P234-R236 PolarHBondContact O-N 3.26Å; P234-L237 HydrophobicContact CB-CB 4.47Å; P234-L237 PolarHBondContact O-N 3.2Å; P234-L238 PolarHBondContact O-N 3.01Å
235F91Very high89.5Confident118 Ų11856.5 Ų56.552%0.51828%0.276SS..Hα-helixtrans-66.4-33.3-173.175.8-85.8000113.5L175 I233 H239L175-F235 HydrophobicContact CD1-CB 4.05Å; I233-F235 HydrophobicContact CG2-CB 4.22Å; I233-F235 HydrophobicContact CG2-CD1 4.09Å; I233-F235 PolarHBondContact O-N 2.97Å; F235-H239 WeakPolarHBondContact O-CB 3.34Å; F235-H239 PolarHBondContact O-N 2.74Å
236R90.9Very high89.3Confident109 Ų10964.5 Ų64.541%0.41131%0.306SS..Hα-helixtrans-69.1-43.7178.2-73-174.9175.5178.7-1.9111.7E216 P234 L238 H239 L240E216-R236 VanDerWaalsContact CD-CB 3.41Å; E216-R236 HydrophobicContact CG-CB 4.2Å; E216-R236 WeakPolarHBondContact OE1-CB 3.42Å; E216-R236 VanDerWaalsContact OE2-CB 3.31Å; E216-R236 WeakPolarHBondContact OE2-CB 3.47Å; E216-R236 VanDerWaalsContact OE2-CD 3.29Å; E216-R236 WeakPolarHBondContact OE2-CD 3.29Å; P234-R236 VanDerWaalsContact C-N 3.34Å; P234-R236 PolarHBondContact O-N 3.26Å; R236-L238 VanDerWaalsContact C-N 3.33Å; R236-L238 PolarHBondContact O-N 3.13Å; R236-H239 PolarHBondContact O-N 2.59Å; R236-L240 WeakPolarHBondContact O-CB 3.34Å; R236-L240 WeakPolarHBondContact O-CG 3.48Å; R236-L240 PolarHBondContact O-N 3.02Å
237L91.7Very high89.2Confident5 Ų569.2 Ų69.23%0.02633%0.326CS..Hα-helixtrans-57.6-48.3174.9-173.8151.8000110.7M181 V185 L213 E216 M217 L220 P234 H239 L240 V241 F259M181-L237 HydrophobicContact CG-CD2 4.11Å; M181-L237 HydrophobicContact SD-CD2 3.56Å; M181-L237 VanDerWaalsContact SD-CD2 3.56Å; V185-L237 HydrophobicContact CG2-CD1 4.06Å; V185-L237 HydrophobicContact CG2-CD2 4.13Å; L213-L237 HydrophobicContact CD1-CG 4.11Å; E216-L237 HydrophobicContact CG-CB 4.03Å; M217-L237 HydrophobicContact SD-CD1 3.54Å; M217-L237 VanDerWaalsContact SD-CD1 3.54Å; L220-L237 HydrophobicContact CD2-CD1 3.65Å; P234-L237 HydrophobicContact CB-CB 4.47Å; P234-L237 PolarHBondContact O-N 3.2Å; L237-H239 PolarHBondContact O-N 3.42Å; L237-L240 PolarHBondContact O-N 2.94Å; L237-V241 HydrophobicContact CD2-CG2 4.23Å; L237-V241 WeakPolarHBondContact O-CG2 3.47Å; L237-V241 PolarHBondContact O-N 3.49Å; L237-F259 HydrophobicContact CD2-CZ 3.87Å
238L90.4Very high89.4Confident13 Ų1367.7 Ų67.77%0.06831%0.31CS..Hα-helixtrans-56.6-50.1176.4-176.465.2000111.7L175 T178 M181 P234 R236 L240 V241 W242L175-L238 HydrophobicContact CD1-CD2 4.39Å; T178-L238 HydrophobicContact CG2-CD1 4.45Å; T178-L238 HydrophobicContact CG2-CD2 3.86Å; M181-L238 HydrophobicContact CE-CB 4.13Å; M181-L238 HydrophobicContact CE-CD1 4.35Å; M181-L238 HydrophobicContact SD-CB 3.81Å; M181-L238 HydrophobicContact SD-CD1 3.74Å; M181-L238 HydrophobicContact SD-CG 4.36Å; P234-L238 PolarHBondContact O-N 3.01Å; R236-L238 VanDerWaalsContact C-N 3.33Å; R236-L238 PolarHBondContact O-N 3.13Å; L238-L240 VanDerWaalsContact C-N 3.34Å; L238-L240 PolarHBondContact O-N 3.07Å; L238-V241 PolarHBondContact O-N 2.88Å; L238-W242 HydrophobicContact CD1-CD2 4.23Å; L238-W242 VanDerWaalsContact CD1-CE2 3.49Å; L238-W242 HydrophobicContact CD1-CZ2 3.68Å; L238-W242 HydrophobicContact CD2-CH2 3.88Å; L238-W242 HydrophobicContact CD2-CZ2 3.77Å; L238-W242 HydrophobicContact CD2-CZ3 4.43Å; L238-W242 HydrophobicContact CG-CD2 4.07Å; L238-W242 HydrophobicContact CG-CE3 4.45Å; L238-W242 HydrophobicContact CG-CH2 4.19Å; L238-W242 HydrophobicContact CG-CZ2 3.77Å; L238-W242 WeakPolarHBondContact O-CB 3.48Å; L238-W242 PolarHBondContact O-N 2.78Å
239H90.2Very high89.2Confident114 Ų11464.7 Ų64.753%0.52831%0.305SS..Hα-helixtrans-59.8-41.9179.3177.367.9000112.9F235 R236 L237 T243F235-H239 WeakPolarHBondContact O-CB 3.34Å; F235-H239 PolarHBondContact O-N 2.74Å; R236-H239 PolarHBondContact O-N 2.59Å; L237-H239 PolarHBondContact O-N 3.42Å; H239-T243 WeakPolarHBondContact O-CB 3.35Å; H239-T243 PolarHBondContact O-N 2.83Å; H239-T243 PolarHBondContact O-OG1 3.07Å
240L91.2Very high89.1Confident10 Ų1056.8 Ų56.85%0.05228%0.284CS..Hα-helixtrans-65.8-45.8178.6-75.1173.8000111.7N210 L213 E216 R236 L237 L238 T243 H244N210-L240 WeakPolarHBondContact O-CD2 3.39Å; L213-L240 HydrophobicContact CD1-CB 4.16Å; L213-L240 HydrophobicContact CD1-CD1 4.33Å; E216-L240 HydrophobicContact CB-CD1 3.61Å; E216-L240 HydrophobicContact CG-CD1 4.03Å; R236-L240 WeakPolarHBondContact O-CB 3.34Å; R236-L240 WeakPolarHBondContact O-CG 3.48Å; R236-L240 PolarHBondContact O-N 3.02Å; L237-L240 PolarHBondContact O-N 2.94Å; L238-L240 VanDerWaalsContact C-N 3.34Å; L238-L240 PolarHBondContact O-N 3.07Å; L240-T243 PolarHBondContact O-N 2.89Å; L240-H244 PolarHBondContact O-CD2 3.5Å; L240-H244 VanDerWaalsContact O-CD2 3.23Å; L240-H244 PolarHBondContact O-N 2.98Å; L240-H244 VanDerWaalsContact O-N 3.15Å
241V89.8Confident88.5Confident0 Ų062.4 Ų62.40%030%0.296CS..Hα-helixtrans-62.7-45.7177.4177.40000110.3L213 L237 L238 T243 H244 A245 L248 F259L213-V241 HydrophobicContact CD1-CG2 4.26Å; L213-V241 HydrophobicContact CD2-CG2 4.16Å; L237-V241 HydrophobicContact CD2-CG2 4.23Å; L237-V241 WeakPolarHBondContact O-CG2 3.47Å; L237-V241 PolarHBondContact O-N 3.49Å; L238-V241 PolarHBondContact O-N 2.88Å; V241-T243 VanDerWaalsContact C-N 3.29Å; V241-T243 PolarHBondContact O-N 2.96Å; V241-H244 PolarHBondContact O-N 3.42Å; V241-A245 HydrophobicContact CG1-CB 4.3Å; V241-A245 WeakPolarHBondContact O-CA 3.5Å; V241-A245 WeakPolarHBondContact O-CB 3.35Å; V241-A245 PolarHBondContact O-N 3.09Å; V241-L248 HydrophobicContact CG1-CD1 4.44Å; V241-F259 HydrophobicContact CB-CE2 4Å; V241-F259 HydrophobicContact CG1-CD2 4.05Å; V241-F259 HydrophobicContact CG1-CE2 3.63Å; V241-F259 HydrophobicContact CG1-CZ 4.45Å; V241-F259 HydrophobicContact CG2-CE2 4.07Å; V241-F259 HydrophobicContact CG2-CZ 4.15Å
242W88.9Confident87.9Confident50 Ų5067 Ų6719%0.18931%0.313CS..Hα-helixtrans-58.8-38.1176.2-73.7-4.9000113.8L238 H244 A245 R246 L248 A249 G250L238-W242 HydrophobicContact CD1-CD2 4.23Å; L238-W242 VanDerWaalsContact CD1-CE2 3.49Å; L238-W242 HydrophobicContact CD1-CZ2 3.68Å; L238-W242 HydrophobicContact CD2-CH2 3.88Å; L238-W242 HydrophobicContact CD2-CZ2 3.77Å; L238-W242 HydrophobicContact CD2-CZ3 4.43Å; L238-W242 HydrophobicContact CG-CD2 4.07Å; L238-W242 HydrophobicContact CG-CE3 4.45Å; L238-W242 HydrophobicContact CG-CH2 4.19Å; L238-W242 HydrophobicContact CG-CZ2 3.77Å; L238-W242 WeakPolarHBondContact O-CB 3.48Å; L238-W242 PolarHBondContact O-N 2.78Å; W242-H244 VanDerWaalsContact C-N 3.33Å; W242-H244 PolarHBondContact O-N 2.93Å; W242-A245 CarbonylContact O-C 3.4Å; W242-R246 WeakPolarHBondContact O-CA 3.47Å; W242-R246 PolarHBondContact O-N 2.87Å; W242-L248 VanDerWaalsContact CD1-O 3.26Å; W242-L248 PolarHBondContact NE1-O 2.93Å; W242-A249 HydrophobicContact CB-CB 3.79Å; W242-A249 HydrophobicContact CD2-CB 4.41Å; W242-A249 HydrophobicContact CG-CB 3.92Å; W242-G250 WeakPolarHBondContact CH2-O 3.31Å; W242-G250 WeakPolarHBondContact CZ2-O 3.23Å
243T88.9Confident87.2Confident71 Ų7169.1 Ų69.144%0.43632%0.323SS..Hα-helixtrans-66.7-38179.7-58.60000111.5H239 L240 V241H239-T243 WeakPolarHBondContact O-CB 3.35Å; H239-T243 PolarHBondContact O-N 2.83Å; H239-T243 PolarHBondContact O-OG1 3.07Å; L240-T243 PolarHBondContact O-N 2.89Å; V241-T243 VanDerWaalsContact C-N 3.29Å; V241-T243 PolarHBondContact O-N 2.96Å
244H87.1Confident87Confident60 Ų6066.7 Ų66.728%0.27831%0.31SS..Hα-helixtrans-95.7-17.1-176.3-71.3-76.4000114.5S211 L240 V241 W242 V266 H270S211-H244 PolarHBondContact O-NE2 2.81Å; L240-H244 PolarHBondContact O-CD2 3.5Å; L240-H244 VanDerWaalsContact O-CD2 3.23Å; L240-H244 PolarHBondContact O-N 2.98Å; L240-H244 VanDerWaalsContact O-N 3.15Å; V241-H244 PolarHBondContact O-N 3.42Å; W242-H244 VanDerWaalsContact C-N 3.33Å; W242-H244 PolarHBondContact O-N 2.93Å; H244-V266 HydrophobicContact CB-CG1 4.04Å; H244-V266 HydrophobicContact CB-CG2 3.67Å; H244-H270 AromaticContact CD2-CE1 3.64Å; H244-H270 AromaticContact CE1-CE1 3.72Å; H244-H270 AromaticContact CE1-NE2 3.34Å; H244-H270 PolarHBondContact CE1-NE2 2.84Å; H244-H270 VanDerWaalsContact CE1-NE2 3.34Å; H244-H270 AromaticContact ND1-NE2 3.83Å; H244-H270 AromaticContact NE2-CE1 3.35Å; H244-H270 PolarHBondContact NE2-CE1 3.38Å; H244-H270 VanDerWaalsContact NE2-CE1 3.35Å; H244-H270 AromaticContact NE2-NE2 3.46Å; H244-H270 PolarHBondContact NE2-NE2 3.42Å
245A88.9Confident87Confident7 Ų768.3 Ų68.36%0.05832%0.319CS..  trans-131.972178.300000109.3V241 W242 H247 L248 A262V241-A245 HydrophobicContact CG1-CB 4.3Å; V241-A245 WeakPolarHBondContact O-CA 3.5Å; V241-A245 WeakPolarHBondContact O-CB 3.35Å; V241-A245 PolarHBondContact O-N 3.09Å; W242-A245 CarbonylContact O-C 3.4Å; A245-H247 PolarHBondContact O-N 3.27Å; A245-H247 VanDerWaalsContact O-N 3.09Å; A245-L248 HydrophobicContact CB-CD1 4.29Å; A245-L248 PolarHBondContact O-N 2.77Å; A245-A262 HydrophobicContact CB-CB 3.94Å
246R85.3Confident87.2Confident209 Ų20962.7 Ų62.779%0.78929%0.294SS*.G310 helixtrans-59.4-23.7-171.7-67.3-175.9179.9174.1-1.3115W242 L248 A249W242-R246 WeakPolarHBondContact O-CA 3.47Å; W242-R246 PolarHBondContact O-N 2.87Å; R246-L248 PolarHBondContact O-N 2.64Å; R246-A249 VanDerWaalsContact O-CB 3.3Å; R246-A249 WeakPolarHBondContact O-CB 3.32Å; R246-A249 PolarHBondContact O-N 3.22Å; R246-A249 VanDerWaalsContact O-N 3.14Å
247H84.5Confident87.4Confident118 Ų11858.9 Ų58.955%0.54628%0.281SS..G310 helixtrans-67.6-23.7177.260.4-85.1000112.6A245 E258A245-H247 PolarHBondContact O-N 3.27Å; A245-H247 VanDerWaalsContact O-N 3.09Å; H247-E258 IonicContact CD2-OE1 2.84Å; H247-E258 PolarHBondContact CD2-OE1 3.44Å; H247-E258 IonicContact NE2-OE1 2.83Å
248L84.9Confident87.6Confident0 Ų062.5 Ų62.50%030%0.298CS..G310 helixtrans-91.6-3173.8-64.2173.3000113V241 W242 A245 R246 Q254 E258 F259 A262V241-L248 HydrophobicContact CG1-CD1 4.44Å; W242-L248 VanDerWaalsContact CD1-O 3.26Å; W242-L248 PolarHBondContact NE1-O 2.93Å; A245-L248 HydrophobicContact CB-CD1 4.29Å; A245-L248 PolarHBondContact O-N 2.77Å; R246-L248 PolarHBondContact O-N 2.64Å; L248-Q254 HydrophobicContact CD2-CB 4.15Å; L248-Q254 HydrophobicContact CD2-CG 4.17Å; L248-E258 HydrophobicContact CD2-CB 4.32Å; L248-E258 HydrophobicContact CD2-CG 3.88Å; L248-F259 HydrophobicContact CD1-CB 4.44Å; L248-F259 HydrophobicContact CD1-CD2 4.24Å; L248-A262 HydrophobicContact CD1-CB 3.41Å; L248-A262 VanDerWaalsContact CD1-CB 3.41Å
249A79.8Confident87.8Confident48 Ų4862 Ų6240%0.39730%0.295SS..  trans-77.5127.1-176.300000110.7W242 R246W242-A249 HydrophobicContact CB-CB 3.79Å; W242-A249 HydrophobicContact CD2-CB 4.41Å; W242-A249 HydrophobicContact CG-CB 3.92Å; R246-A249 VanDerWaalsContact O-CB 3.3Å; R246-A249 WeakPolarHBondContact O-CB 3.32Å; R246-A249 PolarHBondContact O-N 3.22Å; R246-A249 VanDerWaalsContact O-N 3.14Å
250G79.7Confident88.2Confident29 Ų2956.6 Ų56.630%0.29927%0.27SS..SBendtrans144.6169.7179.800000111.8W242 E252W242-G250 WeakPolarHBondContact CH2-O 3.31Å; W242-G250 WeakPolarHBondContact CZ2-O 3.23Å; G250-E252 PolarHBondContact O-N 2.75Å
251Y77.3Confident88.4Confident185 Ų18558.4 Ų58.473%0.72528%0.279SS*.SBendtrans-85.44.2177.5-72.2-87000113.2N177N177-Y251 PolarHBondContact ND2-O 2.69Å
252E81.6Confident88.6Confident145 Ų14558.9 Ų58.968%0.67828%0.283SS*.SBendtrans-74.7156.8-178.9-62.7-174169.300111.7G250G250-E252 PolarHBondContact O-N 2.75Å
253Q81.9Confident88.9Confident73 Ų7356.7 Ų56.734%0.34128%0.276SS..  trans-68.2139.4170.9-62-168.7-18.200109.2N177 S474 G475N177-Q253 HydrophobicContact CB-CG 3.92Å; N177-Q253 PolarHBondContact OD1-NE2 3.39Å; Q253-S474 VanDerWaalsContact OE1-CA 3.25Å; Q253-G475 PolarHBondContact NE2-O 3.23Å; Q253-G475 VanDerWaalsContact OE1-N 3.09Å
254Q90Very high89.2Confident35 Ų3553.4 Ų53.416%0.16426%0.256CS..  trans-127.5161.3-177.9-59.7-61-24.800110.5F180 L248F180-Q254 VanDerWaalsContact CB-O 3.28Å; F180-Q254 WeakPolarHBondContact CB-O 3.2Å; F180-Q254 HydrophobicContact CD1-CB 4.04Å; F180-Q254 HydrophobicContact CD2-CB 3.95Å; F180-Q254 HydrophobicContact CE1-CB 3.87Å; F180-Q254 HydrophobicContact CE1-CG 4.08Å; F180-Q254 HydrophobicContact CE2-CB 3.79Å; F180-Q254 HydrophobicContact CE2-CG 4.32Å; F180-Q254 HydrophobicContact CG-CB 4.09Å; F180-Q254 HydrophobicContact CZ-CB 3.76Å; F180-Q254 HydrophobicContact CZ-CG 3.89Å; L248-Q254 HydrophobicContact CD2-CB 4.15Å; L248-Q254 HydrophobicContact CD2-CG 4.17Å
255D92.6Very high89.5Confident36 Ų3653.3 Ų53.319%0.19326%0.257CS..  trans-75.7131175.9-165-71.3000111.4H257 E258 F259 F409 Y510D255-H257 VanDerWaalsContact C-N 3.3Å; D255-H257 PolarHBondContact O-N 3.47Å; D255-H257 WeakPolarHBondContact OD1-CA 3.35Å; D255-H257 WeakPolarHBondContact OD1-CB 3.35Å; D255-H257 PolarHBondContact OD1-N 3.24Å; D255-E258 HydrophobicContact CB-CB 4.08Å; D255-E258 PolarHBondContact O-N 2.81Å; D255-F259 PolarHBondContact O-N 3.07Å; D255-F409 WeakPolarHBondContact OD2-CD2 3.45Å; D255-F409 WeakPolarHBondContact OD2-CE2 3.33Å; D255-Y510 PolarHBondContact OD1-OH 2.99Å; D255-Y510 PolarHBondContact OD2-OH 3.45Å
256A95.4Very high89.6Confident0 Ų053 Ų530%025%0.254CS..Hα-helixtrans-64.8-31.1179.700000113.3F180 I184 L260 V466 Y477 Y510 L511F180-A256 HydrophobicContact CB-CB 4.17Å; I184-A256 HydrophobicContact CD1-CB 4.2Å; I184-A256 WeakPolarHBondContact CD1-O 3.45Å; I184-A256 HydrophobicContact CG1-CB 4.13Å; I184-A256 WeakPolarHBondContact CG1-O 3.47Å; A256-L260 WeakPolarHBondContact O-CB 3.3Å; A256-L260 PolarHBondContact O-N 3.15Å; A256-V466 HydrophobicContact CB-CG1 4.49Å; A256-Y477 HydrophobicContact CB-CD1 3.78Å; A256-Y477 HydrophobicContact CB-CD2 4.38Å; A256-Y477 HydrophobicContact CB-CE1 3.54Å; A256-Y477 HydrophobicContact CB-CE2 4.16Å; A256-Y477 HydrophobicContact CB-CG 4.19Å; A256-Y477 PolarHBondContact N-OH 2.74Å; A256-Y510 HydrophobicContact CB-CE1 4.24Å; A256-L511 HydrophobicContact CB-CD1 4.32Å
257H95.8Very high89.9Confident29 Ų2943.1 Ų43.113%0.13422%0.217CC..Hα-helixtrans-67.4-47174178.5-106.9000110.6D255 F259 L260 I261 D323 H405 Y510 L511D255-H257 VanDerWaalsContact C-N 3.3Å; D255-H257 PolarHBondContact O-N 3.47Å; D255-H257 WeakPolarHBondContact OD1-CA 3.35Å; D255-H257 WeakPolarHBondContact OD1-CB 3.35Å; D255-H257 PolarHBondContact OD1-N 3.24Å; H257-F259 VanDerWaalsContact C-N 3.32Å; H257-F259 PolarHBondContact O-N 3.47Å; H257-L260 WeakPolarHBondContact O-CB 3.47Å; H257-L260 PolarHBondContact O-N 3.12Å; H257-L260 VanDerWaalsContact O-N 3.12Å; H257-I261 WeakPolarHBondContact O-CG1 3.43Å; H257-I261 PolarHBondContact O-N 3.05Å; H257-D323 IonicContact CD2-OD2 3.85Å; H257-D323 IonicContact CE1-OD2 3.96Å; H257-D323 IonicContact NE2-OD1 2.81Å; H257-D323 IonicContact NE2-OD2 3.47Å; H257-D323 PolarHBondContact NE2-OD2 2.95Å; H257-H405 AromaticContact CD2-CG 3.63Å; H257-H405 AromaticContact CD2-ND1 3.59Å; H257-H405 AromaticContact CE1-ND1 3.56Å; H257-H405 AromaticContact CG-CE1 3.91Å; H257-H405 AromaticContact CG-CG 3.87Å; H257-H405 AromaticContact CG-ND1 3.58Å; H257-H405 AromaticContact ND1-CE1 3.81Å; H257-H405 AromaticContact ND1-ND1 3.56Å; H257-H405 AromaticContact NE2-CG 3.93Å; H257-H405 AromaticContact NE2-ND1 3.56Å; H257-Y510 HydrophobicContact CB-CE1 4.24Å; H257-L511 HydrophobicContact CB-CD2 4.08Å
258E94.7Very high90.2Very high81 Ų8138.4 Ų38.438%0.37920%0.195SC..Hα-helixtrans-60.4-43.3177.9-166.5177.5-166.800111.3H247 L248 D255 L260 I261 A262H247-E258 IonicContact CD2-OE1 2.84Å; H247-E258 PolarHBondContact CD2-OE1 3.44Å; H247-E258 IonicContact NE2-OE1 2.83Å; L248-E258 HydrophobicContact CD2-CB 4.32Å; L248-E258 HydrophobicContact CD2-CG 3.88Å; D255-E258 HydrophobicContact CB-CB 4.08Å; D255-E258 PolarHBondContact O-N 2.81Å; E258-L260 PolarHBondContact O-N 3.05Å; E258-I261 PolarHBondContact O-N 3.15Å; E258-A262 WeakPolarHBondContact O-CB 3.48Å; E258-A262 PolarHBondContact O-N 2.98Å
259F96.1Very high90.4Very high2 Ų242.9 Ų42.91%0.00921%0.212CC..Hα-helixtrans-61.7-42173.7-178.8-94.9000113F180 M181 I184 L237 V241 L248 D255 H257 A262 A263F180-F259 HydrophobicContact CD2-CB 3.62Å; F180-F259 HydrophobicContact CD2-CD2 4.09Å; F180-F259 AromaticContact CD2-CG 3.81Å; F180-F259 HydrophobicContact CD2-CG 3.81Å; F180-F259 HydrophobicContact CE2-CB 3.78Å; F180-F259 AromaticContact CE2-CD2 3.47Å; F180-F259 HydrophobicContact CE2-CD2 3.47Å; F180-F259 VanDerWaalsContact CE2-CD2 3.47Å; F180-F259 HydrophobicContact CE2-CE2 4.19Å; F180-F259 AromaticContact CE2-CG 3.69Å; F180-F259 HydrophobicContact CE2-CG 3.69Å; M181-F259 HydrophobicContact CB-CD1 4.34Å; M181-F259 HydrophobicContact CB-CE1 3.94Å; M181-F259 HydrophobicContact CB-CE2 4.13Å; M181-F259 HydrophobicContact CB-CZ 3.82Å; M181-F259 HydrophobicContact CG-CE1 3.67Å; M181-F259 HydrophobicContact CG-CE2 4.05Å; M181-F259 HydrophobicContact CG-CZ 3.37Å; M181-F259 HydrophobicContact SD-CE2 4.33Å; M181-F259 HydrophobicContact SD-CZ 3.94Å; I184-F259 HydrophobicContact CB-CD1 3.95Å; I184-F259 HydrophobicContact CB-CE1 4.22Å; I184-F259 HydrophobicContact CG1-CD1 4.12Å; I184-F259 HydrophobicContact CG2-CD1 3.96Å; I184-F259 HydrophobicContact CG2-CE1 4.12Å; L237-F259 HydrophobicContact CD2-CZ 3.87Å; V241-F259 HydrophobicContact CB-CE2 4Å; V241-F259 HydrophobicContact CG1-CD2 4.05Å; V241-F259 HydrophobicContact CG1-CE2 3.63Å; V241-F259 HydrophobicContact CG1-CZ 4.45Å; V241-F259 HydrophobicContact CG2-CE2 4.07Å; V241-F259 HydrophobicContact CG2-CZ 4.15Å; L248-F259 HydrophobicContact CD1-CB 4.44Å; L248-F259 HydrophobicContact CD1-CD2 4.24Å; D255-F259 PolarHBondContact O-N 3.07Å; H257-F259 VanDerWaalsContact C-N 3.32Å; H257-F259 PolarHBondContact O-N 3.47Å; F259-A262 PolarHBondContact O-N 3.39Å; F259-A263 HydrophobicContact CE1-CB 4.36Å; F259-A263 VanDerWaalsContact O-CB 3.25Å; F259-A263 WeakPolarHBondContact O-CB 3.29Å; F259-A263 PolarHBondContact O-N 3.48Å
260L96.9Very high90.7Very high1 Ų141.3 Ų41.31%0.00520%0.196CC..Hα-helixtrans-58.3-51.5176173.167.4000111.1I184 L188 A256 H257 E258 A262 A263 L264 C403 F513I184-L260 HydrophobicContact CD1-CB 3.98Å; I184-L260 HydrophobicContact CG1-CB 4.34Å; I184-L260 HydrophobicContact CG2-CB 4.15Å; I184-L260 HydrophobicContact CG2-CD1 3.8Å; L188-L260 HydrophobicContact CD2-CD1 4.2Å; A256-L260 WeakPolarHBondContact O-CB 3.3Å; A256-L260 PolarHBondContact O-N 3.15Å; H257-L260 WeakPolarHBondContact O-CB 3.47Å; H257-L260 PolarHBondContact O-N 3.12Å; H257-L260 VanDerWaalsContact O-N 3.12Å; E258-L260 PolarHBondContact O-N 3.05Å; L260-A262 PolarHBondContact O-N 3.12Å; L260-A263 PolarHBondContact O-N 3.48Å; L260-L264 HydrophobicContact CD1-CD1 4Å; L260-L264 HydrophobicContact CD1-CG 4.09Å; L260-L264 HydrophobicContact CG-CD1 4.12Å; L260-L264 HydrophobicContact CG-CG 4.49Å; L260-L264 WeakPolarHBondContact O-CG 3.35Å; L260-L264 PolarHBondContact O-N 2.96Å; L260-C403 VanDerWaalsContact CD2-SG 3.57Å; L260-F513 HydrophobicContact CD1-CE1 4.31Å; L260-F513 HydrophobicContact CD1-CZ 4.35Å; L260-F513 HydrophobicContact CD2-CE1 4.02Å; L260-F513 HydrophobicContact CD2-CZ 3.83Å
261I95.8Very high90.8Very high48 Ų4840.2 Ų40.225%0.24619%0.185CC..Hα-helixtrans-63.3-43.3-178.3-59.9-53.1000110.7H257 E258 A263 L264 D265 W322 D323H257-I261 WeakPolarHBondContact O-CG1 3.43Å; H257-I261 PolarHBondContact O-N 3.05Å; E258-I261 PolarHBondContact O-N 3.15Å; I261-A263 PolarHBondContact O-N 3.39Å; I261-L264 PolarHBondContact O-N 3.5Å; I261-D265 WeakPolarHBondContact O-CB 3.41Å; I261-D265 PolarHBondContact O-N 3.12Å; I261-W322 HydrophobicContact CG2-CE3 4.38Å; I261-W322 HydrophobicContact CG2-CZ3 4.47Å; I261-D323 HydrophobicContact CD1-CB 4.36Å; I261-D323 WeakPolarHBondContact CD1-OD1 3.37Å
262A95.1Very high90.3Very high9 Ų935.5 Ų35.57%0.07417%0.168CC..Hα-helixtrans-61.9-43.8175.400000112.3A245 L248 E258 F259 L260 D265 V266A245-A262 HydrophobicContact CB-CB 3.94Å; L248-A262 HydrophobicContact CD1-CB 3.41Å; L248-A262 VanDerWaalsContact CD1-CB 3.41Å; E258-A262 WeakPolarHBondContact O-CB 3.48Å; E258-A262 PolarHBondContact O-N 2.98Å; F259-A262 PolarHBondContact O-N 3.39Å; L260-A262 PolarHBondContact O-N 3.12Å; A262-D265 PolarHBondContact O-N 3.02Å; A262-V266 WeakPolarHBondContact O-CG2 3.22Å; A262-V266 PolarHBondContact O-N 2.99Å
263A95.1Very high89Confident5 Ų530.5 Ų30.54%0.04116%0.155CC..Hα-helixtrans-64.5-43.3178.400000112F259 L260 I261 D265 V266 L267F259-A263 HydrophobicContact CE1-CB 4.36Å; F259-A263 VanDerWaalsContact O-CB 3.25Å; F259-A263 WeakPolarHBondContact O-CB 3.29Å; F259-A263 PolarHBondContact O-N 3.48Å; L260-A263 PolarHBondContact O-N 3.48Å; I261-A263 PolarHBondContact O-N 3.39Å; A263-D265 VanDerWaalsContact C-N 3.35Å; A263-V266 PolarHBondContact O-N 3.4Å; A263-L267 WeakPolarHBondContact O-CB 3.47Å; A263-L267 VanDerWaalsContact O-CG 3.27Å; A263-L267 WeakPolarHBondContact O-CG 3.46Å; A263-L267 PolarHBondContact O-N 3.38Å
264L94.9Very high87.4Confident2 Ų229.6 Ų29.61%0.0115%0.153CC..Hα-helixtrans-63.1-39.5175.6-68.6179.4000111.7L188 L260 I261 L267 H268 I294 F298 W322L188-L264 HydrophobicContact CD2-CD2 4.29Å; L260-L264 HydrophobicContact CD1-CD1 4Å; L260-L264 HydrophobicContact CD1-CG 4.09Å; L260-L264 HydrophobicContact CG-CD1 4.12Å; L260-L264 HydrophobicContact CG-CG 4.49Å; L260-L264 WeakPolarHBondContact O-CG 3.35Å; L260-L264 PolarHBondContact O-N 2.96Å; I261-L264 PolarHBondContact O-N 3.5Å; L264-L267 PolarHBondContact O-N 3.02Å; L264-H268 VanDerWaalsContact O-CB 3.28Å; L264-H268 WeakPolarHBondContact O-CB 3.49Å; L264-H268 PolarHBondContact O-N 3.32Å; L264-I294 HydrophobicContact CB-CG2 4.24Å; L264-I294 HydrophobicContact CD2-CD1 4.11Å; L264-I294 HydrophobicContact CD2-CG2 4.12Å; L264-F298 HydrophobicContact CD1-CG 4.42Å; L264-F298 HydrophobicContact CD2-CD2 4.02Å; L264-F298 HydrophobicContact CD2-CE2 4.05Å; L264-F298 HydrophobicContact CD2-CG 4.45Å; L264-F298 HydrophobicContact CD2-CZ 4.49Å; L264-W322 HydrophobicContact CB-CD2 4.25Å; L264-W322 HydrophobicContact CB-CE3 3.67Å; L264-W322 HydrophobicContact CB-CZ3 3.86Å; L264-W322 HydrophobicContact CD1-CB 4.16Å; L264-W322 HydrophobicContact CD1-CD2 4.46Å; L264-W322 HydrophobicContact CD1-CE3 4.29Å; L264-W322 HydrophobicContact CD1-CG 4.44Å
265D92.8Very high85.4Confident58 Ų5832.3 Ų32.331%0.3117%0.172SC..Hα-helixtrans-63.6-46.7175.117769.4000112.6I261 A262 A263 L267 H268 R269 W322I261-D265 WeakPolarHBondContact O-CB 3.41Å; I261-D265 PolarHBondContact O-N 3.12Å; A262-D265 PolarHBondContact O-N 3.02Å; A263-D265 VanDerWaalsContact C-N 3.35Å; D265-L267 VanDerWaalsContact C-N 3.32Å; D265-L267 PolarHBondContact O-N 3.35Å; D265-H268 WeakPolarHBondContact O-CB 3.46Å; D265-H268 PolarHBondContact O-N 3.42Å; D265-R269 WeakPolarHBondContact O-CG 3.36Å; D265-R269 PolarHBondContact O-N 3.4Å; D265-R269 IonicContact OD1-NE 3.59Å; D265-R269 IonicContact OD2-CZ 3.26Å; D265-R269 VanDerWaalsContact OD2-CZ 3.28Å; D265-R269 IonicContact OD2-NE 2.66Å; D265-R269 PolarHBondContact OD2-NE 3.47Å; D265-R269 IonicContact OD2-NH2 2.8Å; D265-R269 PolarHBondContact OD2-NH2 3.5Å; D265-W322 VanDerWaalsContact CA-CH2 3.44Å; D265-W322 HydrophobicContact CB-CH2 3.83Å; D265-W322 HydrophobicContact CB-CZ3 3.77Å
266V92.3Very high83.2Confident0 Ų038 Ų380%020%0.2CC..Hα-helixtrans-62.7-42.1177.6179.30000110.4L213 H244 A262 A263 R269 H270L213-V266 HydrophobicContact CB-CG1 3.79Å; L213-V266 HydrophobicContact CD2-CB 3.66Å; L213-V266 HydrophobicContact CD2-CG1 3.44Å; L213-V266 VanDerWaalsContact CD2-CG1 3.44Å; L213-V266 HydrophobicContact CG-CG1 4.26Å; H244-V266 HydrophobicContact CB-CG1 4.04Å; H244-V266 HydrophobicContact CB-CG2 3.67Å; A262-V266 WeakPolarHBondContact O-CG2 3.22Å; A262-V266 PolarHBondContact O-N 2.99Å; A263-V266 PolarHBondContact O-N 3.4Å; V266-R269 PolarHBondContact O-N 2.95Å; V266-H270 WeakPolarHBondContact CG1-CE1 3.34Å; V266-H270 WeakPolarHBondContact O-CB 3.5Å; V266-H270 VanDerWaalsContact O-CG 3.25Å; V266-H270 PolarHBondContact O-N 3.48Å; V266-H270 PolarHBondContact O-ND1 2.86Å
267L91.7Very high80.8Confident2 Ų248.4 Ų48.41%0.0124%0.24CC..Hα-helixtrans-62-47.5175.3-74.8170.1000111.7F198 L213 V214 M217 A263 L264 D265 R269 H270 C271 I294F198-L267 HydrophobicContact CZ-CD2 4.36Å; L213-L267 HydrophobicContact CB-CD2 4.26Å; L213-L267 HydrophobicContact CD2-CD2 4Å; L213-L267 HydrophobicContact CD2-CG 3.81Å; L213-L267 HydrophobicContact CG-CD2 3.79Å; L213-L267 HydrophobicContact CG-CG 4.19Å; V214-L267 HydrophobicContact CG2-CD2 4.08Å; M217-L267 HydrophobicContact CG-CD1 4.46Å; M217-L267 HydrophobicContact CG-CD2 3.75Å; A263-L267 WeakPolarHBondContact O-CB 3.47Å; A263-L267 VanDerWaalsContact O-CG 3.27Å; A263-L267 WeakPolarHBondContact O-CG 3.46Å; A263-L267 PolarHBondContact O-N 3.38Å; L264-L267 PolarHBondContact O-N 3.02Å; D265-L267 VanDerWaalsContact C-N 3.32Å; D265-L267 PolarHBondContact O-N 3.35Å; L267-R269 PolarHBondContact O-N 2.96Å; L267-H270 PolarHBondContact O-N 3.4Å; L267-C271 WeakPolarHBondContact O-CB 3.29Å; L267-C271 PolarHBondContact O-N 2.84Å; L267-C271 PolarHBondContact O-SG 2.91Å; L267-I294 HydrophobicContact CB-CD1 3.85Å; L267-I294 HydrophobicContact CB-CG1 3.7Å; L267-I294 HydrophobicContact CD1-CD1 3.98Å
268H90.1Very high78.2Confident19 Ų1951.7 Ų51.79%0.08826%0.258CS..Hα-helixtrans-55.5-49.1176.4175.860.3000112L264 D265 H270 C271 K272 C290 C292 I294 D295 W322L264-H268 VanDerWaalsContact O-CB 3.28Å; L264-H268 WeakPolarHBondContact O-CB 3.49Å; L264-H268 PolarHBondContact O-N 3.32Å; D265-H268 WeakPolarHBondContact O-CB 3.46Å; D265-H268 PolarHBondContact O-N 3.42Å; H268-H270 PolarHBondContact O-N 2.93Å; H268-C271 PolarHBondContact O-N 3.41Å; H268-K272 WeakPolarHBondContact CE1-CE 3.39Å; H268-K272 VanDerWaalsContact NE2-CE 3.28Å; H268-K272 WeakPolarHBondContact NE2-CE 3.42Å; H268-K272 PolarHBondContact NE2-NZ 3.13Å; H268-K272 VanDerWaalsContact NE2-NZ 3.19Å; H268-K272 WeakPolarHBondContact O-CG 3.16Å; H268-K272 PolarHBondContact O-N 3.27Å; H268-K272 VanDerWaalsContact O-N 3.16Å; H268-C290 WeakPolarHBondContact CE1-CB 3.18Å; H268-C292 PolarHBondContact ND1-SG 3.5Å; H268-I294 HydrophobicContact CB-CB 4.43Å; H268-I294 HydrophobicContact CB-CG2 4.47Å; H268-D295 IonicContact CE1-OD1 2.74Å; H268-D295 PolarHBondContact CE1-OD1 3.06Å; H268-D295 IonicContact CE1-OD2 2.76Å; H268-D295 PolarHBondContact CE1-OD2 2.98Å; H268-D295 IonicContact ND1-OD1 2.79Å; H268-W322 HydrophobicContact CB-CH2 4.33Å; H268-W322 HydrophobicContact CB-CZ2 4.17Å; H268-W322 AromaticContact CD2-CZ2 3.97Å
269R88.3Confident75.9Confident94 Ų9456.3 Ų56.336%0.35529%0.286SS..Hα-helixtrans-62.7-41.7178.1-75.3-172.3-74.1120.9-11.3112.6D265 V266 L267 K272D265-R269 WeakPolarHBondContact O-CG 3.36Å; D265-R269 PolarHBondContact O-N 3.4Å; D265-R269 IonicContact OD1-NE 3.59Å; D265-R269 IonicContact OD2-CZ 3.26Å; D265-R269 VanDerWaalsContact OD2-CZ 3.28Å; D265-R269 IonicContact OD2-NE 2.66Å; D265-R269 PolarHBondContact OD2-NE 3.47Å; D265-R269 IonicContact OD2-NH2 2.8Å; D265-R269 PolarHBondContact OD2-NH2 3.5Å; V266-R269 PolarHBondContact O-N 2.95Å; L267-R269 PolarHBondContact O-N 2.96Å; R269-K272 PolarHBondContact O-N 2.93Å
270H87.5Confident73.7Confident14 Ų1463.5 Ų63.57%0.06532%0.324CS..Hα-helixtrans-75.6-22179.4-67.9166.8000113.4L213 V214 H244 V266 L267 H268L213-H270 WeakPolarHBondContact CB-ND1 3.29Å; L213-H270 PolarHBondContact N-ND1 2.64Å; L213-H270 VanDerWaalsContact N-ND1 3.13Å; V214-H270 HydrophobicContact CG2-CB 3.65Å; H244-H270 AromaticContact CD2-CE1 3.64Å; H244-H270 AromaticContact CE1-CE1 3.72Å; H244-H270 AromaticContact CE1-NE2 3.34Å; H244-H270 PolarHBondContact CE1-NE2 2.84Å; H244-H270 VanDerWaalsContact CE1-NE2 3.34Å; H244-H270 AromaticContact ND1-NE2 3.83Å; H244-H270 AromaticContact NE2-CE1 3.35Å; H244-H270 PolarHBondContact NE2-CE1 3.38Å; H244-H270 VanDerWaalsContact NE2-CE1 3.35Å; H244-H270 AromaticContact NE2-NE2 3.46Å; H244-H270 PolarHBondContact NE2-NE2 3.42Å; V266-H270 WeakPolarHBondContact CG1-CE1 3.34Å; V266-H270 WeakPolarHBondContact O-CB 3.5Å; V266-H270 VanDerWaalsContact O-CG 3.25Å; V266-H270 PolarHBondContact O-N 3.48Å; V266-H270 PolarHBondContact O-ND1 2.86Å; L267-H270 PolarHBondContact O-N 3.4Å; H268-H270 PolarHBondContact O-N 2.93Å
271C80.4Confident71.2Confident7 Ų766.1 Ų66.15%0.04735%0.352CS..Hα-helixtrans-78.7-22.3170.3-70.60000113.5V214 L267 H268 G273 D274 C292V214-C271 VanDerWaalsContact CG2-SG 3.57Å; L267-C271 WeakPolarHBondContact O-CB 3.29Å; L267-C271 PolarHBondContact O-N 2.84Å; L267-C271 PolarHBondContact O-SG 2.91Å; H268-C271 PolarHBondContact O-N 3.41Å; C271-G273 PolarHBondContact O-N 2.97Å; C271-G273 VanDerWaalsContact O-N 3.09Å; C271-D274 PolarHBondContact O-N 3.09Å; C271-C292 HydrophobicContact CB-CB 3.46Å; C271-C292 VanDerWaalsContact CB-CB 3.46Å
272K66.8Low68.7Low86 Ų8672 Ų7237%0.37438%0.376SS..G310 helixtrans-63.9-11.8-179.1-83.1176.3179.3-179.30114.5H268 R269 D274 C290H268-K272 WeakPolarHBondContact CE1-CE 3.39Å; H268-K272 VanDerWaalsContact NE2-CE 3.28Å; H268-K272 WeakPolarHBondContact NE2-CE 3.42Å; H268-K272 PolarHBondContact NE2-NZ 3.13Å; H268-K272 VanDerWaalsContact NE2-NZ 3.19Å; H268-K272 WeakPolarHBondContact O-CG 3.16Å; H268-K272 PolarHBondContact O-N 3.27Å; H268-K272 VanDerWaalsContact O-N 3.16Å; R269-K272 PolarHBondContact O-N 2.93Å; K272-D274 VanDerWaalsContact C-N 3.26Å; K272-D274 PolarHBondContact O-N 2.88Å; K272-C290 WeakPolarHBondContact CG-SG 3.24Å
273G54.1Low66.3Low40 Ų4080.1 Ų80.141%0.41241%0.409SS..G310 helixtrans-68-21.9168.500000114C271C271-G273 PolarHBondContact O-N 2.97Å; C271-G273 VanDerWaalsContact O-N 3.09Å
274D49Very low63.8Low54 Ų5485.3 Ų85.329%0.28944%0.44SS..G310 helixtrans-94.413.6-175-84.3-38.4000114H203 K204 C271 K272 I276H203-D274 IonicContact CE1-OD2 3.32Å; H203-D274 IonicContact CG-OD2 3.52Å; H203-D274 IonicContact ND1-OD2 3.7Å; H203-D274 PolarHBondContact ND1-OD2 3.47Å; K204-D274 PolarHBondContact N-OD1 3.38Å; K204-D274 PolarHBondContact N-OD2 2.86Å; C271-D274 PolarHBondContact O-N 3.09Å; K272-D274 VanDerWaalsContact C-N 3.26Å; K272-D274 PolarHBondContact O-N 2.88Å; D274-I276 PolarHBondContact O-N 3.48Å
275T48.6Very low61.2Low92 Ų9291.7 Ų91.756%0.56447%0.474SS*.  trans-58.9113.1177.546.10000110.3R277T275-R277 PolarHBondContact O-N 3.45Å; T275-R277 VanDerWaalsContact O-N 3.13Å
276I46.8Very low59Low155 Ų15593.7 Ų93.780%0.79549%0.485SS*.PPolyproline II helixtrans-51.6118.8169.7-60.2-179.5000107.3D274 D278D274-I276 PolarHBondContact O-N 3.48Å; I276-D278 PolarHBondContact O-N 3.46Å
277R43.3Very low57.1Low218 Ų21898.9 Ų98.982%0.82352%0.519SS*.PPolyproline II helixtrans-68.8124168.1-64.4178.9178.7-170.70.3106.7T275T275-R277 PolarHBondContact O-N 3.45Å; T275-R277 VanDerWaalsContact O-N 3.13Å
278D42Very low55.2Low99 Ų99103.8 Ų103.853%0.52955%0.545SS..PPolyproline II helixtrans-56.6155.1164.5-74.7-23.7000109.5I276 N280 G281I276-D278 PolarHBondContact O-N 3.46Å; D278-N280 PolarHBondContact O-N 2.97Å; D278-G281 PolarHBondContact O-N 3.3Å
279D46.8Very low53.8Low178 Ų178108.6 Ų108.695%0.95257%0.567SS**THydrogen-bonded Turntrans-52-15.9178.3-87.8-21.8000114
280N50.1Low53.1Low152 Ų152104.8 Ų104.881%0.81356%0.555SS**THydrogen-bonded Turntrans-100.77.3176.7-80.7-5.4000115.1D278 K282D278-N280 PolarHBondContact O-N 2.97Å; N280-K282 PolarHBondContact O-N 3.43Å
281G43.9Very low52.5Low57 Ų57109.9 Ų109.959%0.58858%0.583SS**  trans63.914173.400000115.9D278D278-G281 PolarHBondContact O-N 3.3Å
282K44.1Very low52.8Low172 Ų172110 Ų11075%0.74858%0.584SS**  trans-91.3117.8-177-129.3175.9-175.6177.70110.1N280 T284N280-K282 PolarHBondContact O-N 3.43Å; K282-T284 PolarHBondContact O-N 2.86Å
283K43.7Very low53.7Low179 Ų179106.7 Ų106.778%0.77857%0.57SS**  trans-62.9113.8171-67.4-176.1178.8-176.90108.8N285K283-N285 PolarHBondContact O-N 3.25Å
284T42.1Very low55.5Low113 Ų113104.8 Ų104.869%0.69355%0.55SS**  trans-73.578.716648.10000108.1K282 N286K282-T284 PolarHBondContact O-N 2.86Å; T284-N286 PolarHBondContact O-N 3.26Å
285N40.2Very low57.4Low136 Ų136103.1 Ų103.173%0.72754%0.541SS*.  trans-75.667.1174.3-83.9-1.2000109.8K283 P287K283-N285 PolarHBondContact O-N 3.25Å; N285-P287 WeakPolarHBondContact O-CD 3.4Å
286N48.2Very low59.3Low101 Ų101104 Ų10454%0.5454%0.539SS..  trans-93.4102.9155.4-157.7-1.5000107T284 N288 H289T284-N286 PolarHBondContact O-N 3.26Å; N286-N288 PolarHBondContact O-N 3.37Å; N286-H289 PolarHBondContact O-N 3.34Å
287P51.2Low61.4Low109 Ų10996.7 Ų96.771%0.70850%0.501SS*.THydrogen-bonded Turntrans-58.3-16.9-178.120.7-30.4000113.3N285N285-P287 WeakPolarHBondContact O-CD 3.4Å
288N51.7Low63.9Low105 Ų10586.3 Ų86.356%0.56146%0.462SS*.THydrogen-bonded Turntrans-94.66.7179.9-68.15.1000114.6N286N286-N288 PolarHBondContact O-N 3.37Å
289H61.3Low66.3Low119 Ų11982.5 Ų82.555%0.55144%0.443SS*.  trans-144.9104.1176.3-136.364000111.1N286N286-H289 PolarHBondContact O-N 3.34Å
290C72.6Confident68.5Low15 Ų1574.1 Ų74.110%0.10140%0.398CS..  trans-103144.9169.3-166.10000110H268 K272 C292 D295H268-C290 WeakPolarHBondContact CE1-CB 3.18Å; K272-C290 WeakPolarHBondContact CG-SG 3.24Å; C290-C292 VanDerWaalsContact C-N 3.25Å; C290-C292 PolarHBondContact O-N 3.43Å; C290-C292 PolarHBondContact SG-N 3.38Å; C290-D295 WeakPolarHBondContact CA-OD2 3.39Å; C290-D295 HydrophobicContact CB-CB 4.23Å; C290-D295 WeakPolarHBondContact CB-OD2 3.42Å; C290-D295 PolarHBondContact N-OD2 3.31Å; C290-D295 WeakPolarHBondContact O-CB 3.41Å
291N76.4Confident70.6Confident120 Ų12067.2 Ų67.264%0.64236%0.363SS*.  trans-90.318173-72.3-9.8000112.4Q296N291-Q296 PolarHBondContact O-NE2 3.27Å
292C85.1Confident73.1Confident10 Ų1065.6 Ų65.67%0.06834%0.341CS..SBendtrans-71.6162.3179750000111.8H268 C271 C290 I294 D295 Q296H268-C292 PolarHBondContact ND1-SG 3.5Å; C271-C292 HydrophobicContact CB-CB 3.46Å; C271-C292 VanDerWaalsContact CB-CB 3.46Å; C290-C292 VanDerWaalsContact C-N 3.25Å; C290-C292 PolarHBondContact O-N 3.43Å; C290-C292 PolarHBondContact SG-N 3.38Å; C292-I294 PolarHBondContact O-N 3.23Å; C292-D295 PolarHBondContact O-N 2.82Å; C292-D295 PolarHBondContact SG-N 3.14Å; C292-Q296 WeakPolarHBondContact O-CG 3.28Å; C292-Q296 PolarHBondContact O-N 2.76Å
293I87.4Confident75.6Confident16 Ų1658 Ų588%0.08231%0.308CS..Hα-helixtrans-59.9-31.3179.7-167.760.7000113L194 F197 I297L194-I293 HydrophobicContact CD2-CG1 3.99Å; L194-I293 HydrophobicContact CD2-CG2 4.46Å; F197-I293 HydrophobicContact CB-CD1 3.83Å; F197-I293 HydrophobicContact CB-CG1 3.79Å; F197-I293 HydrophobicContact CD1-CB 4.1Å; F197-I293 HydrophobicContact CD1-CG1 3.96Å; F197-I293 HydrophobicContact CD1-CG2 3.92Å; F197-I293 HydrophobicContact CD2-CB 3.91Å; F197-I293 HydrophobicContact CD2-CD1 3.76Å; F197-I293 HydrophobicContact CD2-CG1 3.78Å; F197-I293 HydrophobicContact CE1-CB 4.16Å; F197-I293 HydrophobicContact CE1-CG2 3.78Å; F197-I293 HydrophobicContact CE2-CB 3.96Å; F197-I293 HydrophobicContact CE2-CG1 4.36Å; F197-I293 HydrophobicContact CE2-CG2 4.43Å; F197-I293 HydrophobicContact CG-CB 3.99Å; F197-I293 HydrophobicContact CG-CD1 3.87Å; F197-I293 HydrophobicContact CG-CG1 3.56Å; F197-I293 HydrophobicContact CG-CG2 4.33Å; F197-I293 HydrophobicContact CZ-CB 4.09Å; F197-I293 HydrophobicContact CZ-CG2 4.05Å; I293-I297 HydrophobicContact CD1-CD1 3.63Å; I293-I297 HydrophobicContact CD1-CG1 4.11Å; I293-I297 HydrophobicContact CG1-CD1 3.64Å; I293-I297 HydrophobicContact CG1-CG1 4.4Å; I293-I297 WeakPolarHBondContact O-CB 3.26Å; I293-I297 VanDerWaalsContact O-CG1 3.26Å; I293-I297 WeakPolarHBondContact O-CG1 3.39Å; I293-I297 PolarHBondContact O-N 3.39Å; I293-I297 VanDerWaalsContact O-N 3.12Å
294I91Very high78Confident0 Ų050 Ų500%027%0.274CS..Hα-helixtrans-68.1-47.9177.5-56.3-53.7000110.5L194 L264 L267 H268 C292 Q296 I297 F298L194-I294 HydrophobicContact CD2-CD1 4.28Å; L264-I294 HydrophobicContact CB-CG2 4.24Å; L264-I294 HydrophobicContact CD2-CD1 4.11Å; L264-I294 HydrophobicContact CD2-CG2 4.12Å; L267-I294 HydrophobicContact CB-CD1 3.85Å; L267-I294 HydrophobicContact CB-CG1 3.7Å; L267-I294 HydrophobicContact CD1-CD1 3.98Å; H268-I294 HydrophobicContact CB-CB 4.43Å; H268-I294 HydrophobicContact CB-CG2 4.47Å; C292-I294 PolarHBondContact O-N 3.23Å; I294-Q296 VanDerWaalsContact C-N 3.33Å; I294-Q296 PolarHBondContact O-N 3.01Å; I294-I297 PolarHBondContact O-N 2.93Å; I294-F298 HydrophobicContact CG2-CD2 4.36Å; I294-F298 PolarHBondContact O-N 2.89Å
295D89.1Confident80.5Confident19 Ų1944.9 Ų44.910%0.10224%0.243CC..Hα-helixtrans-66.2-35.3177.9-94.610000112.5H268 C290 C292 I297 T299H268-D295 IonicContact CE1-OD1 2.74Å; H268-D295 PolarHBondContact CE1-OD1 3.06Å; H268-D295 IonicContact CE1-OD2 2.76Å; H268-D295 PolarHBondContact CE1-OD2 2.98Å; H268-D295 IonicContact ND1-OD1 2.79Å; C290-D295 WeakPolarHBondContact CA-OD2 3.39Å; C290-D295 HydrophobicContact CB-CB 4.23Å; C290-D295 WeakPolarHBondContact CB-OD2 3.42Å; C290-D295 PolarHBondContact N-OD2 3.31Å; C290-D295 WeakPolarHBondContact O-CB 3.41Å; C292-D295 PolarHBondContact O-N 2.82Å; C292-D295 PolarHBondContact SG-N 3.14Å; D295-I297 VanDerWaalsContact C-N 3.32Å; D295-I297 PolarHBondContact O-N 2.72Å; D295-T299 WeakPolarHBondContact CA-OG1 3.3Å; D295-T299 VanDerWaalsContact O-CB 3.29Å; D295-T299 WeakPolarHBondContact O-CB 3.31Å; D295-T299 PolarHBondContact O-N 3.31Å; D295-T299 PolarHBondContact OD1-OG1 2.89Å
296Q88.3Confident83.1Confident111 Ų11139.9 Ų39.952%0.51922%0.217SC..Hα-helixtrans-66.3-34.8175.9-70179.123.400112.5N291 C292 I294 I400N291-Q296 PolarHBondContact O-NE2 3.27Å; C292-Q296 WeakPolarHBondContact O-CG 3.28Å; C292-Q296 PolarHBondContact O-N 2.76Å; I294-Q296 VanDerWaalsContact C-N 3.33Å; I294-Q296 PolarHBondContact O-N 3.01Å; Q296-I400 VanDerWaalsContact O-CD1 3.29Å; Q296-I400 WeakPolarHBondContact O-CD1 3.42Å
297I91.8Very high85.3Confident1 Ų136.4 Ų36.41%0.00520%0.2CC..Hα-helixtrans-94-49.3-173.1-66.3173.1000112.4T191 L193 L194 I293 I294 D295 I400 V401T191-I297 HydrophobicContact CG2-CG2 4.38Å; L193-I297 HydrophobicContact CB-CD1 3.48Å; L193-I297 VanDerWaalsContact CB-CD1 3.48Å; L193-I297 HydrophobicContact CB-CG1 3.97Å; L193-I297 HydrophobicContact CD1-CD1 4.49Å; L193-I297 HydrophobicContact CD1-CG1 4.06Å; L194-I297 HydrophobicContact CD2-CD1 3.53Å; L194-I297 HydrophobicContact CG-CD1 3.87Å; I293-I297 HydrophobicContact CD1-CD1 3.63Å; I293-I297 HydrophobicContact CD1-CG1 4.11Å; I293-I297 HydrophobicContact CG1-CD1 3.64Å; I293-I297 HydrophobicContact CG1-CG1 4.4Å; I293-I297 WeakPolarHBondContact O-CB 3.26Å; I293-I297 VanDerWaalsContact O-CG1 3.26Å; I293-I297 WeakPolarHBondContact O-CG1 3.39Å; I293-I297 PolarHBondContact O-N 3.39Å; I293-I297 VanDerWaalsContact O-N 3.12Å; I294-I297 PolarHBondContact O-N 2.93Å; D295-I297 VanDerWaalsContact C-N 3.32Å; D295-I297 PolarHBondContact O-N 2.72Å; I297-I400 WeakPolarHBondContact O-CA 3.46Å; I297-I400 PolarHBondContact O-N 2.92Å; I297-V401 HydrophobicContact CG2-CB 3.75Å; I297-V401 HydrophobicContact CG2-CG2 3.53Å; I297-V401 PolarHBondContact O-N 2.97Å
298F94.4Very high87.3Confident1 Ų131.4 Ų31.40%0.00417%0.167CC..Hα-helixtrans-104.9-16.8-166.9-65.2-83.2000113.7L188 T191 L194 L264 I294 G300 P399 V401L188-F298 HydrophobicContact CD2-CZ 3.97Å; T191-F298 HydrophobicContact CG2-CZ 4.44Å; L194-F298 HydrophobicContact CD1-CE2 3.92Å; L194-F298 HydrophobicContact CD1-CZ 4.06Å; L194-F298 HydrophobicContact CD2-CE2 4.32Å; L194-F298 HydrophobicContact CG-CE2 4.28Å; L264-F298 HydrophobicContact CD1-CG 4.42Å; L264-F298 HydrophobicContact CD2-CD2 4.02Å; L264-F298 HydrophobicContact CD2-CE2 4.05Å; L264-F298 HydrophobicContact CD2-CG 4.45Å; L264-F298 HydrophobicContact CD2-CZ 4.49Å; I294-F298 HydrophobicContact CG2-CD2 4.36Å; I294-F298 PolarHBondContact O-N 2.89Å; F298-G300 PolarHBondContact O-N 2.83Å; F298-P399 VanDerWaalsContact O-CB 3.27Å; F298-P399 WeakPolarHBondContact O-CB 3.29Å; F298-V401 HydrophobicContact CD1-CB 3.99Å; F298-V401 HydrophobicContact CD1-CG1 3.96Å; F298-V401 HydrophobicContact CE1-CB 3.79Å; F298-V401 HydrophobicContact CE1-CG1 3.45Å; F298-V401 VanDerWaalsContact CE1-CG1 3.45Å; F298-V401 HydrophobicContact CZ-CB 4.4Å; F298-V401 HydrophobicContact CZ-CG1 4.26Å
299T93.8Very high89.3Confident19 Ų1930.2 Ų30.212%0.11716%0.158CC..  trans-81.6110.8-175.9-61.30000112D295 P320 F321 W322D295-T299 WeakPolarHBondContact CA-OG1 3.3Å; D295-T299 VanDerWaalsContact O-CB 3.29Å; D295-T299 WeakPolarHBondContact O-CB 3.31Å; D295-T299 PolarHBondContact O-N 3.31Å; D295-T299 PolarHBondContact OD1-OG1 2.89Å; T299-P320 HydrophobicContact CG2-CB 3.93Å; T299-F321 WeakPolarHBondContact CA-O 3.39Å; T299-W322 PolarHBondContact OG1-NE1 3.23Å
300G93.3Very high90.8Very high2 Ų228.7 Ų28.72%0.02116%0.157CC..EExtended strand (participates in β ladder)trans-94.117916500000112F298 P320 F321 K397F298-G300 PolarHBondContact O-N 2.83Å; G300-P320 WeakPolarHBondContact O-CA 3.46Å; G300-F321 PolarHBondContact N-O 2.82Å; G300-F321 PolarHBondContact O-N 3.04Å; G300-K397 CarbonylContact C-O 3.57Å; G300-K397 WeakPolarHBondContact CA-O 3.37Å
301G93.9Very high91.7Very high7 Ų730.6 Ų30.67%0.07217%0.17CC..EExtended strand (participates in β ladder)trans-130.8118173.600000110.4K396 K397G301-K396 WeakPolarHBondContact O-CA 3.44Å; G301-K396 WeakPolarHBondContact O-CB 3.33Å; G301-K396 PolarHBondContact O-N 2.74Å; G301-K397 PolarHBondContact N-O 2.74Å; G301-K397 PolarHBondContact O-N 3.46Å
302L95.2Very high92.4Very high22 Ų2230.9 Ų30.912%0.11517%0.167CC..EExtended strand (participates in β ladder)trans-95.9124179-169.771.3000109.3I318 D319 F321 F366 L393 T394 M395L302-I318 CarbonylContact O-C 3.55Å; L302-I318 VanDerWaalsContact O-CA 3.32Å; L302-I318 WeakPolarHBondContact O-CA 3.32Å; L302-D319 PolarHBondContact N-O 2.67Å; L302-D319 PolarHBondContact O-N 2.86Å; L302-F321 HydrophobicContact CB-CD1 3.77Å; L302-F321 HydrophobicContact CB-CE1 4.09Å; L302-F366 HydrophobicContact CD1-CE1 3.74Å; L302-F366 HydrophobicContact CD1-CZ 4.09Å; L302-F366 HydrophobicContact CD2-CE1 4.5Å; L302-F366 HydrophobicContact CD2-CZ 4.04Å; L302-L393 HydrophobicContact CD1-CB 4.27Å; L302-L393 HydrophobicContact CD2-CB 4.37Å; L302-L393 HydrophobicContact CD2-CD1 4.16Å; L302-L393 HydrophobicContact CD2-CD2 3.97Å; L302-L393 HydrophobicContact CD2-CG 4.39Å; L302-L393 HydrophobicContact CG-CB 4.42Å; L302-L393 HydrophobicContact CG-CD2 4.35Å; L302-T394 WeakPolarHBondContact CD1-O 3.49Å; L302-M395 HydrophobicContact CD1-CE 4.18Å; L302-M395 HydrophobicContact CD1-SD 3.82Å
303Q96.2Very high92.7Very high12 Ų1232.2 Ų32.26%0.05618%0.182CC..EExtended strand (participates in β ladder)trans-90.2118.2174.5-171.1173.6-57.300109.9D305 T316 T317 L393 T394 K396 A436Q303-D305 PolarHBondContact NE2-OD1 2.92Å; Q303-D305 PolarHBondContact NE2-OD2 2.86Å; Q303-T316 HydrophobicContact CG-CG2 3.4Å; Q303-T317 CarbonylContact C-O 3.57Å; Q303-T317 WeakPolarHBondContact CA-O 3.36Å; Q303-L393 CarbonylContact O-C 3.57Å; Q303-L393 WeakPolarHBondContact O-CA 3.25Å; Q303-T394 PolarHBondContact N-O 2.9Å; Q303-T394 PolarHBondContact O-N 3.09Å; Q303-K396 HydrophobicContact CB-CB 4.18Å; Q303-A436 HydrophobicContact CB-CB 4.47Å
304S95.4Very high93Very high11 Ų1135.3 Ų35.38%0.07720%0.202CC..EExtended strand (participates in β ladder)trans-101109170.71760000109.8T316 T317 K391 Q392S304-T316 WeakPolarHBondContact O-CA 3.33Å; S304-T317 PolarHBondContact N-O 2.99Å; S304-T317 PolarHBondContact O-N 2.75Å; S304-K391 WeakPolarHBondContact OG-CE 3.27Å; S304-Q392 WeakPolarHBondContact CA-O 3.33Å
305D94.9Very high93Very high6 Ų638.8 Ų38.83%0.03223%0.227CC..EExtended strand (participates in β ladder)trans-97.7128.4173.6-68.5-21.4000110.3Q303 V314 S315 T316 K391 Q392 K439Q303-D305 PolarHBondContact NE2-OD1 2.92Å; Q303-D305 PolarHBondContact NE2-OD2 2.86Å; D305-V314 HydrophobicContact CB-CG1 4Å; D305-S315 CarbonylContact C-O 3.58Å; D305-S315 WeakPolarHBondContact CA-O 3.28Å; D305-T316 WeakPolarHBondContact OD1-CB 3.22Å; D305-T316 WeakPolarHBondContact OD1-CG2 3.41Å; D305-T316 PolarHBondContact OD1-OG1 2.87Å; D305-K391 CarbonylContact O-C 3.47Å; D305-K391 WeakPolarHBondContact O-CA 3.42Å; D305-Q392 PolarHBondContact N-O 3Å; D305-Q392 PolarHBondContact O-N 2.72Å; D305-K439 IonicContact OD2-NZ 3.13Å; D305-K439 PolarHBondContact OD2-NZ 2.99Å
306V94.3Very high93.3Very high31 Ų3141.2 Ų41.219%0.18824%0.242CC..EExtended strand (participates in β ladder)trans-110.6114.3169.3178.50000108.4V314 S315 I378 T390 K391V306-V314 WeakPolarHBondContact O-CA 3.27Å; V306-S315 PolarHBondContact N-O 2.76Å; V306-S315 PolarHBondContact O-N 2.9Å; V306-I378 HydrophobicContact CG1-CD1 3.62Å; V306-T390 CarbonylContact C-O 3.56Å; V306-T390 WeakPolarHBondContact CA-O 3.49Å; V306-K391 HydrophobicContact CG2-CG 4.45Å
307T94.3Very high93.6Very high29 Ų2939.4 Ų39.418%0.17824%0.239CC..EExtended strand (participates in β ladder)trans-107.6120.2-178.4-52.40000110.3V314 S389 T390T307-V314 HydrophobicContact CG2-CG2 4.15Å; T307-S389 CarbonylContact O-C 3.55Å; T307-S389 WeakPolarHBondContact O-CA 3.44Å; T307-S389 WeakPolarHBondContact O-CB 3.42Å; T307-T390 PolarHBondContact N-O 2.89Å; T307-T390 PolarHBondContact O-N 3.08Å
308C93.6Very high93.6Very high4 Ų443.6 Ų43.63%0.02726%0.26CS..EExtended strand (participates in β ladder)trans-65.2132.4173.5179.90000110.5V310 H312 G313C308-V310 VanDerWaalsContact C-N 3.28Å; C308-V310 PolarHBondContact O-N 3.4Å; C308-V310 PolarHBondContact SG-N 2.92Å; C308-H312 WeakPolarHBondContact O-CA 3.41Å; C308-H312 PolarHBondContact O-N 2.91Å; C308-H312 VanDerWaalsContact O-N 3.07Å; C308-G313 PolarHBondContact N-O 2.85Å
309Q92.9Very high93.5Very high79 Ų7947.4 Ų47.437%0.36928%0.28SS..THydrogen-bonded Turntrans-77.6-13-179.9-66.8-61.3-51.400113.9E388 T390Q309-E388 WeakPolarHBondContact CB-O 3.5Å; Q309-E388 WeakPolarHBondContact CG-O 3.29Å; Q309-E388 PolarHBondContact N-O 3.5Å; Q309-T390 PolarHBondContact NE2-OG1 3.21Å; Q309-T390 VanDerWaalsContact NE2-OG1 3.09Å
310V92.5Very high93.5Very high88 Ų8850 Ų5053%0.53330%0.298SS..THydrogen-bonded Turntrans-96.1-54.5-179.1178.60000112.2C308 Q387C308-V310 VanDerWaalsContact C-N 3.28Å; C308-V310 PolarHBondContact O-N 3.4Å; C308-V310 PolarHBondContact SG-N 2.92Å; V310-Q387 HydrophobicContact CG2-CG 4.29Å
311C91.8Very high93.5Very high54 Ų5451 Ų5137%0.36530%0.302SS..THydrogen-bonded Turntrans-100-3.7-177.669.10000114G313 C380 C383C311-G313 PolarHBondContact O-N 2.81Å; C311-G313 PolarHBondContact SG-N 2.88Å; C311-C380 PolarHBondContact SG-SG 2.69Å; C311-C383 VanDerWaalsContact CB-SG 3.55Å
312H92Very high93.6Very high127 Ų12752.8 Ų52.859%0.58831%0.306SS*.  trans58.212.4-176.1-51.7-56.9000115.3C308 V314C308-H312 WeakPolarHBondContact O-CA 3.41Å; C308-H312 PolarHBondContact O-N 2.91Å; C308-H312 VanDerWaalsContact O-N 3.07Å; H312-V314 PolarHBondContact O-N 2.77Å
313G91.1Very high93.6Very high37 Ų3753.1 Ų53.138%0.38131%0.308SS..  trans-61.3133.1171.300000111C308 C311C308-G313 PolarHBondContact N-O 2.85Å; C311-G313 PolarHBondContact O-N 2.81Å; C311-G313 PolarHBondContact SG-N 2.88Å
314V92.4Very high93.7Very high81 Ų8152.9 Ų52.949%0.49131%0.307SS..EExtended strand (participates in β ladder)trans-106.6129.6-179.4-173.80000109.6D305 V306 T307 H312D305-V314 HydrophobicContact CB-CG1 4Å; V306-V314 WeakPolarHBondContact O-CA 3.27Å; T307-V314 HydrophobicContact CG2-CG2 4.15Å; H312-V314 PolarHBondContact O-N 2.77Å
315S92.7Very high93.7Very high74 Ų7453.6 Ų53.652%0.51731%0.312SS..EExtended strand (participates in β ladder)trans-108.1124.5166.9-176.70000108.8D305 V306D305-S315 CarbonylContact C-O 3.58Å; D305-S315 WeakPolarHBondContact CA-O 3.28Å; V306-S315 PolarHBondContact N-O 2.76Å; V306-S315 PolarHBondContact O-N 2.9Å
316T94Very high93.8Very high70 Ų7053.3 Ų53.343%0.42931%0.311SS..EExtended strand (participates in β ladder)trans-115133-175.6-62.70000110.3Q303 S304 D305Q303-T316 HydrophobicContact CG-CG2 3.4Å; S304-T316 WeakPolarHBondContact O-CA 3.33Å; D305-T316 WeakPolarHBondContact OD1-CB 3.22Å; D305-T316 WeakPolarHBondContact OD1-CG2 3.41Å; D305-T316 PolarHBondContact OD1-OG1 2.87Å
317T94.4Very high93.6Very high73 Ų7355.3 Ų55.345%0.44832%0.32SS..EExtended strand (participates in β ladder)trans-126143.9171.6-55.90000109.2Q303 S304Q303-T317 CarbonylContact C-O 3.57Å; Q303-T317 WeakPolarHBondContact CA-O 3.36Å; S304-T317 PolarHBondContact N-O 2.99Å; S304-T317 PolarHBondContact O-N 2.75Å
318I93.3Very high93.3Very high89 Ų8954 Ų5446%0.45631%0.313SS..EExtended strand (participates in β ladder)trans-116115.3178.2-59.7166.7000108.2L302 K396L302-I318 CarbonylContact O-C 3.55Å; L302-I318 VanDerWaalsContact O-CA 3.32Å; L302-I318 WeakPolarHBondContact O-CA 3.32Å; I318-K396 HydrophobicContact CD1-CG 4.08Å; I318-K396 HydrophobicContact CG1-CG 4.49Å
319D91.6Very high92.6Very high80 Ų8054.6 Ų54.643%0.42832%0.316SS..EExtended strand (participates in β ladder)trans-108.9128.6-178.2-61.5-48.1000110.2L302L302-D319 PolarHBondContact N-O 2.67Å; L302-D319 PolarHBondContact O-N 2.86Å
320P93Very high91.3Very high74 Ų7453.2 Ų53.248%0.48132%0.323SS..EExtended strand (participates in β ladder)trans-69.9149173.830-33.7000110.9T299 G300T299-P320 HydrophobicContact CG2-CB 3.93Å; G300-P320 WeakPolarHBondContact O-CA 3.46Å
321F94.1Very high89.9Confident24 Ų2450.2 Ų50.211%0.10531%0.306CS..EExtended strand (participates in β ladder)trans-144.8154.117669.6-93.6000111.6T299 G300 L302 D323 I324 M395 P399T299-F321 WeakPolarHBondContact CA-O 3.39Å; G300-F321 PolarHBondContact N-O 2.82Å; G300-F321 PolarHBondContact O-N 3.04Å; L302-F321 HydrophobicContact CB-CD1 3.77Å; L302-F321 HydrophobicContact CB-CE1 4.09Å; F321-D323 WeakPolarHBondContact CD2-O 3.36Å; F321-I324 HydrophobicContact CD2-CG1 3.99Å; F321-I324 HydrophobicContact CE2-CD1 3.81Å; F321-I324 HydrophobicContact CE2-CG1 3.59Å; F321-I324 HydrophobicContact CZ-CD1 4.03Å; F321-I324 HydrophobicContact CZ-CG1 4.11Å; F321-M395 HydrophobicContact CE1-SD 4.18Å; F321-M395 HydrophobicContact CZ-SD 4.04Å; F321-P399 HydrophobicContact CE2-CG 4.31Å
322W95.2Very high88.1Confident43 Ų4352.1 Ų52.116%0.16332%0.32CS..SBendtrans-105.3-21.5171-65.5-23.7000113.4I261 L264 D265 H268 T299I261-W322 HydrophobicContact CG2-CE3 4.38Å; I261-W322 HydrophobicContact CG2-CZ3 4.47Å; L264-W322 HydrophobicContact CB-CD2 4.25Å; L264-W322 HydrophobicContact CB-CE3 3.67Å; L264-W322 HydrophobicContact CB-CZ3 3.86Å; L264-W322 HydrophobicContact CD1-CB 4.16Å; L264-W322 HydrophobicContact CD1-CD2 4.46Å; L264-W322 HydrophobicContact CD1-CE3 4.29Å; L264-W322 HydrophobicContact CD1-CG 4.44Å; D265-W322 VanDerWaalsContact CA-CH2 3.44Å; D265-W322 HydrophobicContact CB-CH2 3.83Å; D265-W322 HydrophobicContact CB-CZ3 3.77Å; H268-W322 HydrophobicContact CB-CH2 4.33Å; H268-W322 HydrophobicContact CB-CZ2 4.17Å; H268-W322 AromaticContact CD2-CZ2 3.97Å; T299-W322 PolarHBondContact OG1-NE1 3.23Å
323D96.8Very high86.5Confident30 Ų3049.5 Ų49.516%0.1631%0.313CS..  trans-141.8164.8177.376-73.6000111.7H257 I261 F321 S325 C403H257-D323 IonicContact CD2-OD2 3.85Å; H257-D323 IonicContact CE1-OD2 3.96Å; H257-D323 IonicContact NE2-OD1 2.81Å; H257-D323 IonicContact NE2-OD2 3.47Å; H257-D323 PolarHBondContact NE2-OD2 2.95Å; I261-D323 HydrophobicContact CD1-CB 4.36Å; I261-D323 WeakPolarHBondContact CD1-OD1 3.37Å; F321-D323 WeakPolarHBondContact CD2-O 3.36Å; D323-S325 PolarHBondContact OD2-OG 3.36Å; D323-C403 CarbonylContact C-O 3.59Å; D323-C403 VanDerWaalsContact CA-O 3.29Å; D323-C403 WeakPolarHBondContact CA-O 3.35Å; D323-C403 HydrophobicContact CB-CB 4.1Å
324I97.1Very high84.5Confident6 Ų652.1 Ų52.13%0.03132%0.323CS..EExtended strand (participates in β ladder)trans-119.2106.5172-60.3158.3000107.6F321 L326 F366 M395 C403 F404 H405F321-I324 HydrophobicContact CD2-CG1 3.99Å; F321-I324 HydrophobicContact CE2-CD1 3.81Å; F321-I324 HydrophobicContact CE2-CG1 3.59Å; F321-I324 HydrophobicContact CZ-CD1 4.03Å; F321-I324 HydrophobicContact CZ-CG1 4.11Å; I324-L326 HydrophobicContact CG2-CD2 3.67Å; I324-L326 HydrophobicContact CG2-CG 4.14Å; I324-F366 HydrophobicContact CG2-CD1 4.2Å; I324-F366 HydrophobicContact CG2-CD2 4.33Å; I324-F366 HydrophobicContact CG2-CE1 3.99Å; I324-F366 HydrophobicContact CG2-CE2 4.13Å; I324-F366 HydrophobicContact CG2-CG 4.37Å; I324-F366 HydrophobicContact CG2-CZ 3.96Å; I324-M395 HydrophobicContact CD1-CE 3.38Å; I324-M395 HydrophobicContact CD1-SD 4.07Å; I324-M395 HydrophobicContact CG1-CE 4.06Å; I324-M395 HydrophobicContact CG2-CE 4.44Å; I324-C403 PolarHBondContact N-O 2.67Å; I324-F404 HydrophobicContact CB-CD1 3.92Å; I324-F404 HydrophobicContact CB-CE1 4.23Å; I324-F404 HydrophobicContact CD1-CD1 4.14Å; I324-F404 HydrophobicContact CD1-CE1 3.57Å; I324-F404 HydrophobicContact CD1-CZ 4.4Å; I324-F404 HydrophobicContact CG1-CE1 4.5Å; I324-F404 HydrophobicContact CG2-CD1 4.32Å; I324-F404 WeakPolarHBondContact O-CA 3.47Å; I324-H405 PolarHBondContact O-N 2.91Å
325S96.6Very high82.5Confident27 Ų2753.8 Ų53.819%0.18932%0.324CS..EExtended strand (participates in β ladder)trans-87.2112.3178.1-70.10000111.1D323 H405 K407D323-S325 PolarHBondContact OD2-OG 3.36Å; S325-H405 CarbonylContact C-O 3.54Å; S325-H405 WeakPolarHBondContact CA-O 3.39Å; S325-H405 PolarHBondContact OG-ND1 3.1Å; S325-K407 VanDerWaalsContact CB-CE 3.45Å; S325-K407 WeakPolarHBondContact O-CE 3.45Å
326L95.3Very high80.2Confident0 Ų058.9 Ų58.90%033%0.332CS..EExtended strand (participates in β ladder)trans-102.7130.5-170.8-62174000112.2I324 L359 C362 L363 F366 F404 H405 L406 K407I324-L326 HydrophobicContact CG2-CD2 3.67Å; I324-L326 HydrophobicContact CG2-CG 4.14Å; L326-L359 HydrophobicContact CD1-CD1 3.44Å; L326-L359 VanDerWaalsContact CD1-CD1 3.44Å; L326-C362 HydrophobicContact CB-CB 4.16Å; L326-C362 HydrophobicContact CD1-CB 3.98Å; L326-C362 HydrophobicContact CG-CB 4.47Å; L326-L363 HydrophobicContact CD1-CD2 4.22Å; L326-L363 HydrophobicContact CD1-CG 4.25Å; L326-L363 HydrophobicContact CD2-CD2 3.97Å; L326-L363 HydrophobicContact CD2-CG 4.47Å; L326-F366 HydrophobicContact CD2-CB 3.7Å; L326-F366 HydrophobicContact CD2-CD2 4.12Å; L326-F366 HydrophobicContact CD2-CG 3.94Å; L326-F404 HydrophobicContact CD1-CB 4.34Å; L326-F404 HydrophobicContact CD1-CD1 4.07Å; L326-H405 PolarHBondContact N-O 2.88Å; L326-L406 HydrophobicContact CB-CD2 4.17Å; L326-L406 HydrophobicContact CD1-CD2 4.02Å; L326-K407 WeakPolarHBondContact O-CB 3.45Å; L326-K407 PolarHBondContact O-N 2.85Å
327D91.1Very high77.6Confident72 Ų7260 Ų6039%0.38534%0.341SS..  trans-75145.5173.4-55.4-49.8000111.3K407D327-K407 WeakPolarHBondContact OD1-CD 3.48Å; D327-K407 IonicContact OD1-NZ 2.64Å; D327-K407 PolarHBondContact OD1-NZ 3.2Å; D327-K407 IonicContact OD2-NZ 3.65Å
328L88.8Confident75.1Confident3 Ų361.2 Ų61.22%0.01634%0.343CS..  trans-109.8150.7-174.3-62.4-172.8000112.5G330 S331 L406 R408 I419 V423L328-G330 PolarHBondContact O-N 2.86Å; L328-S331 WeakPolarHBondContact O-CB 3.43Å; L328-S331 PolarHBondContact O-N 3.21Å; L328-S331 VanDerWaalsContact O-N 3.09Å; L328-S331 PolarHBondContact O-OG 3.14Å; L328-L406 HydrophobicContact CD1-CB 4.24Å; L328-L406 HydrophobicContact CD2-CB 4.18Å; L328-L406 HydrophobicContact CD2-CD2 4.18Å; L328-R408 HydrophobicContact CD1-CG 3.66Å; L328-I419 HydrophobicContact CB-CD1 4.26Å; L328-I419 HydrophobicContact CB-CG2 4.05Å; L328-I419 HydrophobicContact CD1-CB 4.39Å; L328-I419 HydrophobicContact CD1-CG2 4.05Å; L328-V423 HydrophobicContact CD1-CG2 4.46Å; L328-V423 HydrophobicContact CD2-CG2 3.73Å
329P77.4Confident72.4Confident16 Ų1661.5 Ų61.510%0.10435%0.354CS..THydrogen-bonded Turntrans-54.8132.6170.3-7.814.1000111F335 T357 T421P329-F335 HydrophobicContact CB-CD2 4.2Å; P329-F335 HydrophobicContact CB-CE2 3.64Å; P329-F335 HydrophobicContact CB-CZ 4.35Å; P329-F335 HydrophobicContact CG-CE2 4.05Å; P329-T357 HydrophobicContact CG-CG2 3.52Å; P329-T357 WeakPolarHBondContact CG-OG1 3.35Å; P329-T421 HydrophobicContact CG-CG2 4.35Å; P329-T421 PolarHBondContact O-OG1 3.26Å
330G65.8Low69.8Low49 Ų4964.5 Ų64.551%0.50538%0.378SS..THydrogen-bonded Turntrans97.8-9-175.600000113.8L328 R417L328-G330 PolarHBondContact O-N 2.86Å; G330-R417 PolarHBondContact O-NH2 3.49Å
331S63Low67Low25 Ų2564.8 Ų64.818%0.17539%0.394CS..SBendtrans-60.3158.5167.355.20000111.7L328 T333L328-S331 WeakPolarHBondContact O-CB 3.43Å; L328-S331 PolarHBondContact O-N 3.21Å; L328-S331 VanDerWaalsContact O-N 3.09Å; L328-S331 PolarHBondContact O-OG 3.14Å; S331-T333 PolarHBondContact O-N 3.38Å; S331-T333 PolarHBondContact OG-OG1 2.89Å
332S55.3Low64Low94 Ų9467.2 Ų67.266%0.65743%0.426SS*.SBendtrans-66.2-1.1178.361.30000114.2E410S332-E410 VanDerWaalsContact CB-OE1 3.28Å; S332-E410 WeakPolarHBondContact CB-OE1 3.35Å; S332-E410 PolarHBondContact N-OE1 3.18Å; S332-E410 PolarHBondContact OG-OE1 2.96Å; S332-E410 VanDerWaalsContact OG-OE1 3.05Å
333T56.8Low60.9Low72 Ų7273.5 Ų73.544%0.44246%0.462SS..SBendtrans-77.2128.7171.250.90000109.6S331 F335S331-T333 PolarHBondContact O-N 3.38Å; S331-T333 PolarHBondContact OG-OG1 2.89Å; T333-F335 PolarHBondContact O-N 3.33Å
334P49.8Very low57.8Low93 Ų9375 Ų7560%0.60449%0.486SS*.  trans-59.7116-176.319.3-29.1000111.1W336P334-W336 VanDerWaalsContact C-N 3.34Å; P334-W336 PolarHBondContact O-N 3Å
335F49.6Very low54.5Low115 Ų11580 Ų8050%0.50452%0.52SS..  trans-7783.8178.7-166.8-89.3000109.5P329 T333 R365P329-F335 HydrophobicContact CB-CD2 4.2Å; P329-F335 HydrophobicContact CB-CE2 3.64Å; P329-F335 HydrophobicContact CB-CZ 4.35Å; P329-F335 HydrophobicContact CG-CE2 4.05Å; T333-F335 PolarHBondContact O-N 3.33Å; F335-R365 VanDerWaalsContact CE2-NH2 3.27Å
336W45.4Very low51.8Low182 Ų18285.7 Ų85.769%0.68956%0.555SS**  trans-72.1124.8173.6-68.8102.6000110.2P334 R368P334-W336 VanDerWaalsContact C-N 3.34Å; P334-W336 PolarHBondContact O-N 3Å; W336-R368 PolarHBondContact O-NH1 3.5Å
337P39.6Very low48.7Very low94 Ų9491.9 Ų91.961%0.6159%0.592SS**  trans-59.9146-178.722.2-30.5000111.3S339P337-S339 PolarHBondContact O-N 3.03Å
338L41.8Very low45.8Very low97 Ų9796 Ų9651%0.50861%0.614SS.*SBendtrans-73.475.2175.6-69.9161.3000109.1
339S35.1Very low43.4Very low96 Ų9699.6 Ų99.667%0.67165%0.651SS**  trans159.8132.9154-74.20000111.1P337P337-S339 PolarHBondContact O-N 3.03Å
340P37.3Very low41.2Very low143 Ų143107.6 Ų107.693%0.92969%0.687SS**SBendtrans-85.2104.1160.929.7-21.1000108.4
341G34.8Very low39.9Very low80 Ų80110.2 Ų110.283%0.82570%0.698SS**  trans165.410.4176.500000118
342G30.2Very low38.5Very low75 Ų75118.1 Ų118.177%0.77373%0.732SS**  trans-105.7115170.100000110
343D31.3Very low38.1Very low174 Ų174121.6 Ų121.693%0.9374%0.742SS**  trans-55.6140175.1-104.5-26.2000112.8
344G31.9Very low37.5Very low63 Ų63123.6 Ų123.665%0.64976%0.759SS**  trans96.1121137.400000119.6
345S27.7Very low37.8Very low109 Ų109122.6 Ų122.676%0.76277%0.766SS**  trans87.9111.8133.9-56.90000119.3V347S345-V347 PolarHBondContact O-N 3.49Å
346T38.8Very low39.1Very low148 Ų148121 Ų12191%0.90877%0.769SS**  trans-53.4111.3155.444.50000110.9
347V30.6Very low41.2Very low130 Ų130113.1 Ų113.179%0.78874%0.741SS**  trans-141139.3159.2-152.60000109.7S345S345-V347 PolarHBondContact O-N 3.49Å
348N30.3Very low43.9Very low159 Ų159110.5 Ų110.585%0.8572%0.724SS**  trans-54.4160.6-176.2-71.6-40.1000114.3E350N348-E350 PolarHBondContact O-N 3.25Å
349G39.2Very low46.4Very low77 Ų77105.9 Ų105.979%0.79470%0.699SS**  trans-50.8126.9-172.600000114.8
350E30.9Very low49.3Very low184 Ų184103.5 Ų103.586%0.8668%0.681SS**  trans-172.5133.2134-103.6174.4172.100108.3N348N348-E350 PolarHBondContact O-N 3.25Å
351S39.4Very low52Low105 Ų10598.5 Ų98.573%0.73465%0.646SS**  trans53.786162.659.50000119.1L353S351-L353 PolarHBondContact O-N 3.29Å
352H32.9Very low54.8Low191 Ų19194.8 Ų94.888%0.88461%0.608SS**  trans-87.492.3149.4-101.4-73000109.5
353L46.4Very low58Low166 Ų16691.2 Ų91.287%0.86957%0.571SS**  trans-83.9107.3153.6-103.989.6000107.5S351S351-L353 PolarHBondContact O-N 3.29Å
354S43.5Very low60.9Low114 Ų11489.7 Ų89.780%0.79755%0.552SS**  trans-158.294.8164.3-147.20000111.1
355G56.5Low63.8Low73 Ų7389 Ų8975%0.75353%0.53SS*.  trans75127.2172.500000116.3T357G355-T357 PolarHBondContact O-N 2.83Å
356S77.5Confident66.9Low80 Ų8086 Ų8656%0.55950%0.503SS*.  trans-59.9129164.254.30000109.3T358S356-T358 PolarHBondContact O-N 3.43Å
357T90.4Very high69.6Low18 Ų1879.8 Ų79.811%0.1147%0.465CS..  trans-63.5134.5177.7-70.70000110.5P329 G355 D361 V423 S424P329-T357 HydrophobicContact CG-CG2 3.52Å; P329-T357 WeakPolarHBondContact CG-OG1 3.35Å; G355-T357 PolarHBondContact O-N 2.83Å; T357-D361 HydrophobicContact CG2-CB 4.49Å; T357-V423 HydrophobicContact CG2-CG2 4.49Å; T357-V423 CarbonylContact O-C 3.55Å; T357-V423 WeakPolarHBondContact O-CA 3.46Å; T357-S424 PolarHBondContact O-N 2.94Å
358T94.7Very high72.6Confident39 Ų3978.2 Ų78.224%0.23945%0.445CS..BIsolated β-bridgetrans-105.6159177.370.60000112.1S356 T360 D361 C362 S424S356-T358 PolarHBondContact O-N 3.43Å; T358-T360 PolarHBondContact O-N 3.47Å; T358-T360 PolarHBondContact OG1-N 2.84Å; T358-D361 WeakPolarHBondContact CB-OD2 3.49Å; T358-D361 PolarHBondContact N-OD2 3.41Å; T358-D361 WeakPolarHBondContact O-CB 3.03Å; T358-D361 PolarHBondContact O-N 3.25Å; T358-D361 PolarHBondContact OG1-N 2.99Å; T358-D361 VanDerWaalsContact OG1-N 3.09Å; T358-D361 PolarHBondContact OG1-OD2 2.76Å; T358-C362 PolarHBondContact O-N 3.12Å; T358-C362 VanDerWaalsContact O-N 3.14Å; T358-S424 CarbonylContact C-O 3.44Å; T358-S424 VanDerWaalsContact CA-O 3.24Å; T358-S424 WeakPolarHBondContact CA-O 3.21Å
359L95.8Very high75.5Confident0 Ų073.9 Ų73.90%043%0.425CS..Hα-helixtrans-55-38.9169.9177.762.3000111.4L326 D361 C362 L363 F404 L406 S424 F425 L429 L512 Y514L326-L359 HydrophobicContact CD1-CD1 3.44Å; L326-L359 VanDerWaalsContact CD1-CD1 3.44Å; L359-D361 VanDerWaalsContact C-N 3.32Å; L359-D361 PolarHBondContact O-N 3.21Å; L359-C362 WeakPolarHBondContact O-CB 3.43Å; L359-C362 PolarHBondContact O-N 2.93Å; L359-L363 HydrophobicContact CG-CD1 4.19Å; L359-L363 WeakPolarHBondContact O-CG 3.24Å; L359-L363 PolarHBondContact O-N 3.19Å; L359-F404 HydrophobicContact CD1-CB 4.39Å; L359-F404 HydrophobicContact CD1-CG 4.39Å; L359-F404 HydrophobicContact CD2-CD2 4.44Å; L359-L406 HydrophobicContact CD1-CD2 4.19Å; L359-S424 PolarHBondContact N-O 3.21Å; L359-F425 HydrophobicContact CB-CB 4.09Å; L359-F425 HydrophobicContact CD2-CB 4.14Å; L359-L429 HydrophobicContact CD2-CD1 4.45Å; L359-L429 HydrophobicContact CD2-CD2 4.01Å; L359-L512 HydrophobicContact CD1-CD1 4.08Å; L359-L512 HydrophobicContact CD2-CD1 3.88Å; L359-Y514 HydrophobicContact CD2-CE2 3.96Å
360T94.7Very high77.9Confident45 Ų4575.2 Ų75.228%0.27641%0.411SS..Hα-helixtrans-62.4-37.9176.4-52.70000111.8T358 L363 R364 F434T358-T360 PolarHBondContact O-N 3.47Å; T358-T360 PolarHBondContact OG1-N 2.84Å; T360-L363 PolarHBondContact O-N 3.06Å; T360-R364 WeakPolarHBondContact O-CG 3.42Å; T360-R364 PolarHBondContact O-N 3.41Å; T360-F434 HydrophobicContact CG2-CZ 4Å
361D93.7Very high80.7Confident39 Ų3971 Ų7121%0.20939%0.391CS..Hα-helixtrans-66.1-41.4174.7-60.7-46.9000111.6T357 T358 L359 L363 R364 R365T357-D361 HydrophobicContact CG2-CB 4.49Å; T358-D361 WeakPolarHBondContact CB-OD2 3.49Å; T358-D361 PolarHBondContact N-OD2 3.41Å; T358-D361 WeakPolarHBondContact O-CB 3.03Å; T358-D361 PolarHBondContact O-N 3.25Å; T358-D361 PolarHBondContact OG1-N 2.99Å; T358-D361 VanDerWaalsContact OG1-N 3.09Å; T358-D361 PolarHBondContact OG1-OD2 2.76Å; L359-D361 VanDerWaalsContact C-N 3.32Å; L359-D361 PolarHBondContact O-N 3.21Å; D361-L363 VanDerWaalsContact C-N 3.34Å; D361-L363 PolarHBondContact O-N 3.42Å; D361-R364 PolarHBondContact O-N 2.72Å; D361-R365 WeakPolarHBondContact O-CG 3.18Å; D361-R365 PolarHBondContact O-N 2.96Å
362C95.3Very high83Confident2 Ų268.2 Ų68.21%0.01437%0.368CS..Hα-helixtrans-61.1-43.2175.2-630000111.4L326 T358 L359 R365 F366L326-C362 HydrophobicContact CB-CB 4.16Å; L326-C362 HydrophobicContact CD1-CB 3.98Å; L326-C362 HydrophobicContact CG-CB 4.47Å; T358-C362 PolarHBondContact O-N 3.12Å; T358-C362 VanDerWaalsContact O-N 3.14Å; L359-C362 WeakPolarHBondContact O-CB 3.43Å; L359-C362 PolarHBondContact O-N 2.93Å; C362-R365 PolarHBondContact O-N 3.45Å; C362-F366 WeakPolarHBondContact O-CB 3.2Å; C362-F366 PolarHBondContact O-N 2.97Å
363L95.7Very high85.3Confident0 Ų060 Ų600%034%0.335CS..Hα-helixtrans-64.8-42.5175.6-73.3165.2000112.4L326 L359 T360 D361 R365 F366 T367 F404 L429 M431 F434L326-L363 HydrophobicContact CD1-CD2 4.22Å; L326-L363 HydrophobicContact CD1-CG 4.25Å; L326-L363 HydrophobicContact CD2-CD2 3.97Å; L326-L363 HydrophobicContact CD2-CG 4.47Å; L359-L363 HydrophobicContact CG-CD1 4.19Å; L359-L363 WeakPolarHBondContact O-CG 3.24Å; L359-L363 PolarHBondContact O-N 3.19Å; T360-L363 PolarHBondContact O-N 3.06Å; D361-L363 VanDerWaalsContact C-N 3.34Å; D361-L363 PolarHBondContact O-N 3.42Å; L363-R365 VanDerWaalsContact C-N 3.26Å; L363-R365 PolarHBondContact O-N 3.07Å; L363-F366 WeakPolarHBondContact O-CB 3.48Å; L363-F366 PolarHBondContact O-N 3.08Å; L363-T367 PolarHBondContact O-N 3.16Å; L363-T367 PolarHBondContact O-OG1 3.27Å; L363-T367 VanDerWaalsContact O-OG1 3.13Å; L363-F404 HydrophobicContact CD1-CE1 4.27Å; L363-F404 HydrophobicContact CD2-CD1 4.1Å; L363-F404 HydrophobicContact CD2-CE1 3.64Å; L363-F404 HydrophobicContact CG-CE1 4.47Å; L363-L429 HydrophobicContact CD1-CD1 4.21Å; L363-L429 HydrophobicContact CD1-CD2 4.23Å; L363-M431 HydrophobicContact CD1-SD 3.88Å; L363-M431 HydrophobicContact CD2-CE 4.28Å; L363-F434 HydrophobicContact CB-CD1 4.09Å; L363-F434 HydrophobicContact CB-CD2 4.22Å; L363-F434 HydrophobicContact CB-CE1 3.62Å; L363-F434 HydrophobicContact CB-CE2 3.78Å; L363-F434 HydrophobicContact CB-CG 4.37Å; L363-F434 HydrophobicContact CB-CZ 3.44Å; L363-F434 VanDerWaalsContact CB-CZ 3.44Å; L363-F434 HydrophobicContact CD1-CD2 4.27Å; L363-F434 HydrophobicContact CD1-CE2 3.8Å; L363-F434 HydrophobicContact CD1-CZ 4.25Å; L363-F434 HydrophobicContact CG-CE2 4.39Å; L363-F434 HydrophobicContact CG-CZ 4.48Å
364R93.8Very high87Confident142 Ų14256.2 Ų56.254%0.53632%0.322SS..Hα-helixtrans-58.3-40.6174.9-77.3179.5-173.5-127.53.3111.7T360 D361 T367 R368 F434T360-R364 WeakPolarHBondContact O-CG 3.42Å; T360-R364 PolarHBondContact O-N 3.41Å; D361-R364 PolarHBondContact O-N 2.72Å; R364-T367 PolarHBondContact O-OG1 3.21Å; R364-R368 PolarHBondContact O-N 2.76Å; R364-F434 HydrophobicContact CB-CE1 4.34Å; R364-F434 HydrophobicContact CG-CE1 3.68Å; R364-F434 HydrophobicContact CG-CZ 4.18Å
365R91.3Very high88.8Confident48 Ų4856.5 Ų56.518%0.18132%0.324CS..Hα-helixtrans-67.3-45.5175.9-69.1173.3-160.9145.68.9111.5F335 D361 C362 L363 T367 R368F335-R365 VanDerWaalsContact CE2-NH2 3.27Å; D361-R365 WeakPolarHBondContact O-CG 3.18Å; D361-R365 PolarHBondContact O-N 2.96Å; C362-R365 PolarHBondContact O-N 3.45Å; L363-R365 VanDerWaalsContact C-N 3.26Å; L363-R365 PolarHBondContact O-N 3.07Å; R365-T367 PolarHBondContact O-N 2.77Å; R365-R368 VanDerWaalsContact O-CB 3.31Å; R365-R368 WeakPolarHBondContact O-CB 3.34Å; R365-R368 PolarHBondContact O-N 2.92Å; R365-R368 VanDerWaalsContact O-N 3.1Å
366F94.5Very high90.3Very high47 Ų4755.3 Ų55.321%0.20631%0.307CS..Hα-helixtrans-56.7-38177179.4-95.2000112.2L302 I324 L326 C362 L363 L393 M395L302-F366 HydrophobicContact CD1-CE1 3.74Å; L302-F366 HydrophobicContact CD1-CZ 4.09Å; L302-F366 HydrophobicContact CD2-CE1 4.5Å; L302-F366 HydrophobicContact CD2-CZ 4.04Å; I324-F366 HydrophobicContact CG2-CD1 4.2Å; I324-F366 HydrophobicContact CG2-CD2 4.33Å; I324-F366 HydrophobicContact CG2-CE1 3.99Å; I324-F366 HydrophobicContact CG2-CE2 4.13Å; I324-F366 HydrophobicContact CG2-CG 4.37Å; I324-F366 HydrophobicContact CG2-CZ 3.96Å; L326-F366 HydrophobicContact CD2-CB 3.7Å; L326-F366 HydrophobicContact CD2-CD2 4.12Å; L326-F366 HydrophobicContact CD2-CG 3.94Å; C362-F366 WeakPolarHBondContact O-CB 3.2Å; C362-F366 PolarHBondContact O-N 2.97Å; L363-F366 WeakPolarHBondContact O-CB 3.48Å; L363-F366 PolarHBondContact O-N 3.08Å; F366-L393 HydrophobicContact CE1-CB 4.3Å; F366-L393 HydrophobicContact CE2-CD1 4.22Å; F366-L393 HydrophobicContact CZ-CD1 4.04Å; F366-M395 HydrophobicContact CD1-CE 4.12Å; F366-M395 HydrophobicContact CE1-CE 3.78Å
367T94.7Very high90.8Very high16 Ų1656.1 Ų56.110%0.09830%0.3CS..THydrogen-bonded Turntrans-92.26.1179.361.70000115.1L363 R364 R365 Q392 L393 F434L363-T367 PolarHBondContact O-N 3.16Å; L363-T367 PolarHBondContact O-OG1 3.27Å; L363-T367 VanDerWaalsContact O-OG1 3.13Å; R364-T367 PolarHBondContact O-OG1 3.21Å; R365-T367 PolarHBondContact O-N 2.77Å; T367-Q392 WeakPolarHBondContact O-CG 3.14Å; T367-Q392 PolarHBondContact O-NE2 3.32Å; T367-L393 WeakPolarHBondContact CA-O 3.48Å; T367-L393 WeakPolarHBondContact CB-O 3.35Å; T367-F434 HydrophobicContact CG2-CB 4.05Å; T367-F434 HydrophobicContact CG2-CD1 4.04Å; T367-F434 HydrophobicContact CG2-CG 4.43Å
368R92.5Very high90.7Very high97 Ų9758.4 Ų58.437%0.36631%0.311SS..SBendtrans-76138.3-178-171172.564.4-171.9-0.6109.8W336 R364 R365 E370W336-R368 PolarHBondContact O-NH1 3.5Å; R364-R368 PolarHBondContact O-N 2.76Å; R365-R368 VanDerWaalsContact O-CB 3.31Å; R365-R368 WeakPolarHBondContact O-CB 3.34Å; R365-R368 PolarHBondContact O-N 2.92Å; R365-R368 VanDerWaalsContact O-N 3.1Å; R368-E370 PolarHBondContact O-N 3.49Å
369P91.3Very high90.6Very high69 Ų6963.1 Ų63.145%0.44833%0.329SS..  trans-60132.2168.4-1828.7000110.7K391 Q392P369-K391 CarbonylContact C-O 3.51Å; P369-K391 WeakPolarHBondContact CA-O 3.35Å; P369-Q392 HydrophobicContact CB-CB 4.26Å; P369-Q392 HydrophobicContact CB-CG 4.41Å; P369-Q392 HydrophobicContact CG-CB 4.33Å; P369-Q392 HydrophobicContact CG-CG 4.02Å
370E90.7Very high90.3Very high104 Ų10464 Ų6449%0.48633%0.334SS..EExtended strand (participates in β ladder)trans-115.8138.317561.3-178.4166.100110.4R368 T390 K391R368-E370 PolarHBondContact O-N 3.49Å; E370-T390 CarbonylContact O-C 3.58Å; E370-T390 WeakPolarHBondContact O-CA 3.47Å; E370-K391 HydrophobicContact CG-CB 4.1Å; E370-K391 WeakPolarHBondContact CG-O 3.37Å; E370-K391 PolarHBondContact N-O 3.46Å; E370-K391 PolarHBondContact O-N 3.05Å
371H89.9Confident90.1Very high95 Ų9564.7 Ų64.744%0.4435%0.351SS..EExtended strand (participates in β ladder)trans-81.6125.4173.4-164.966.5000108.9G373 E388 T390H371-G373 PolarHBondContact CD2-N 2.83Å; H371-G373 PolarHBondContact O-N 2.81Å; H371-E388 IonicContact CE1-OE2 2.93Å; H371-E388 PolarHBondContact CE1-OE2 3.36Å; H371-E388 IonicContact NE2-OE2 2.88Å; H371-E388 PolarHBondContact NE2-OE2 3.49Å; H371-T390 HydrophobicContact CB-CG2 4.47Å
372L87.4Confident90Very high48 Ų4865.7 Ų65.725%0.25137%0.37SS..  trans-71.5-18.4-178.2-64.4177000112.7A376 I378 S389 K391L372-A376 HydrophobicContact CB-CB 4.18Å; L372-I378 HydrophobicContact CD1-CD1 3.46Å; L372-I378 VanDerWaalsContact CD1-CD1 3.46Å; L372-I378 HydrophobicContact CD1-CG1 4.27Å; L372-S389 PolarHBondContact N-O 2.99Å; L372-S389 VanDerWaalsContact N-O 3.09Å; L372-K391 HydrophobicContact CD1-CB 4.42Å; L372-K391 HydrophobicContact CD2-CB 3.89Å; L372-K391 HydrophobicContact CD2-CD 4.41Å; L372-K391 HydrophobicContact CG-CB 4.22Å
373G81.2Confident89.8Confident19 Ų1967.2 Ų67.220%0.19638%0.381CS..  trans80.7169.9178.600000114.2H371 S375 A376H371-G373 PolarHBondContact CD2-N 2.83Å; H371-G373 PolarHBondContact O-N 2.81Å; G373-S375 VanDerWaalsContact C-N 3.25Å; G373-S375 PolarHBondContact O-N 2.94Å; G373-A376 PolarHBondContact O-N 3.09Å
374S81.7Confident89.6Confident85 Ų8574.6 Ų74.659%0.59442%0.415SS*.G310 helixtrans-68.3-21.2-173.458.60000114.1E388S374-E388 WeakPolarHBondContact CA-OE1 3.44Å; S374-E388 VanDerWaalsContact CB-OE1 3.32Å; S374-E388 WeakPolarHBondContact CB-OE1 3.27Å
375S82.1Confident89.6Confident121 Ų12170 Ų7085%0.84640%0.404SS*.G310 helixtrans-81.6-13.8177.254.40000114.1G373G373-S375 VanDerWaalsContact C-N 3.25Å; G373-S375 PolarHBondContact O-N 2.94Å
376A86.9Confident89.7Confident47 Ų4774.9 Ų74.939%0.38842%0.424SS..G310 helixtrans-12540.8-176.700000111.9L372 G373L372-A376 HydrophobicContact CB-CB 4.18Å; G373-A376 PolarHBondContact O-N 3.09Å
377K88.7Confident89.6Confident97 Ų9774.7 Ų74.742%0.42242%0.424SS..  trans-60.6139.5176.5-68.5-178-176.7-173.30111.2Y386 Q387 E388K377-Y386 HydrophobicContact CB-CD1 4.46Å; K377-Q387 CarbonylContact C-O 3.59Å; K377-Q387 VanDerWaalsContact CA-O 3.31Å; K377-Q387 WeakPolarHBondContact CA-O 3.47Å; K377-Q387 WeakPolarHBondContact CB-O 3.46Å; K377-E388 HydrophobicContact CD-CG 4.43Å; K377-E388 HydrophobicContact CG-CG 4.09Å
378I88.8Confident89.6Confident67 Ų6777 Ų7734%0.34443%0.433SS..EExtended strand (participates in β ladder)trans-107.4137.8-179.8-63.8175000108.8V306 L372 C380 Q387V306-I378 HydrophobicContact CG1-CD1 3.62Å; L372-I378 HydrophobicContact CD1-CD1 3.46Å; L372-I378 VanDerWaalsContact CD1-CD1 3.46Å; L372-I378 HydrophobicContact CD1-CG1 4.27Å; I378-C380 PolarHBondContact O-N 3.4Å; I378-Q387 PolarHBondContact N-O 3.13Å; I378-Q387 PolarHBondContact O-N 3.45Å
379K91.7Very high89.6Confident138 Ų13872.5 Ų72.560%0.642%0.417SS*.EExtended strand (participates in β ladder)trans-67.8105.7173.8-170.3177.7-178.2-179.60109.2Y386K379-Y386 HydrophobicContact CB-CD1 4.13Å; K379-Y386 HydrophobicContact CB-CE1 3.87Å
380C90.8Very high89.7Confident17 Ų1770.6 Ų70.612%0.11540%0.404CS..  trans-76.9129.5-179.1179.20000110.4C311 I378 G382 C383 H384 S385 Q387C311-C380 PolarHBondContact SG-SG 2.69Å; I378-C380 PolarHBondContact O-N 3.4Å; C380-G382 VanDerWaalsContact C-N 3.31Å; C380-G382 PolarHBondContact O-N 3.47Å; C380-G382 PolarHBondContact SG-N 2.96Å; C380-C383 HydrophobicContact CB-CB 3.99Å; C380-C383 PolarHBondContact SG-N 2.61Å; C380-H384 WeakPolarHBondContact O-CA 3.41Å; C380-H384 PolarHBondContact O-N 3.23Å; C380-S385 PolarHBondContact N-O 3.49Å; C380-Q387 HydrophobicContact CB-CB 4.39Å; C380-Q387 HydrophobicContact CB-CG 4.14Å
381G90.1Very high89.9Confident61 Ų6169 Ų6963%0.62940%0.395SS*.THydrogen-bonded Turntrans-64.4-32176.700000113.8H384G381-H384 PolarHBondContact O-CE1 3.33Å; G381-H384 PolarHBondContact O-ND1 3.01Å
382G90.7Very high90.1Very high60 Ų6066.1 Ų66.162%0.61938%0.382SS*.THydrogen-bonded Turntrans-83.2-37.5178.400000114.2C380C380-G382 VanDerWaalsContact C-N 3.31Å; C380-G382 PolarHBondContact O-N 3.47Å; C380-G382 PolarHBondContact SG-N 2.96Å
383C91.2Very high90.5Very high34 Ų3465.3 Ų65.323%0.2338%0.378CS..THydrogen-bonded Turntrans-86.2-8.5177.7-56.60000113.4C311 C380 S385 Q387C311-C383 VanDerWaalsContact CB-SG 3.55Å; C380-C383 HydrophobicContact CB-CB 3.99Å; C380-C383 PolarHBondContact SG-N 2.61Å; C383-S385 WeakPolarHBondContact CB-OG 3.35Å; C383-S385 PolarHBondContact O-N 3.32Å; C383-S385 PolarHBondContact O-OG 3.09Å; C383-Q387 HydrophobicContact CB-CG 3.97Å
384H92.4Very high91.2Very high155 Ų15564.6 Ų64.672%0.71837%0.37SS*.SBendtrans48.823.9-172.5-61.2-64.6000115.1C380 G381C380-H384 WeakPolarHBondContact O-CA 3.41Å; C380-H384 PolarHBondContact O-N 3.23Å; G381-H384 PolarHBondContact O-CE1 3.33Å; G381-H384 PolarHBondContact O-ND1 3.01Å
385S93.3Very high91.8Very high45 Ų4560.5 Ų60.532%0.31534%0.341SS..SBendtrans-145.1164.4-173.250.20000111C380 C383 Q387C380-S385 PolarHBondContact N-O 3.49Å; C383-S385 WeakPolarHBondContact CB-OG 3.35Å; C383-S385 PolarHBondContact O-N 3.32Å; C383-S385 PolarHBondContact O-OG 3.09Å; S385-Q387 PolarHBondContact O-N 2.9Å; S385-Q387 PolarHBondContact OG-NE2 3.4Å
386Y92.6Very high92.4Very high151 Ų15159.4 Ų59.459%0.59232%0.321SS*.EExtended strand (participates in β ladder)trans-76.9115.8178-75.6-86.9000110.5K377 K379K377-Y386 HydrophobicContact CB-CD1 4.46Å; K379-Y386 HydrophobicContact CB-CD1 4.13Å; K379-Y386 HydrophobicContact CB-CE1 3.87Å
387Q93.1Very high92.6Very high43 Ų4361.5 Ų61.520%0.20132%0.321CS..EExtended strand (participates in β ladder)trans-120154.7-176.7-61.4-57.5-20.400111.3V310 K377 I378 C380 C383 S385V310-Q387 HydrophobicContact CG2-CG 4.29Å; K377-Q387 CarbonylContact C-O 3.59Å; K377-Q387 VanDerWaalsContact CA-O 3.31Å; K377-Q387 WeakPolarHBondContact CA-O 3.47Å; K377-Q387 WeakPolarHBondContact CB-O 3.46Å; I378-Q387 PolarHBondContact N-O 3.13Å; I378-Q387 PolarHBondContact O-N 3.45Å; C380-Q387 HydrophobicContact CB-CB 4.39Å; C380-Q387 HydrophobicContact CB-CG 4.14Å; C383-Q387 HydrophobicContact CB-CG 3.97Å; S385-Q387 PolarHBondContact O-N 2.9Å; S385-Q387 PolarHBondContact OG-NE2 3.4Å
388E93.9Very high92.8Very high63 Ų6357.3 Ų57.329%0.29430%0.304SS..  trans-70.6142.9166-61.5-166.7172.400109.6Q309 H371 S374 K377Q309-E388 WeakPolarHBondContact CB-O 3.5Å; Q309-E388 WeakPolarHBondContact CG-O 3.29Å; Q309-E388 PolarHBondContact N-O 3.5Å; H371-E388 IonicContact CE1-OE2 2.93Å; H371-E388 PolarHBondContact CE1-OE2 3.36Å; H371-E388 IonicContact NE2-OE2 2.88Å; H371-E388 PolarHBondContact NE2-OE2 3.49Å; S374-E388 WeakPolarHBondContact CA-OE1 3.44Å; S374-E388 VanDerWaalsContact CB-OE1 3.32Å; S374-E388 WeakPolarHBondContact CB-OE1 3.27Å; K377-E388 HydrophobicContact CD-CG 4.43Å; K377-E388 HydrophobicContact CG-CG 4.09Å
389S93.1Very high93Very high4 Ų454.3 Ų54.33%0.02829%0.289CS..EExtended strand (participates in β ladder)trans-140.4151.8-175.6-630000110T307 L372T307-S389 CarbonylContact O-C 3.55Å; T307-S389 WeakPolarHBondContact O-CA 3.44Å; T307-S389 WeakPolarHBondContact O-CB 3.42Å; L372-S389 PolarHBondContact N-O 2.99Å; L372-S389 VanDerWaalsContact N-O 3.09Å
390T93.9Very high93Very high29 Ų2949.9 Ų49.918%0.17827%0.271CS..EExtended strand (participates in β ladder)trans-98141.1165.649.30000109.6V306 T307 Q309 E370 H371V306-T390 CarbonylContact C-O 3.56Å; V306-T390 WeakPolarHBondContact CA-O 3.49Å; T307-T390 PolarHBondContact N-O 2.89Å; T307-T390 PolarHBondContact O-N 3.08Å; Q309-T390 PolarHBondContact NE2-OG1 3.21Å; Q309-T390 VanDerWaalsContact NE2-OG1 3.09Å; E370-T390 CarbonylContact O-C 3.58Å; E370-T390 WeakPolarHBondContact O-CA 3.47Å; H371-T390 HydrophobicContact CB-CG2 4.47Å
391K93.7Very high93.3Very high70 Ų7049.1 Ų49.130%0.30427%0.266SS..EExtended strand (participates in β ladder)trans-107.1140.2170.7-174.1-179.7179-172.70109.3S304 D305 V306 P369 E370 L372S304-K391 WeakPolarHBondContact OG-CE 3.27Å; D305-K391 CarbonylContact O-C 3.47Å; D305-K391 WeakPolarHBondContact O-CA 3.42Å; V306-K391 HydrophobicContact CG2-CG 4.45Å; P369-K391 CarbonylContact C-O 3.51Å; P369-K391 WeakPolarHBondContact CA-O 3.35Å; E370-K391 HydrophobicContact CG-CB 4.1Å; E370-K391 WeakPolarHBondContact CG-O 3.37Å; E370-K391 PolarHBondContact N-O 3.46Å; E370-K391 PolarHBondContact O-N 3.05Å; L372-K391 HydrophobicContact CD1-CB 4.42Å; L372-K391 HydrophobicContact CD2-CB 3.89Å; L372-K391 HydrophobicContact CD2-CD 4.41Å; L372-K391 HydrophobicContact CG-CB 4.22Å
392Q94.9Very high93.6Very high34 Ų3446.4 Ų46.416%0.15924%0.237CC..EExtended strand (participates in β ladder)trans-140135.2174.2-172.2-17818.900110.5S304 D305 T367 P369 T394 K439S304-Q392 WeakPolarHBondContact CA-O 3.33Å; D305-Q392 PolarHBondContact N-O 3Å; D305-Q392 PolarHBondContact O-N 2.72Å; T367-Q392 WeakPolarHBondContact O-CG 3.14Å; T367-Q392 PolarHBondContact O-NE2 3.32Å; P369-Q392 HydrophobicContact CB-CB 4.26Å; P369-Q392 HydrophobicContact CB-CG 4.41Å; P369-Q392 HydrophobicContact CG-CB 4.33Å; P369-Q392 HydrophobicContact CG-CG 4.02Å; Q392-T394 HydrophobicContact CG-CG2 4.25Å; Q392-K439 VanDerWaalsContact OE1-CE 3.26Å
393L95.9Very high93.9Very high31 Ų3143.7 Ų43.716%0.16221%0.209CC..EExtended strand (participates in β ladder)trans-100.8136.4172.7-59.1175.1000109.9L302 Q303 F366 T367L302-L393 HydrophobicContact CD1-CB 4.27Å; L302-L393 HydrophobicContact CD2-CB 4.37Å; L302-L393 HydrophobicContact CD2-CD1 4.16Å; L302-L393 HydrophobicContact CD2-CD2 3.97Å; L302-L393 HydrophobicContact CD2-CG 4.39Å; L302-L393 HydrophobicContact CG-CB 4.42Å; L302-L393 HydrophobicContact CG-CD2 4.35Å; Q303-L393 CarbonylContact O-C 3.57Å; Q303-L393 WeakPolarHBondContact O-CA 3.25Å; F366-L393 HydrophobicContact CE1-CB 4.3Å; F366-L393 HydrophobicContact CE2-CD1 4.22Å; F366-L393 HydrophobicContact CZ-CD1 4.04Å; T367-L393 WeakPolarHBondContact CA-O 3.48Å; T367-L393 WeakPolarHBondContact CB-O 3.35Å
394T95.9Very high94.3Very high4 Ų442.1 Ų42.13%0.02520%0.198CC..EExtended strand (participates in β ladder)trans-145.4162.7175.455.60000110.7L302 Q303 Q392 A436L302-T394 WeakPolarHBondContact CD1-O 3.49Å; Q303-T394 PolarHBondContact N-O 2.9Å; Q303-T394 PolarHBondContact O-N 3.09Å; Q392-T394 HydrophobicContact CG-CG2 4.25Å; T394-A436 WeakPolarHBondContact OG1-CB 3.42Å
395M95.3Very high94.6Very high0 Ų035.6 Ų35.60%017%0.168CC..EExtended strand (participates in β ladder)trans-85.3116.6-179.3-55.5-58.816900110.3L302 F321 I324 F366 L398 M431 F434 M435 A436L302-M395 HydrophobicContact CD1-CE 4.18Å; L302-M395 HydrophobicContact CD1-SD 3.82Å; F321-M395 HydrophobicContact CE1-SD 4.18Å; F321-M395 HydrophobicContact CZ-SD 4.04Å; I324-M395 HydrophobicContact CD1-CE 3.38Å; I324-M395 HydrophobicContact CD1-SD 4.07Å; I324-M395 HydrophobicContact CG1-CE 4.06Å; I324-M395 HydrophobicContact CG2-CE 4.44Å; F366-M395 HydrophobicContact CD1-CE 4.12Å; F366-M395 HydrophobicContact CE1-CE 3.78Å; M395-L398 HydrophobicContact CB-CD2 3.68Å; M395-L398 HydrophobicContact CB-CG 4.47Å; M395-L398 HydrophobicContact CG-CD2 3.74Å; M395-L398 HydrophobicContact SD-CD2 4.38Å; M395-M431 HydrophobicContact CE-CE 4.24Å; M395-M431 HydrophobicContact CG-CE 4.26Å; M395-F434 HydrophobicContact CG-CB 4.24Å; M395-F434 PolarHBondContact N-O 2.5Å; M395-M435 HydrophobicContact CB-SD 3.58Å; M395-M435 VanDerWaalsContact CB-SD 3.58Å; M395-M435 CarbonylContact O-C 3.59Å; M395-M435 WeakPolarHBondContact O-CA 3.15Å; M395-M435 WeakPolarHBondContact O-CE 3.02Å; M395-A436 PolarHBondContact O-N 2.64Å
396K93.1Very high94.7Very high98 Ų9833.4 Ų33.443%0.42615%0.153SC..EExtended strand (participates in β ladder)trans-85.2-45.6171.4-172.456.3165.6-167.50111.6G301 Q303 I318G301-K396 WeakPolarHBondContact O-CA 3.44Å; G301-K396 WeakPolarHBondContact O-CB 3.33Å; G301-K396 PolarHBondContact O-N 2.74Å; Q303-K396 HydrophobicContact CB-CB 4.18Å; I318-K396 HydrophobicContact CD1-CG 4.08Å; I318-K396 HydrophobicContact CG1-CG 4.49Å
397K90.9Very high94.7Very high90 Ų9029.8 Ų29.839%0.39114%0.14SC..EExtended strand (participates in β ladder)trans-134.3130.9178.1-178.5-179.4-178.1179.20108.4G300 G301G300-K397 CarbonylContact C-O 3.57Å; G300-K397 WeakPolarHBondContact CA-O 3.37Å; G301-K397 PolarHBondContact N-O 2.74Å; G301-K397 PolarHBondContact O-N 3.46Å
398L93.1Very high94.6Very high10 Ų1027.9 Ų27.95%0.05213%0.131CC..  trans-94.9140.2174.1-60.5171.7000110.8M395 M431 M435 N458 Y460M395-L398 HydrophobicContact CB-CD2 3.68Å; M395-L398 HydrophobicContact CB-CG 4.47Å; M395-L398 HydrophobicContact CG-CD2 3.74Å; M395-L398 HydrophobicContact SD-CD2 4.38Å; L398-M431 HydrophobicContact CD1-CB 3.55Å; L398-M431 HydrophobicContact CD1-CG 4.36Å; L398-M431 HydrophobicContact CD2-CB 4.19Å; L398-M431 HydrophobicContact CD2-CE 4Å; L398-M435 HydrophobicContact CD1-SD 3.6Å; L398-M435 VanDerWaalsContact CD1-SD 3.6Å; L398-M435 HydrophobicContact CD2-SD 3.93Å; L398-M435 HydrophobicContact CG-CE 4.26Å; L398-M435 HydrophobicContact CG-SD 3.53Å; L398-M435 VanDerWaalsContact CG-SD 3.53Å; L398-N458 HydrophobicContact CD1-CB 4.01Å; L398-N458 WeakPolarHBondContact CD1-OD1 3.35Å; L398-Y460 WeakPolarHBondContact CB-OH 3.38Å; L398-Y460 HydrophobicContact CD1-CE2 3.99Å
399P93.6Very high94.2Very high4 Ų426.8 Ų26.83%0.02613%0.125CC..  trans-69.9163.6175.932.4-36.9000111.3F298 F321 V401 A402 Y460 K516F298-P399 VanDerWaalsContact O-CB 3.27Å; F298-P399 WeakPolarHBondContact O-CB 3.29Å; F321-P399 HydrophobicContact CE2-CG 4.31Å; P399-V401 VanDerWaalsContact C-N 3.33Å; P399-V401 WeakPolarHBondContact CB-O 3.48Å; P399-V401 WeakPolarHBondContact CG-O 3.36Å; P399-A402 HydrophobicContact CG-CB 4.1Å; P399-Y460 PolarHBondContact O-OH 2.94Å; P399-K516 WeakPolarHBondContact O-CE 3.27Å
400I92.5Very high93.5Very high44 Ų4427.5 Ų27.523%0.22613%0.128CC..SBendtrans-68.5-39.3172.5-63.4174.6000110.6L193 Q296 I297 H515 K516 L519L193-I400 HydrophobicContact CD1-CB 4.25Å; L193-I400 HydrophobicContact CD1-CD1 3.75Å; L193-I400 HydrophobicContact CD1-CG2 3.47Å; L193-I400 VanDerWaalsContact CD1-CG2 3.47Å; Q296-I400 VanDerWaalsContact O-CD1 3.29Å; Q296-I400 WeakPolarHBondContact O-CD1 3.42Å; I297-I400 WeakPolarHBondContact O-CA 3.46Å; I297-I400 PolarHBondContact O-N 2.92Å; I400-H515 CarbonylContact O-C 3.33Å; I400-H515 WeakPolarHBondContact O-CA 3.18Å; I400-K516 PolarHBondContact O-N 3.31Å; I400-L519 HydrophobicContact CB-CD2 4.36Å; I400-L519 HydrophobicContact CD1-CD2 4.36Å; I400-L519 HydrophobicContact CG1-CD2 4.3Å; I400-L519 HydrophobicContact CG2-CD2 3.26Å
401V95.5Very high92.3Very high2 Ų232.1 Ų32.11%0.01215%0.148CC..EExtended strand (participates in β ladder)trans-113.9113172.9175.60000108.6T191 I297 F298 P399 F463 F513 Y514 H515T191-V401 HydrophobicContact CG2-CG2 3.8Å; I297-V401 HydrophobicContact CG2-CB 3.75Å; I297-V401 HydrophobicContact CG2-CG2 3.53Å; I297-V401 PolarHBondContact O-N 2.97Å; F298-V401 HydrophobicContact CD1-CB 3.99Å; F298-V401 HydrophobicContact CD1-CG1 3.96Å; F298-V401 HydrophobicContact CE1-CB 3.79Å; F298-V401 HydrophobicContact CE1-CG1 3.45Å; F298-V401 VanDerWaalsContact CE1-CG1 3.45Å; F298-V401 HydrophobicContact CZ-CB 4.4Å; F298-V401 HydrophobicContact CZ-CG1 4.26Å; P399-V401 VanDerWaalsContact C-N 3.33Å; P399-V401 WeakPolarHBondContact CB-O 3.48Å; P399-V401 WeakPolarHBondContact CG-O 3.36Å; V401-F463 HydrophobicContact CG1-CE1 3.91Å; V401-F463 HydrophobicContact CG1-CZ 4Å; V401-F513 HydrophobicContact CG1-CD1 4.48Å; V401-Y514 CarbonylContact C-O 3.6Å; V401-Y514 VanDerWaalsContact CA-O 3.24Å; V401-Y514 WeakPolarHBondContact CA-O 3.38Å; V401-H515 HydrophobicContact CG2-CB 4.27Å
402A96.8Very high91.1Very high3 Ų331.5 Ų31.53%0.02515%0.152CC..EExtended strand (participates in β ladder)trans-89.1126.7174.200000110P399 F404 Y460 Y514P399-A402 HydrophobicContact CG-CB 4.1Å; A402-F404 HydrophobicContact CB-CE2 3.85Å; A402-F404 HydrophobicContact CB-CZ 3.99Å; A402-Y460 HydrophobicContact CB-CD1 4.14Å; A402-Y460 HydrophobicContact CB-CE1 3.82Å; A402-Y514 PolarHBondContact N-O 3.49Å; A402-Y514 PolarHBondContact O-N 3.49Å
403C98.1Very high89.6Confident4 Ų435.1 Ų35.13%0.02719%0.188CC..EExtended strand (participates in β ladder)trans-106.1118.1171-1800000109.4L260 D323 I324 L512 F513L260-C403 VanDerWaalsContact CD2-SG 3.57Å; D323-C403 CarbonylContact C-O 3.59Å; D323-C403 VanDerWaalsContact CA-O 3.29Å; D323-C403 WeakPolarHBondContact CA-O 3.35Å; D323-C403 HydrophobicContact CB-CB 4.1Å; I324-C403 PolarHBondContact N-O 2.67Å; C403-L512 WeakPolarHBondContact CA-O 3.4Å; C403-F513 HydrophobicContact CB-CD1 4.31Å; C403-F513 HydrophobicContact CB-CE1 4.24Å
404F98.4Very high88.1Confident0 Ų043.3 Ų43.30%022%0.222CC..EExtended strand (participates in β ladder)trans-103.5123.7172.6-57.9-79.3000109.6I324 L326 L359 L363 A402 L429 M431 L511 L512 Y514I324-F404 HydrophobicContact CB-CD1 3.92Å; I324-F404 HydrophobicContact CB-CE1 4.23Å; I324-F404 HydrophobicContact CD1-CD1 4.14Å; I324-F404 HydrophobicContact CD1-CE1 3.57Å; I324-F404 HydrophobicContact CD1-CZ 4.4Å; I324-F404 HydrophobicContact CG1-CE1 4.5Å; I324-F404 HydrophobicContact CG2-CD1 4.32Å; I324-F404 WeakPolarHBondContact O-CA 3.47Å; L326-F404 HydrophobicContact CD1-CB 4.34Å; L326-F404 HydrophobicContact CD1-CD1 4.07Å; L359-F404 HydrophobicContact CD1-CB 4.39Å; L359-F404 HydrophobicContact CD1-CG 4.39Å; L359-F404 HydrophobicContact CD2-CD2 4.44Å; L363-F404 HydrophobicContact CD1-CE1 4.27Å; L363-F404 HydrophobicContact CD2-CD1 4.1Å; L363-F404 HydrophobicContact CD2-CE1 3.64Å; L363-F404 HydrophobicContact CG-CE1 4.47Å; A402-F404 HydrophobicContact CB-CE2 3.85Å; A402-F404 HydrophobicContact CB-CZ 3.99Å; F404-L429 HydrophobicContact CD2-CD2 4.48Å; F404-L429 HydrophobicContact CE2-CD2 3.53Å; F404-L429 HydrophobicContact CZ-CD2 3.65Å; F404-M431 HydrophobicContact CE1-CE 4.19Å; F404-M431 HydrophobicContact CE1-SD 4.37Å; F404-M431 HydrophobicContact CZ-CE 4.06Å; F404-M431 HydrophobicContact CZ-SD 3.82Å; F404-L511 CarbonylContact O-C 3.49Å; F404-L511 WeakPolarHBondContact O-CA 3.32Å; F404-L512 HydrophobicContact CB-CB 4.28Å; F404-L512 PolarHBondContact N-O 3.04Å; F404-L512 PolarHBondContact O-N 3.41Å; F404-Y514 AromaticContact CD2-CD2 3.69Å; F404-Y514 HydrophobicContact CD2-CD2 3.69Å; F404-Y514 HydrophobicContact CD2-CE2 4.01Å; F404-Y514 AromaticContact CE2-CD2 3.72Å; F404-Y514 HydrophobicContact CE2-CD2 3.72Å; F404-Y514 HydrophobicContact CE2-CE2 4.21Å; F404-Y514 HydrophobicContact CE2-CG 4.34Å
405H98Very high86.8Confident18 Ų1847.1 Ų47.18%0.08324%0.242CC..EExtended strand (participates in β ladder)trans-101117173.9165.7-147.2000109.3H257 I324 S325 L326 K407 Y510 L511H257-H405 AromaticContact CD2-CG 3.63Å; H257-H405 AromaticContact CD2-ND1 3.59Å; H257-H405 AromaticContact CE1-ND1 3.56Å; H257-H405 AromaticContact CG-CE1 3.91Å; H257-H405 AromaticContact CG-CG 3.87Å; H257-H405 AromaticContact CG-ND1 3.58Å; H257-H405 AromaticContact ND1-CE1 3.81Å; H257-H405 AromaticContact ND1-ND1 3.56Å; H257-H405 AromaticContact NE2-CG 3.93Å; H257-H405 AromaticContact NE2-ND1 3.56Å; I324-H405 PolarHBondContact O-N 2.91Å; S325-H405 CarbonylContact C-O 3.54Å; S325-H405 WeakPolarHBondContact CA-O 3.39Å; S325-H405 PolarHBondContact OG-ND1 3.1Å; L326-H405 PolarHBondContact N-O 2.88Å; H405-K407 PolarHBondContact O-N 3.02Å; H405-Y510 AromaticContact CD2-CE2 3.67Å; H405-Y510 AromaticContact CD2-CZ 3.81Å; H405-Y510 AromaticContact NE2-CE2 3.49Å; H405-Y510 WeakPolarHBondContact NE2-CE2 3.45Å; H405-Y510 AromaticContact NE2-CZ 3.61Å; H405-Y510 PolarHBondContact NE2-OH 2.93Å; H405-L511 HydrophobicContact CB-CD2 3.65Å
406L96.3Very high85.9Confident0 Ų055.4 Ų55.40%027%0.274CS..EExtended strand (participates in β ladder)trans-85.1109.6172.6-59.3-168.3000108L326 L328 L359 R408 V423 G509 Y510 L512L326-L406 HydrophobicContact CB-CD2 4.17Å; L326-L406 HydrophobicContact CD1-CD2 4.02Å; L328-L406 HydrophobicContact CD1-CB 4.24Å; L328-L406 HydrophobicContact CD2-CB 4.18Å; L328-L406 HydrophobicContact CD2-CD2 4.18Å; L359-L406 HydrophobicContact CD1-CD2 4.19Å; L406-R408 HydrophobicContact CB-CG 4.46Å; L406-R408 WeakPolarHBondContact O-CG 3.07Å; L406-R408 PolarHBondContact O-N 3.01Å; L406-V423 HydrophobicContact CD1-CB 3.91Å; L406-V423 HydrophobicContact CD1-CG1 4Å; L406-V423 HydrophobicContact CD1-CG2 4.23Å; L406-G509 WeakPolarHBondContact CD1-O 3.32Å; L406-Y510 PolarHBondContact N-O 3.07Å; L406-L512 HydrophobicContact CD1-CD1 4.42Å
407K93Very high85.4Confident74 Ų7454.2 Ų54.232%0.32227%0.266SS..  trans-69.280.7-175.9-67.9177.5-173.2170.60111.1S325 L326 D327 H405 F409S325-K407 VanDerWaalsContact CB-CE 3.45Å; S325-K407 WeakPolarHBondContact O-CE 3.45Å; L326-K407 WeakPolarHBondContact O-CB 3.45Å; L326-K407 PolarHBondContact O-N 2.85Å; D327-K407 WeakPolarHBondContact OD1-CD 3.48Å; D327-K407 IonicContact OD1-NZ 2.64Å; D327-K407 PolarHBondContact OD1-NZ 3.2Å; D327-K407 IonicContact OD2-NZ 3.65Å; H405-K407 PolarHBondContact O-N 3.02Å; K407-F409 VanDerWaalsContact C-N 3.32Å
408R90.4Very high85.3Confident3 Ų351.5 Ų51.51%0.01126%0.255CS..  trans-82.7-10.7-178.3-70.8-175.7-177.9-73.5-0.4113L328 L406 K418 I419 T421 G509 Y510L328-R408 HydrophobicContact CD1-CG 3.66Å; L406-R408 HydrophobicContact CB-CG 4.46Å; L406-R408 WeakPolarHBondContact O-CG 3.07Å; L406-R408 PolarHBondContact O-N 3.01Å; R408-K418 CarbonylContact O-C 3.51Å; R408-K418 VanDerWaalsContact O-CA 3.3Å; R408-K418 WeakPolarHBondContact O-CA 3.43Å; R408-I419 PolarHBondContact NH1-O 3.48Å; R408-I419 VanDerWaalsContact NH1-O 3.13Å; R408-I419 PolarHBondContact O-N 3.13Å; R408-T421 PolarHBondContact NH1-O 3.38Å; R408-G509 VanDerWaalsContact CZ-O 3.26Å; R408-G509 PolarHBondContact NE-O 2.99Å; R408-G509 PolarHBondContact NH2-O 3.48Å; R408-Y510 HydrophobicContact CB-CD2 4.37Å; R408-Y510 HydrophobicContact CG-CD2 4.45Å
409F85.1Confident85Confident40 Ų4051.2 Ų51.218%0.17525%0.253CS..EExtended strand (participates in β ladder)trans-110.7117.6-178.2-54.4-60.4000109.8D255 K407 K418 H468 L472 Y510D255-F409 WeakPolarHBondContact OD2-CD2 3.45Å; D255-F409 WeakPolarHBondContact OD2-CE2 3.33Å; K407-F409 VanDerWaalsContact C-N 3.32Å; F409-K418 HydrophobicContact CD1-CB 4.48Å; F409-K418 HydrophobicContact CD1-CG 4.24Å; F409-K418 HydrophobicContact CE1-CD 4.25Å; F409-K418 HydrophobicContact CE1-CG 4.03Å; F409-H468 AromaticContact CE1-ND1 3.93Å; F409-H468 AromaticContact CZ-CE1 3.91Å; F409-H468 AromaticContact CZ-CG 3.96Å; F409-H468 AromaticContact CZ-ND1 3.54Å; F409-L472 HydrophobicContact CB-CD2 3.65Å; F409-L472 HydrophobicContact CD1-CD2 3.37Å; F409-L472 HydrophobicContact CD1-CG 4.04Å; F409-L472 HydrophobicContact CE1-CD2 4.32Å; F409-L472 HydrophobicContact CG-CD2 3.85Å; F409-Y510 AromaticContact CD2-CE2 3.88Å; F409-Y510 HydrophobicContact CD2-CE2 3.88Å; F409-Y510 HydrophobicContact CE2-CD2 4.23Å; F409-Y510 AromaticContact CE2-CE2 3.5Å; F409-Y510 HydrophobicContact CE2-CE2 3.5Å; F409-Y510 AromaticContact CE2-CZ 3.68Å; F409-Y510 HydrophobicContact CZ-CE2 4.47Å
410E78.3Confident84.7Confident19 Ų1955.3 Ų55.39%0.08928%0.278CS..EExtended strand (participates in β ladder)trans-105.1121.2177.7-179.1171-121.500109.3S332 R416 R417S332-E410 VanDerWaalsContact CB-OE1 3.28Å; S332-E410 WeakPolarHBondContact CB-OE1 3.35Å; S332-E410 PolarHBondContact N-OE1 3.18Å; S332-E410 PolarHBondContact OG-OE1 2.96Å; S332-E410 VanDerWaalsContact OG-OE1 3.05Å; E410-R416 WeakPolarHBondContact O-CA 3.28Å; E410-R417 HydrophobicContact CB-CG 4.5Å; E410-R417 PolarHBondContact N-O 2.86Å; E410-R417 VanDerWaalsContact N-O 3.09Å; E410-R417 PolarHBondContact O-N 2.99Å; E410-R417 IonicContact OE1-NH2 2.65Å; E410-R417 IonicContact OE2-CZ 2.76Å; E410-R417 VanDerWaalsContact OE2-CZ 3.28Å; E410-R417 IonicContact OE2-NE 2.75Å; E410-R417 PolarHBondContact OE2-NE 2.97Å; E410-R417 IonicContact OE2-NH2 3.12Å; E410-R417 PolarHBondContact OE2-NH2 2.83Å
411H70.3Confident84.5Confident126 Ų12655.7 Ų55.758%0.58328%0.282SS*.EExtended strand (participates in β ladder)trans-116.797.4173.2-79.6-89.9000109.4
412S66.6Low84.3Confident57 Ų5759.5 Ų59.540%0.39930%0.297SS..EExtended strand (participates in β ladder)trans-112157.5168.7177.40000109.9K414 L415S412-K414 PolarHBondContact O-N 2.84Å; S412-L415 PolarHBondContact N-O 3.11Å; S412-L415 PolarHBondContact O-N 3.02Å
413A64.1Low84.1Confident111 Ų11159.4 Ų59.492%0.91730%0.296SS*.THydrogen-bonded Turntrans-54.6-22177.800000113.5
414K63.6Low84Confident202 Ų20261.1 Ų61.188%0.87831%0.308SS*.THydrogen-bonded Turntrans-112.4-14.3-179-63.6-176.7-180-179.70114.7S412S412-K414 PolarHBondContact O-N 2.84Å
415L68.7Low84Confident84 Ų8461.2 Ų61.244%0.4431%0.309SS..EExtended strand (participates in β ladder)trans-147.7125.3-170.6-171.564.3000110.8S412 R417S412-L415 PolarHBondContact N-O 3.11Å; S412-L415 PolarHBondContact O-N 3.02Å; L415-R417 HydrophobicContact CD2-CG 4.25Å; L415-R417 HydrophobicContact CG-CG 4.21Å
416R77.3Confident83.8Confident175 Ų17562.5 Ų62.566%0.6632%0.318SS*.EExtended strand (participates in β ladder)trans-117.9111.2166.6-64.4-177-178.2-172-1107.3E410 L472E410-R416 WeakPolarHBondContact O-CA 3.28Å; R416-L472 HydrophobicContact CB-CD1 3.96Å
417R83.2Confident83.7Confident73 Ų7364.8 Ų64.828%0.27533%0.331SS..EExtended strand (participates in β ladder)trans-145.2158.5174.369.2179176.995.426.6113G330 E410 L415G330-R417 PolarHBondContact O-NH2 3.49Å; E410-R417 HydrophobicContact CB-CG 4.5Å; E410-R417 PolarHBondContact N-O 2.86Å; E410-R417 VanDerWaalsContact N-O 3.09Å; E410-R417 PolarHBondContact O-N 2.99Å; E410-R417 IonicContact OE1-NH2 2.65Å; E410-R417 IonicContact OE2-CZ 2.76Å; E410-R417 VanDerWaalsContact OE2-CZ 3.28Å; E410-R417 IonicContact OE2-NE 2.75Å; E410-R417 PolarHBondContact OE2-NE 2.97Å; E410-R417 IonicContact OE2-NH2 3.12Å; E410-R417 PolarHBondContact OE2-NH2 2.83Å; L415-R417 HydrophobicContact CD2-CG 4.25Å; L415-R417 HydrophobicContact CG-CG 4.21Å
418K88.3Confident83.8Confident33 Ų3366.6 Ų66.614%0.14334%0.34CS..EExtended strand (participates in β ladder)trans-89.7132.6167.8-172.6-176.9179.9-169.30109.9R408 F409 T420 H468 G470R408-K418 CarbonylContact O-C 3.51Å; R408-K418 VanDerWaalsContact O-CA 3.3Å; R408-K418 WeakPolarHBondContact O-CA 3.43Å; F409-K418 HydrophobicContact CD1-CB 4.48Å; F409-K418 HydrophobicContact CD1-CG 4.24Å; F409-K418 HydrophobicContact CE1-CD 4.25Å; F409-K418 HydrophobicContact CE1-CG 4.03Å; K418-T420 HydrophobicContact CD-CG2 4.37Å; K418-T420 HydrophobicContact CG-CG2 4.39Å; K418-T420 PolarHBondContact O-N 2.93Å; K418-H468 PolarHBondContact NZ-O 3.39Å; K418-G470 WeakPolarHBondContact CD-O 3.5Å; K418-G470 PolarHBondContact NZ-O 2.97Å
419I87.2Confident84Confident3 Ų366.7 Ų66.72%0.01534%0.341CS..  trans-87.6103.6172.2-55.3177.1000108.2L328 R408 T421L328-I419 HydrophobicContact CB-CD1 4.26Å; L328-I419 HydrophobicContact CB-CG2 4.05Å; L328-I419 HydrophobicContact CD1-CB 4.39Å; L328-I419 HydrophobicContact CD1-CG2 4.05Å; R408-I419 PolarHBondContact NH1-O 3.48Å; R408-I419 VanDerWaalsContact NH1-O 3.13Å; R408-I419 PolarHBondContact O-N 3.13Å; I419-T421 VanDerWaalsContact C-N 3.28Å; I419-T421 WeakPolarHBondContact CG2-OG1 3.47Å
420T86.6Confident84.4Confident91 Ų9168.1 Ų68.156%0.55835%0.35SS*.  trans-89.911.3177.360.60000112.9K418 Y422K418-T420 HydrophobicContact CD-CG2 4.37Å; K418-T420 HydrophobicContact CG-CG2 4.39Å; K418-T420 PolarHBondContact O-N 2.93Å; T420-Y422 PolarHBondContact O-N 3.21Å
421T87.7Confident85.2Confident51 Ų5167.3 Ų67.331%0.31335%0.346SS..  trans-58124.5176.1-51.30000109.4P329 R408 I419 V423P329-T421 HydrophobicContact CG-CG2 4.35Å; P329-T421 PolarHBondContact O-OG1 3.26Å; R408-T421 PolarHBondContact NH1-O 3.38Å; I419-T421 VanDerWaalsContact C-N 3.28Å; I419-T421 WeakPolarHBondContact CG2-OG1 3.47Å; T421-V423 PolarHBondContact O-N 3.31Å
422Y91.3Very high86.2Confident83 Ų8362.7 Ų62.733%0.32533%0.327SS..  trans-65.9133.7173.5177.7-102.1000110T420 L505T420-Y422 PolarHBondContact O-N 3.21Å; Y422-L505 PolarHBondContact OH-O 2.85Å
423V94.3Very high87.4Confident0 Ų062.7 Ų62.70%033%0.326CS..  trans-124.7113.4177.4179.40000107.3L328 T357 L406 T421 F425L328-V423 HydrophobicContact CD1-CG2 4.46Å; L328-V423 HydrophobicContact CD2-CG2 3.73Å; T357-V423 HydrophobicContact CG2-CG2 4.49Å; T357-V423 CarbonylContact O-C 3.55Å; T357-V423 WeakPolarHBondContact O-CA 3.46Å; L406-V423 HydrophobicContact CD1-CB 3.91Å; L406-V423 HydrophobicContact CD1-CG1 4Å; L406-V423 HydrophobicContact CD1-CG2 4.23Å; T421-V423 PolarHBondContact O-N 3.31Å; V423-F425 VanDerWaalsContact O-CD1 3.31Å; V423-F425 WeakPolarHBondContact O-CD1 3.46Å; V423-F425 PolarHBondContact O-N 3.03Å
424S95.7Very high88.8Confident41 Ų4157.8 Ų57.829%0.28728%0.284SS..BIsolated β-bridgetrans-72.4125.7176.3175.40000109.9T357 T358 L359T357-S424 PolarHBondContact O-N 2.94Å; T358-S424 CarbonylContact C-O 3.44Å; T358-S424 VanDerWaalsContact CA-O 3.24Å; T358-S424 WeakPolarHBondContact CA-O 3.21Å; L359-S424 PolarHBondContact N-O 3.21Å
425F97.1Very high90.3Very high2 Ų249.1 Ų49.11%0.00925%0.247CC..  trans-120.4137.6174.648.9-93.1000110.3L359 V423 L462 V465 V504 L505 L512L359-F425 HydrophobicContact CB-CB 4.09Å; L359-F425 HydrophobicContact CD2-CB 4.14Å; V423-F425 VanDerWaalsContact O-CD1 3.31Å; V423-F425 WeakPolarHBondContact O-CD1 3.46Å; V423-F425 PolarHBondContact O-N 3.03Å; F425-L462 HydrophobicContact CD2-CD2 3.86Å; F425-L462 HydrophobicContact CE2-CD2 3.9Å; F425-V465 HydrophobicContact CE2-CG1 4.4Å; F425-V465 HydrophobicContact CE2-CG2 3.85Å; F425-V465 HydrophobicContact CZ-CG1 3.96Å; F425-V465 HydrophobicContact CZ-CG2 4.23Å; F425-V504 VanDerWaalsContact CZ-O 3.28Å; F425-V504 WeakPolarHBondContact CZ-O 3.36Å; F425-L505 HydrophobicContact CD2-CD2 4.11Å; F425-L505 HydrophobicContact CE2-CD2 4.02Å; F425-L505 WeakPolarHBondContact O-CD2 3.33Å; F425-L512 HydrophobicContact CB-CD1 3.67Å; F425-L512 HydrophobicContact CD1-CD1 4.05Å; F425-L512 HydrophobicContact CD1-CD2 3.89Å; F425-L512 HydrophobicContact CD2-CD2 4.11Å; F425-L512 HydrophobicContact CE1-CD2 4.01Å; F425-L512 HydrophobicContact CE2-CD2 4.21Å; F425-L512 HydrophobicContact CG-CD1 3.86Å; F425-L512 HydrophobicContact CG-CD2 3.95Å; F425-L512 HydrophobicContact CZ-CD2 4.16Å
426P95.6Very high91.3Very high44 Ų4445.2 Ų45.229%0.28623%0.227SC..  trans-84.6157.3-17635.1-36.8000112.1E428 L429 Y514P426-E428 VanDerWaalsContact CB-O 3.23Å; P426-E428 WeakPolarHBondContact CB-O 3.18Å; P426-E428 WeakPolarHBondContact CG-O 3.45Å; P426-E428 PolarHBondContact O-N 3.29Å; P426-L429 HydrophobicContact CG-CB 4.38Å; P426-L429 HydrophobicContact CG-CD1 4.28Å; P426-Y514 WeakPolarHBondContact O-CE1 3.2Å; P426-Y514 PolarHBondContact O-OH 3.47Å
427L94.1Very high91.6Very high49 Ų4940.1 Ų40.126%0.25722%0.218SC..SBendtrans-64.1-32.3169.4-73.7178000112.5L462 W488 I501 L505L427-L462 HydrophobicContact CD2-CD2 4.29Å; L427-L462 WeakPolarHBondContact O-CB 3.38Å; L427-L462 PolarHBondContact O-N 3.38Å; L427-W488 HydrophobicContact CD2-CZ2 3.92Å; L427-I501 HydrophobicContact CD1-CD1 4.24Å; L427-I501 HydrophobicContact CD1-CG2 3.78Å; L427-I501 HydrophobicContact CD2-CG2 4.34Å; L427-I501 HydrophobicContact CG-CG2 4.33Å; L427-L505 HydrophobicContact CD2-CD2 4.06Å; L427-L505 HydrophobicContact CG-CD1 4.35Å; L427-L505 HydrophobicContact CG-CD2 4.18Å
428E94.7Very high91.4Very high111 Ų11137.6 Ų37.652%0.51921%0.212SC..EExtended strand (participates in β ladder)trans-123133.5177.5-55.1-153163.200110.4P426 Y460 Q517P426-E428 VanDerWaalsContact CB-O 3.23Å; P426-E428 WeakPolarHBondContact CB-O 3.18Å; P426-E428 WeakPolarHBondContact CG-O 3.45Å; P426-E428 PolarHBondContact O-N 3.29Å; E428-Y460 CarbonylContact C-O 3.55Å; E428-Y460 WeakPolarHBondContact CA-O 3.39Å; E428-Q517 PolarHBondContact OE1-NE2 2.91Å; E428-Q517 PolarHBondContact OE2-NE2 3.17Å
429L94.8Very high90.4Very high5 Ų538.2 Ų38.23%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-124.9126.5-175.3178.766.8000109.7L359 L363 F404 P426 M431 K459 Y460 Y514L359-L429 HydrophobicContact CD2-CD1 4.45Å; L359-L429 HydrophobicContact CD2-CD2 4.01Å; L363-L429 HydrophobicContact CD1-CD1 4.21Å; L363-L429 HydrophobicContact CD1-CD2 4.23Å; F404-L429 HydrophobicContact CD2-CD2 4.48Å; F404-L429 HydrophobicContact CE2-CD2 3.53Å; F404-L429 HydrophobicContact CZ-CD2 3.65Å; P426-L429 HydrophobicContact CG-CB 4.38Å; P426-L429 HydrophobicContact CG-CD1 4.28Å; L429-M431 HydrophobicContact CD2-CG 4.3Å; L429-M431 HydrophobicContact CD2-SD 3.71Å; L429-M431 HydrophobicContact CG-CG 4.34Å; L429-M431 HydrophobicContact CG-SD 4.04Å; L429-K459 WeakPolarHBondContact O-CA 3.41Å; L429-Y460 PolarHBondContact N-O 3.32Å; L429-Y460 PolarHBondContact O-N 2.95Å; L429-Y514 HydrophobicContact CB-CD1 4.04Å; L429-Y514 HydrophobicContact CB-CE1 3.76Å; L429-Y514 HydrophobicContact CD2-CE2 4.47Å
430D93.2Very high89.3Confident70 Ų7042.8 Ų42.837%0.37424%0.235SC..EExtended strand (participates in β ladder)trans-97116.3171-178.810.3000109.9T432D430-T432 WeakPolarHBondContact OD1-CB 3.36Å; D430-T432 PolarHBondContact OD1-N 3.3Å; D430-T432 PolarHBondContact OD1-OG1 3.48Å
431M94.2Very high88Confident2 Ų240.9 Ų40.91%0.0123%0.226CC..  trans-91.1-5.9179.9-70-63.8-68.600113.6L363 M395 L398 F404 L429 P433 F434 N458 Y460L363-M431 HydrophobicContact CD1-SD 3.88Å; L363-M431 HydrophobicContact CD2-CE 4.28Å; M395-M431 HydrophobicContact CE-CE 4.24Å; M395-M431 HydrophobicContact CG-CE 4.26Å; L398-M431 HydrophobicContact CD1-CB 3.55Å; L398-M431 HydrophobicContact CD1-CG 4.36Å; L398-M431 HydrophobicContact CD2-CB 4.19Å; L398-M431 HydrophobicContact CD2-CE 4Å; F404-M431 HydrophobicContact CE1-CE 4.19Å; F404-M431 HydrophobicContact CE1-SD 4.37Å; F404-M431 HydrophobicContact CZ-CE 4.06Å; F404-M431 HydrophobicContact CZ-SD 3.82Å; L429-M431 HydrophobicContact CD2-CG 4.3Å; L429-M431 HydrophobicContact CD2-SD 3.71Å; L429-M431 HydrophobicContact CG-CG 4.34Å; L429-M431 HydrophobicContact CG-SD 4.04Å; M431-P433 VanDerWaalsContact C-N 3.34Å; M431-F434 HydrophobicContact CE-CB 4.49Å; M431-F434 HydrophobicContact CE-CD2 4.17Å; M431-F434 PolarHBondContact O-N 2.71Å; M431-F434 HydrophobicContact SD-CD2 3.93Å; M431-F434 HydrophobicContact SD-CE2 4.41Å; M431-N458 HydrophobicContact CB-CB 4.41Å; M431-N458 PolarHBondContact N-O 3.11Å; M431-Y460 HydrophobicContact CB-CD2 4.39Å; M431-Y460 HydrophobicContact CB-CE2 4.2Å; M431-Y460 HydrophobicContact CG-CD2 3.77Å; M431-Y460 HydrophobicContact CG-CE2 3.83Å
432T91.4Very high86.8Confident29 Ų2947.3 Ų47.318%0.17825%0.245CC..G310 helixtrans-50.6-45.3-178.5-52.60000113.1D430 F434 M435 S438 N458D430-T432 WeakPolarHBondContact OD1-CB 3.36Å; D430-T432 PolarHBondContact OD1-N 3.3Å; D430-T432 PolarHBondContact OD1-OG1 3.48Å; T432-F434 PolarHBondContact O-N 3.44Å; T432-M435 WeakPolarHBondContact O-CB 3.37Å; T432-M435 WeakPolarHBondContact O-CG 3.32Å; T432-M435 PolarHBondContact O-N 3.32Å; T432-M435 VanDerWaalsContact O-N 3.14Å; T432-S438 PolarHBondContact O-OG 3.06Å; T432-N458 WeakPolarHBondContact OG1-CB 3.32Å; T432-N458 PolarHBondContact OG1-ND2 3.39Å
433P92.8Very high85.2Confident58 Ų5850.3 Ų50.338%0.37726%0.263SS..G310 helixtrans-62.2-16.1-177.9-23.735.7000115.2M431M431-P433 VanDerWaalsContact C-N 3.34Å
434F94.3Very high83.3Confident7 Ų756.2 Ų56.23%0.03130%0.295CS..G310 helixtrans-101.50.4-175.3-51.9-61.9000112.9T360 L363 R364 T367 M395 M431 T432T360-F434 HydrophobicContact CG2-CZ 4Å; L363-F434 HydrophobicContact CB-CD1 4.09Å; L363-F434 HydrophobicContact CB-CD2 4.22Å; L363-F434 HydrophobicContact CB-CE1 3.62Å; L363-F434 HydrophobicContact CB-CE2 3.78Å; L363-F434 HydrophobicContact CB-CG 4.37Å; L363-F434 HydrophobicContact CB-CZ 3.44Å; L363-F434 VanDerWaalsContact CB-CZ 3.44Å; L363-F434 HydrophobicContact CD1-CD2 4.27Å; L363-F434 HydrophobicContact CD1-CE2 3.8Å; L363-F434 HydrophobicContact CD1-CZ 4.25Å; L363-F434 HydrophobicContact CG-CE2 4.39Å; L363-F434 HydrophobicContact CG-CZ 4.48Å; R364-F434 HydrophobicContact CB-CE1 4.34Å; R364-F434 HydrophobicContact CG-CE1 3.68Å; R364-F434 HydrophobicContact CG-CZ 4.18Å; T367-F434 HydrophobicContact CG2-CB 4.05Å; T367-F434 HydrophobicContact CG2-CD1 4.04Å; T367-F434 HydrophobicContact CG2-CG 4.43Å; M395-F434 HydrophobicContact CG-CB 4.24Å; M395-F434 PolarHBondContact N-O 2.5Å; M431-F434 HydrophobicContact CE-CB 4.49Å; M431-F434 HydrophobicContact CE-CD2 4.17Å; M431-F434 PolarHBondContact O-N 2.71Å; M431-F434 HydrophobicContact SD-CD2 3.93Å; M431-F434 HydrophobicContact SD-CE2 4.41Å; T432-F434 PolarHBondContact O-N 3.44Å
435M93.6Very high80.9Confident20 Ų2057.1 Ų57.110%0.09931%0.311CS..BIsolated β-bridgetrans-76144.9179.2-63.1-60.7-67.800112.3M395 L398 T432 S437 S438M395-M435 HydrophobicContact CB-SD 3.58Å; M395-M435 VanDerWaalsContact CB-SD 3.58Å; M395-M435 CarbonylContact O-C 3.59Å; M395-M435 WeakPolarHBondContact O-CA 3.15Å; M395-M435 WeakPolarHBondContact O-CE 3.02Å; L398-M435 HydrophobicContact CD1-SD 3.6Å; L398-M435 VanDerWaalsContact CD1-SD 3.6Å; L398-M435 HydrophobicContact CD2-SD 3.93Å; L398-M435 HydrophobicContact CG-CE 4.26Å; L398-M435 HydrophobicContact CG-SD 3.53Å; L398-M435 VanDerWaalsContact CG-SD 3.53Å; T432-M435 WeakPolarHBondContact O-CB 3.37Å; T432-M435 WeakPolarHBondContact O-CG 3.32Å; T432-M435 PolarHBondContact O-N 3.32Å; T432-M435 VanDerWaalsContact O-N 3.14Å; M435-S437 VanDerWaalsContact C-N 3.29Å; M435-S437 PolarHBondContact O-N 3.05Å; M435-S438 WeakPolarHBondContact O-CB 3.29Å; M435-S438 PolarHBondContact O-N 3.19Å
436A89.6Confident78.4Confident2 Ų262.5 Ų62.52%0.01734%0.336CS..Hα-helixtrans-59.9-38175.300000112.3Q303 T394 M395 S438 K439 E440Q303-A436 HydrophobicContact CB-CB 4.47Å; T394-A436 WeakPolarHBondContact OG1-CB 3.42Å; M395-A436 PolarHBondContact O-N 2.64Å; A436-S438 VanDerWaalsContact C-N 3.29Å; A436-S438 PolarHBondContact O-N 3.43Å; A436-K439 WeakPolarHBondContact O-CB 3.27Å; A436-K439 PolarHBondContact O-N 2.91Å; A436-K439 VanDerWaalsContact O-N 3.09Å; A436-E440 PolarHBondContact O-N 3.04Å
437S84.7Confident76Confident69 Ų6970.8 Ų70.848%0.48336%0.363SS..Hα-helixtrans-62.8-33.2177.453.10000113.1M435 K439 E440 S441M435-S437 VanDerWaalsContact C-N 3.29Å; M435-S437 PolarHBondContact O-N 3.05Å; S437-K439 PolarHBondContact O-N 3.45Å; S437-E440 PolarHBondContact O-N 2.79Å; S437-S441 PolarHBondContact O-N 3.37Å; S437-S441 VanDerWaalsContact O-N 3.14Å
438S78.1Confident73.3Confident20 Ų2077.4 Ų77.414%0.1439%0.393CS..Hα-helixtrans-68.8-22.8176.2-58.40000112.9T432 M435 A436 R442T432-S438 PolarHBondContact O-OG 3.06Å; M435-S438 WeakPolarHBondContact O-CB 3.29Å; M435-S438 PolarHBondContact O-N 3.19Å; A436-S438 VanDerWaalsContact C-N 3.29Å; A436-S438 PolarHBondContact O-N 3.43Å; S438-R442 WeakPolarHBondContact O-CG 3.16Å
439K68.4Low70.5Confident46 Ų4678.9 Ų78.920%0.240%0.399CS..Hα-helixtrans-75.6-46.1171.1174.1-172.8169.3-179.30111.3D305 Q392 A436 S437 S441 R442 M443D305-K439 IonicContact OD2-NZ 3.13Å; D305-K439 PolarHBondContact OD2-NZ 2.99Å; Q392-K439 VanDerWaalsContact OE1-CE 3.26Å; A436-K439 WeakPolarHBondContact O-CB 3.27Å; A436-K439 PolarHBondContact O-N 2.91Å; A436-K439 VanDerWaalsContact O-N 3.09Å; S437-K439 PolarHBondContact O-N 3.45Å; K439-S441 VanDerWaalsContact C-N 3.31Å; K439-S441 PolarHBondContact O-N 2.82Å; K439-R442 PolarHBondContact O-N 3.46Å; K439-R442 VanDerWaalsContact O-N 3.11Å; K439-M443 HydrophobicContact CG-SD 4.38Å; K439-M443 PolarHBondContact O-N 2.83Å; K439-M443 VanDerWaalsContact O-N 3.16Å
440E62.7Low67.6Low98 Ų9882.4 Ų82.446%0.45843%0.425SS..Hα-helixtrans-58.3-42.5179.6-67.7171.2-178.500111.8A436 S437 R442 M443 N444A436-E440 PolarHBondContact O-N 3.04Å; S437-E440 PolarHBondContact O-N 2.79Å; E440-R442 VanDerWaalsContact C-N 3.34Å; E440-R442 PolarHBondContact O-N 3.1Å; E440-M443 PolarHBondContact O-N 3.3Å; E440-N444 PolarHBondContact O-N 2.95Å
441S59.9Low65Low51 Ų5183.5 Ų83.536%0.35743%0.433SS..Hα-helixtrans-57.5-41.6174.31600000113S437 K439S437-S441 PolarHBondContact O-N 3.37Å; S437-S441 VanDerWaalsContact O-N 3.14Å; K439-S441 VanDerWaalsContact C-N 3.31Å; K439-S441 PolarHBondContact O-N 2.82Å
442R62.1Low62.3Low187 Ų18788.6 Ų88.671%0.70646%0.461SS*.Hα-helixtrans-72.7-33-178.8-69.8176-175.9178.74.8113.2S438 K439 E440S438-R442 WeakPolarHBondContact O-CG 3.16Å; K439-R442 PolarHBondContact O-N 3.46Å; K439-R442 VanDerWaalsContact O-N 3.11Å; E440-R442 VanDerWaalsContact C-N 3.34Å; E440-R442 PolarHBondContact O-N 3.1Å
443M58.8Low59.8Low146 Ų14693.7 Ų93.772%0.71949%0.491SS*.Hα-helixtrans-76.8-29.9-179.5-76.7-179.169.400113.1K439 E440 G445K439-M443 HydrophobicContact CG-SD 4.38Å; K439-M443 PolarHBondContact O-N 2.83Å; K439-M443 VanDerWaalsContact O-N 3.16Å; E440-M443 PolarHBondContact O-N 3.3Å; M443-G445 VanDerWaalsContact C-N 3.27Å; M443-G445 PolarHBondContact O-N 3.19Å
444N54.3Low57.3Low124 Ų12497.6 Ų97.666%0.66351%0.508SS*.THydrogen-bonded Turntrans-83.610.4-175.7-72.5-16.8000114.8E440 Q446E440-N444 PolarHBondContact O-N 2.95Å; N444-Q446 PolarHBondContact O-N 3.34Å
445G45.3Very low55.1Low60 Ų60101.1 Ų101.162%0.61953%0.528SS*.THydrogen-bonded Turntrans63.77.1174.200000115.4M443 Y447M443-G445 VanDerWaalsContact C-N 3.27Å; M443-G445 PolarHBondContact O-N 3.19Å; G445-Y447 PolarHBondContact O-N 3.19Å
446Q45Very low53.3Low115 Ų115102.1 Ų102.154%0.53753%0.533SS..  trans-77.874.9172.2-73.8-174.6-1.100109.6N444 Q448N444-Q446 PolarHBondContact O-N 3.34Å; Q446-Q448 PolarHBondContact O-N 3.38Å
447Y43.4Very low52.4Low217 Ų217103.2 Ų103.285%0.85154%0.539SS*.THydrogen-bonded Turntrans-70.345.9163.7-101.2-87.3000111.1G445G445-Y447 PolarHBondContact O-N 3.19Å
448Q37.8Very low52.5Low189 Ų189101 Ų10188%0.88352%0.522SS*.THydrogen-bonded Turntrans17852.5171-105153.28.400112.5Q446Q446-Q448 PolarHBondContact O-N 3.38Å
449Q36.3Very low53.1Low142 Ų142103.2 Ų103.266%0.66453%0.529SS*.  trans-110.9108.2137.5-96.4176-11.700105.1V451Q449-V451 VanDerWaalsContact C-N 3.32Å; Q449-V451 PolarHBondContact O-N 3.13Å
450S34.2Very low54.3Low79 Ų79101 Ų10155%0.55252%0.519SS*.  trans-46.1106.4160.735.30000106.1D452S450-D452 VanDerWaalsContact C-N 3.34Å; S450-D452 PolarHBondContact O-N 2.99Å
451V38.4Very low55.8Low92 Ų9296.8 Ų96.856%0.55850%0.5SS*.  trans-53.6112163.5-156.80000102.9Q449 V453Q449-V451 VanDerWaalsContact C-N 3.32Å; Q449-V451 PolarHBondContact O-N 3.13Å; V451-V453 WeakPolarHBondContact O-CG2 3.36Å; V451-V453 PolarHBondContact O-N 3.14Å
452D37.7Very low57.6Low110 Ų11094.3 Ų94.359%0.58848%0.483SS*.  trans-43.5106.9-174.2-92.2-48.9000108.1S450 L454 N455S450-D452 VanDerWaalsContact C-N 3.34Å; S450-D452 PolarHBondContact O-N 2.99Å; D452-L454 PolarHBondContact O-N 3.04Å; D452-N455 HydrophobicContact CB-CB 4.35Å; D452-N455 WeakPolarHBondContact O-CB 3.43Å; D452-N455 PolarHBondContact O-N 2.96Å
453V38.8Very low59.2Low135 Ų13585.7 Ų85.782%0.81845%0.451SS*.THydrogen-bonded Turntrans-66.3-1.7179-174.70000110.2V451V451-V453 WeakPolarHBondContact O-CG2 3.36Å; V451-V453 PolarHBondContact O-N 3.14Å
454L39Very low61.1Low140 Ų14078.8 Ų78.873%0.73342%0.417SS*.THydrogen-bonded Turntrans-92.8-7.3172-75.6152.8000114D452 N456D452-L454 PolarHBondContact O-N 3.04Å; L454-N456 PolarHBondContact O-N 2.91Å
455N48.3Very low63.2Low82 Ų8272.9 Ų72.944%0.43939%0.385SS..  trans-78.772175.8-137.260.6000110.2D452 D457D452-N455 HydrophobicContact CB-CB 4.35Å; D452-N455 WeakPolarHBondContact O-CB 3.43Å; D452-N455 PolarHBondContact O-N 2.96Å; N455-D457 PolarHBondContact ND2-OD2 2.91Å; N455-D457 PolarHBondContact O-N 3.36Å; N455-D457 VanDerWaalsContact O-N 3.1Å; N455-D457 PolarHBondContact OD1-OD2 3.02Å
456N56.2Low65.7Low40 Ų4070 Ų7021%0.21436%0.356CS..G310 helixtrans-68.73.6176.6-83.1-14.6000113.3L454 N458 K459 F518L454-N456 PolarHBondContact O-N 2.91Å; N456-N458 PolarHBondContact O-N 3.37Å; N456-N458 VanDerWaalsContact O-N 3.11Å; N456-K459 HydrophobicContact CB-CD 4.38Å; N456-K459 WeakPolarHBondContact O-CB 3.29Å; N456-K459 PolarHBondContact O-N 3.23Å; N456-K459 WeakPolarHBondContact OD1-CD 3.1Å; N456-K459 WeakPolarHBondContact OD1-CE 3.24Å; N456-K459 PolarHBondContact OD1-NZ 3.16Å; N456-F518 HydrophobicContact CB-CD2 3.3Å; N456-F518 HydrophobicContact CB-CE2 3.36Å; N456-F518 HydrophobicContact CB-CG 4.1Å; N456-F518 HydrophobicContact CB-CZ 4.17Å; N456-F518 WeakPolarHBondContact ND2-CE2 3.16Å; N456-F518 VanDerWaalsContact ND2-CZ 3.35Å; N456-F518 WeakPolarHBondContact ND2-CZ 3.44Å
457D70Confident68.2Low26 Ų2664.9 Ų64.914%0.13933%0.332CS..G310 helixtrans-65.7-18.4-172.5-50.7-34.5000113.8N455 K516N455-D457 PolarHBondContact ND2-OD2 2.91Å; N455-D457 PolarHBondContact O-N 3.36Å; N455-D457 VanDerWaalsContact O-N 3.1Å; N455-D457 PolarHBondContact OD1-OD2 3.02Å; D457-K516 WeakPolarHBondContact O-CE 3.35Å
458N88.1Confident70.6Confident22 Ų2255.1 Ų55.112%0.11829%0.294CS..G310 helixtrans-102.27.4178.2-59.3-31.6000113.2L398 M431 T432 N456 Y460L398-N458 HydrophobicContact CD1-CB 4.01Å; L398-N458 WeakPolarHBondContact CD1-OD1 3.35Å; M431-N458 HydrophobicContact CB-CB 4.41Å; M431-N458 PolarHBondContact N-O 3.11Å; T432-N458 WeakPolarHBondContact OG1-CB 3.32Å; T432-N458 PolarHBondContact OG1-ND2 3.39Å; N456-N458 PolarHBondContact O-N 3.37Å; N456-N458 VanDerWaalsContact O-N 3.11Å; N458-Y460 VanDerWaalsContact O-CD2 3.27Å; N458-Y460 WeakPolarHBondContact O-CD2 3Å
459K90.3Very high73.2Confident67 Ų6751.1 Ų51.129%0.29128%0.275SS..EExtended strand (participates in β ladder)trans-89.7138175.8-68-174.1-178.6166.90111.3L429 N456 K516 Q517L429-K459 WeakPolarHBondContact O-CA 3.41Å; N456-K459 HydrophobicContact CB-CD 4.38Å; N456-K459 WeakPolarHBondContact O-CB 3.29Å; N456-K459 PolarHBondContact O-N 3.23Å; N456-K459 WeakPolarHBondContact OD1-CD 3.1Å; N456-K459 WeakPolarHBondContact OD1-CE 3.24Å; N456-K459 PolarHBondContact OD1-NZ 3.16Å; K459-K516 WeakPolarHBondContact O-CA 3.42Å; K459-Q517 HydrophobicContact CB-CB 4.43Å; K459-Q517 HydrophobicContact CB-CG 4.3Å; K459-Q517 PolarHBondContact O-N 2.86Å
460Y94Very high75.6Confident0 Ų046.4 Ų46.40%027%0.265CS..EExtended strand (participates in β ladder)trans-127.2147.3-173.5-80-95.6000111.4L398 P399 A402 E428 L429 M431 N458 H515 K516L398-Y460 WeakPolarHBondContact CB-OH 3.38Å; L398-Y460 HydrophobicContact CD1-CE2 3.99Å; P399-Y460 PolarHBondContact O-OH 2.94Å; A402-Y460 HydrophobicContact CB-CD1 4.14Å; A402-Y460 HydrophobicContact CB-CE1 3.82Å; E428-Y460 CarbonylContact C-O 3.55Å; E428-Y460 WeakPolarHBondContact CA-O 3.39Å; L429-Y460 PolarHBondContact N-O 3.32Å; L429-Y460 PolarHBondContact O-N 2.95Å; M431-Y460 HydrophobicContact CB-CD2 4.39Å; M431-Y460 HydrophobicContact CB-CE2 4.2Å; M431-Y460 HydrophobicContact CG-CD2 3.77Å; M431-Y460 HydrophobicContact CG-CE2 3.83Å; N458-Y460 VanDerWaalsContact O-CD2 3.27Å; N458-Y460 WeakPolarHBondContact O-CD2 3Å; Y460-H515 CarbonylContact C-O 3.56Å; Y460-H515 VanDerWaalsContact CA-O 3.29Å; Y460-H515 WeakPolarHBondContact CA-O 3.31Å; Y460-H515 VanDerWaalsContact CD1-C 3.45Å; Y460-K516 HydrophobicContact CD1-CG 4.23Å; Y460-K516 HydrophobicContact CE1-CB 4.38Å; Y460-K516 HydrophobicContact CE1-CG 3.51Å; Y460-K516 HydrophobicContact CE2-CG 3.99Å; Y460-K516 WeakPolarHBondContact OH-CE 3.28Å; Y460-K516 WeakPolarHBondContact OH-CG 3.47Å
461S94Very high78.1Confident8 Ų846.7 Ų46.76%0.05626%0.263CS..EExtended strand (participates in β ladder)trans-116.8128.4174.2-71.50000110.5F463 Y514 H515 Q517S461-F463 PolarHBondContact O-N 3.24Å; S461-Y514 WeakPolarHBondContact O-CA 3.38Å; S461-H515 PolarHBondContact N-O 2.88Å; S461-H515 PolarHBondContact O-CD2 3.05Å; S461-H515 PolarHBondContact O-N 2.89Å; S461-Q517 VanDerWaalsContact OG-CG 3.29Å; S461-Q517 WeakPolarHBondContact OG-CG 3.38Å; S461-Q517 PolarHBondContact OG-NE2 2.95Å; S461-Q517 VanDerWaalsContact OG-NE2 3.07Å
462L97Very high80Confident0 Ų044.7 Ų44.70%025%0.249CC..EExtended strand (participates in β ladder)trans-65.1132.3175.1-172.472.5000109.1F425 L427 V465 R482 W488 V504 L512 Y514F425-L462 HydrophobicContact CD2-CD2 3.86Å; F425-L462 HydrophobicContact CE2-CD2 3.9Å; L427-L462 HydrophobicContact CD2-CD2 4.29Å; L427-L462 WeakPolarHBondContact O-CB 3.38Å; L427-L462 PolarHBondContact O-N 3.38Å; L462-V465 HydrophobicContact CD1-CG2 4.06Å; L462-V465 HydrophobicContact CD2-CG2 3.71Å; L462-V465 HydrophobicContact CG-CG2 4.16Å; L462-R482 VanDerWaalsContact O-CD 3.23Å; L462-R482 WeakPolarHBondContact O-CD 3.36Å; L462-R482 PolarHBondContact O-NH1 3.2Å; L462-W488 HydrophobicContact CB-CH2 4.45Å; L462-W488 HydrophobicContact CD2-CH2 3.94Å; L462-W488 HydrophobicContact CD2-CZ2 4.32Å; L462-W488 HydrophobicContact CG-CH2 3.89Å; L462-W488 HydrophobicContact CG-CZ2 4.46Å; L462-V504 HydrophobicContact CD2-CG1 4.39Å; L462-L512 HydrophobicContact CD1-CB 4.26Å; L462-Y514 HydrophobicContact CB-CD1 3.94Å; L462-Y514 HydrophobicContact CB-CE1 3.53Å; L462-Y514 HydrophobicContact CD1-CD1 4.37Å; L462-Y514 HydrophobicContact CD1-CD2 3.85Å; L462-Y514 HydrophobicContact CD1-CE1 3.97Å; L462-Y514 HydrophobicContact CD1-CE2 3.42Å; L462-Y514 VanDerWaalsContact CD1-CE2 3.42Å; L462-Y514 HydrophobicContact CD1-CG 4.31Å; L462-Y514 VanDerWaalsContact CD1-CZ 3.46Å; L462-Y514 HydrophobicContact CG-CE1 4.32Å; L462-Y514 VanDerWaalsContact N-CD1 3.26Å
463F96.4Very high81.8Confident6 Ų647.4 Ų47.43%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-134.4-17.7176.477.2-85.2000114.7V401 S461 R482 F513 H515V401-F463 HydrophobicContact CG1-CE1 3.91Å; V401-F463 HydrophobicContact CG1-CZ 4Å; S461-F463 PolarHBondContact O-N 3.24Å; F463-R482 HydrophobicContact CB-CB 4.14Å; F463-R482 WeakPolarHBondContact O-CB 3.36Å; F463-R482 PolarHBondContact O-N 3.2Å; F463-F513 HydrophobicContact CD1-CB 4.18Å; F463-F513 VanDerWaalsContact CD1-O 3.25Å; F463-F513 WeakPolarHBondContact CD1-O 3.32Å; F463-F513 HydrophobicContact CE1-CB 3.57Å; F463-F513 HydrophobicContact CE2-CB 4.24Å; F463-F513 HydrophobicContact CZ-CB 3.6Å; F463-F513 HydrophobicContact CZ-CG 4.41Å; F463-F513 PolarHBondContact N-O 3.24Å; F463-H515 HydrophobicContact CD1-CB 4.11Å; F463-H515 AromaticContact CD1-CD2 3.58Å; F463-H515 HydrophobicContact CE1-CB 4.16Å; F463-H515 AromaticContact CG-CD2 3.91Å
464A97.9Very high84Confident0 Ų044.2 Ų44.20%024%0.242CC..EExtended strand (participates in β ladder)trans-143.9143.6169.700000112.4A187 F480 I481 F513A187-A464 HydrophobicContact CB-CB 4.01Å; A464-F480 CarbonylContact C-O 3.52Å; A464-F480 WeakPolarHBondContact CA-O 3.2Å; A464-I481 HydrophobicContact CB-CD1 3.61Å; A464-F513 HydrophobicContact CB-CB 3.99Å; A464-F513 HydrophobicContact CB-CD2 4.01Å; A464-F513 HydrophobicContact CB-CG 4.28Å; A464-F513 PolarHBondContact N-O 2.66Å; A464-F513 PolarHBondContact O-N 3.06Å
465V98.5Very high86.4Confident0 Ų038.3 Ų38.30%022%0.215CC..EExtended strand (participates in β ladder)trans-128.8120.6173.8-176.50000107.2F425 L462 N467 S479 F480 V504 L511 L512F425-V465 HydrophobicContact CE2-CG1 4.4Å; F425-V465 HydrophobicContact CE2-CG2 3.85Å; F425-V465 HydrophobicContact CZ-CG1 3.96Å; F425-V465 HydrophobicContact CZ-CG2 4.23Å; L462-V465 HydrophobicContact CD1-CG2 4.06Å; L462-V465 HydrophobicContact CD2-CG2 3.71Å; L462-V465 HydrophobicContact CG-CG2 4.16Å; V465-N467 VanDerWaalsContact CG1-OD1 3.31Å; V465-N467 WeakPolarHBondContact CG1-OD1 3.47Å; V465-S479 CarbonylContact O-C 3.54Å; V465-S479 WeakPolarHBondContact O-CA 3.49Å; V465-F480 HydrophobicContact CB-CB 4.3Å; V465-F480 PolarHBondContact N-O 2.87Å; V465-F480 PolarHBondContact O-N 2.89Å; V465-V504 HydrophobicContact CB-CG1 4.49Å; V465-V504 HydrophobicContact CG2-CG1 3.7Å; V465-L511 WeakPolarHBondContact CA-O 3.04Å; V465-L512 HydrophobicContact CB-CD2 4.48Å; V465-L512 HydrophobicContact CG1-CD2 3.83Å; V465-L512 HydrophobicContact CG2-CD2 4.25Å
466V98.4Very high88.7Confident0 Ų036.7 Ų36.70%021%0.205CC..EExtended strand (participates in β ladder)trans-95.4133.4169.4175.60000107.8C183 I184 A256 Y477 T478 Y510 L511 F513C183-V466 HydrophobicContact CB-CG1 4Å; C183-V466 HydrophobicContact CB-CG2 4.24Å; C183-V466 WeakPolarHBondContact SG-CG1 3.45Å; I184-V466 HydrophobicContact CD1-CG2 4.3Å; A256-V466 HydrophobicContact CB-CG1 4.49Å; V466-Y477 HydrophobicContact CG1-CD1 3.85Å; V466-T478 CarbonylContact C-O 3.55Å; V466-T478 WeakPolarHBondContact CA-O 3.35Å; V466-Y510 HydrophobicContact CG1-CD1 4.49Å; V466-Y510 WeakPolarHBondContact O-CA 3.36Å; V466-Y510 WeakPolarHBondContact O-CB 3.5Å; V466-Y510 PolarHBondContact O-N 2.82Å; V466-L511 HydrophobicContact CB-CB 3.96Å; V466-L511 HydrophobicContact CB-CD1 4.33Å; V466-L511 HydrophobicContact CB-CG 4.45Å; V466-L511 HydrophobicContact CG1-CD1 4.46Å; V466-L511 HydrophobicContact CG2-CB 4.27Å; V466-L511 HydrophobicContact CG2-CD1 4.39Å; V466-L511 PolarHBondContact N-O 2.8Å; V466-L511 PolarHBondContact O-N 2.86Å; V466-F513 HydrophobicContact CG2-CE2 3.92Å
467N96.9Very high90.6Very high8 Ų835.3 Ų35.34%0.04320%0.197CC..EExtended strand (participates in β ladder)trans-117.7152-180-63.2-33.4000110.2V465 Y477 T478 F480 S507 E508 G509V465-N467 VanDerWaalsContact CG1-OD1 3.31Å; V465-N467 WeakPolarHBondContact CG1-OD1 3.47Å; N467-Y477 VanDerWaalsContact O-CA 3.29Å; N467-Y477 WeakPolarHBondContact O-CA 3.48Å; N467-Y477 WeakPolarHBondContact O-CD1 3.31Å; N467-T478 PolarHBondContact N-O 2.93Å; N467-T478 PolarHBondContact O-N 3.4Å; N467-T478 VanDerWaalsContact O-N 3.07Å; N467-F480 VanDerWaalsContact ND2-CD2 3.26Å; N467-F480 WeakPolarHBondContact ND2-CD2 3.42Å; N467-F480 WeakPolarHBondContact ND2-CE2 3.37Å; N467-S507 WeakPolarHBondContact ND2-CB 3.32Å; N467-S507 PolarHBondContact ND2-OG 2.8Å; N467-S507 PolarHBondContact OD1-OG 3.23Å; N467-E508 PolarHBondContact OD1-O 2.95Å; N467-G509 WeakPolarHBondContact OD1-CA 3.44Å; N467-G509 PolarHBondContact OD1-N 3.42Å
468H94.6Very high91.9Very high12 Ų1234.2 Ų34.26%0.05619%0.191CC..EExtended strand (participates in β ladder)trans-127116.1175-178.5-99.9000111.1F409 K418 T471 G475 Y477 Y510F409-H468 AromaticContact CE1-ND1 3.93Å; F409-H468 AromaticContact CZ-CE1 3.91Å; F409-H468 AromaticContact CZ-CG 3.96Å; F409-H468 AromaticContact CZ-ND1 3.54Å; K418-H468 PolarHBondContact NZ-O 3.39Å; H468-T471 PolarHBondContact CE1-O 3.05Å; H468-T471 VanDerWaalsContact CE1-O 3.23Å; H468-G475 WeakPolarHBondContact NE2-CA 3.36Å; H468-Y477 HydrophobicContact CB-CD1 3.89Å; H468-Y477 HydrophobicContact CB-CE1 3.61Å; H468-Y477 AromaticContact CD2-CD1 3.84Å; H468-Y477 AromaticContact CD2-CD2 3.83Å; H468-Y477 AromaticContact CD2-CE1 3.53Å; H468-Y477 AromaticContact CD2-CE2 3.53Å; H468-Y477 AromaticContact CD2-CG 4Å; H468-Y477 AromaticContact CD2-CZ 3.38Å; H468-Y477 AromaticContact CG-CE1 3.83Å; H468-Y477 AromaticContact CG-CZ 3.99Å; H468-Y510 HydrophobicContact CB-CG 4.5Å
469Q91.2Very high92.4Very high104 Ų10433.1 Ų33.149%0.48619%0.185SC..EExtended strand (participates in β ladder)trans-101.4140.2174.4-62.1-178.93.700109.6G475 H476Q469-G475 CarbonylContact O-C 3.46Å; Q469-G475 WeakPolarHBondContact O-CA 3.43Å; Q469-H476 PolarHBondContact N-O 2.9Å; Q469-H476 PolarHBondContact O-N 3.42Å
470G88.6Confident92.8Very high43 Ų4330.7 Ų30.744%0.44317%0.174SC..EExtended strand (participates in β ladder)trans112.1-166-177.300000114K418 S474K418-G470 WeakPolarHBondContact CD-O 3.5Å; K418-G470 PolarHBondContact NZ-O 2.97Å; G470-S474 CarbonylContact C-O 3.45Å; G470-S474 WeakPolarHBondContact CA-O 3.47Å
471T85.1Confident93Very high85 Ų8530.7 Ų30.752%0.52117%0.174SC..  trans-96-170.9-175.670.30000111.4H468 E473 S474H468-T471 PolarHBondContact CE1-O 3.05Å; H468-T471 VanDerWaalsContact CE1-O 3.23Å; T471-E473 PolarHBondContact OG1-N 2.9Å; T471-S474 PolarHBondContact N-O 3.18Å; T471-S474 PolarHBondContact OG1-N 2.88Å; T471-S474 PolarHBondContact OG1-O 3.05Å
472L78.1Confident92.9Very high51 Ų5132.5 Ų32.527%0.26718%0.18SC..SBendtrans-68.1-33.8173.6-83.5152.8000113.7F409 R416F409-L472 HydrophobicContact CB-CD2 3.65Å; F409-L472 HydrophobicContact CD1-CD2 3.37Å; F409-L472 HydrophobicContact CD1-CG 4.04Å; F409-L472 HydrophobicContact CE1-CD2 4.32Å; F409-L472 HydrophobicContact CG-CD2 3.85Å; R416-L472 HydrophobicContact CB-CD1 3.96Å
473E77Confident92.4Very high166 Ų16633.4 Ų33.478%0.77618%0.184SC*.SBendtrans-98-20.6-170.5-63179.2172.100112.3T471T471-E473 PolarHBondContact OG1-N 2.9Å
474S83.6Confident91.4Very high69 Ų6937.1 Ų37.148%0.48320%0.201SC..SBendtrans-145.6130.7177.7-173.50000111.2Q253 G470 T471Q253-S474 VanDerWaalsContact OE1-CA 3.25Å; G470-S474 CarbonylContact C-O 3.45Å; G470-S474 WeakPolarHBondContact CA-O 3.47Å; T471-S474 PolarHBondContact N-O 3.18Å; T471-S474 PolarHBondContact OG1-N 2.88Å; T471-S474 PolarHBondContact OG1-O 3.05Å
475G90.4Very high90.1Very high15 Ų1544 Ų4416%0.15523%0.231CC..EExtended strand (participates in β ladder)trans-166.6-171.8173.100000114.4Q253 H468 Q469Q253-G475 PolarHBondContact NE2-O 3.23Å; Q253-G475 VanDerWaalsContact OE1-N 3.09Å; H468-G475 WeakPolarHBondContact NE2-CA 3.36Å; Q469-G475 CarbonylContact O-C 3.46Å; Q469-G475 WeakPolarHBondContact O-CA 3.43Å
476H95.5Very high89.2Confident48 Ų4848.3 Ų48.322%0.22226%0.255CS..EExtended strand (participates in β ladder)trans-138.6126.5-177.5-172.448.4000110.3C179 Q469 D492 D493C179-H476 VanDerWaalsContact CB-CE1 3.5Å; C179-H476 WeakPolarHBondContact CB-CE1 3.48Å; C179-H476 WeakPolarHBondContact CB-ND1 3.49Å; C179-H476 PolarHBondContact SG-ND1 2.78Å; C179-H476 VanDerWaalsContact SG-ND1 3.44Å; Q469-H476 PolarHBondContact N-O 2.9Å; Q469-H476 PolarHBondContact O-N 3.42Å; H476-D492 IonicContact CD2-OD1 3.85Å; H476-D492 IonicContact CE1-OD1 2.81Å; H476-D492 IonicContact NE2-OD1 3.56Å; H476-D492 PolarHBondContact NE2-OD1 3.09Å; H476-D493 IonicContact CE1-OD2 2.75Å; H476-D493 PolarHBondContact CE1-OD2 3.26Å
477Y97.2Very high88.8Confident12 Ų1251.5 Ų51.55%0.04727%0.269CS..EExtended strand (participates in β ladder)trans-93.2135.3175.8-72.6-82.4000110.9C179 F180 A256 V466 N467 H468 Y510C179-Y477 PolarHBondContact SG-N 2.86Å; F180-Y477 HydrophobicContact CB-CD2 3.58Å; F180-Y477 HydrophobicContact CB-CE2 3.79Å; F180-Y477 HydrophobicContact CB-CG 4.38Å; A256-Y477 HydrophobicContact CB-CD1 3.78Å; A256-Y477 HydrophobicContact CB-CD2 4.38Å; A256-Y477 HydrophobicContact CB-CE1 3.54Å; A256-Y477 HydrophobicContact CB-CE2 4.16Å; A256-Y477 HydrophobicContact CB-CG 4.19Å; A256-Y477 PolarHBondContact N-OH 2.74Å; V466-Y477 HydrophobicContact CG1-CD1 3.85Å; N467-Y477 VanDerWaalsContact O-CA 3.29Å; N467-Y477 WeakPolarHBondContact O-CA 3.48Å; N467-Y477 WeakPolarHBondContact O-CD1 3.31Å; H468-Y477 HydrophobicContact CB-CD1 3.89Å; H468-Y477 HydrophobicContact CB-CE1 3.61Å; H468-Y477 AromaticContact CD2-CD1 3.84Å; H468-Y477 AromaticContact CD2-CD2 3.83Å; H468-Y477 AromaticContact CD2-CE1 3.53Å; H468-Y477 AromaticContact CD2-CE2 3.53Å; H468-Y477 AromaticContact CD2-CG 4Å; H468-Y477 AromaticContact CD2-CZ 3.38Å; H468-Y477 AromaticContact CG-CE1 3.83Å; H468-Y477 AromaticContact CG-CZ 3.99Å; Y477-Y510 HydrophobicContact CD1-CD1 4.4Å; Y477-Y510 AromaticContact CE1-CD1 3.57Å; Y477-Y510 HydrophobicContact CE1-CD1 3.57Å; Y477-Y510 AromaticContact CE1-CE1 3.8Å; Y477-Y510 HydrophobicContact CE1-CE1 3.8Å; Y477-Y510 HydrophobicContact CE1-CG 4.37Å
478T98Very high88.7Confident2 Ų251.3 Ų51.31%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-131162.8171.257.40000109V466 N467 D492V466-T478 CarbonylContact C-O 3.55Å; V466-T478 WeakPolarHBondContact CA-O 3.35Å; N467-T478 PolarHBondContact N-O 2.93Å; N467-T478 PolarHBondContact O-N 3.4Å; N467-T478 VanDerWaalsContact O-N 3.07Å; T478-D492 HydrophobicContact CG2-CB 4.2Å
479S98.3Very high88.8Confident0 Ų051.8 Ų51.80%027%0.27CS..EExtended strand (participates in β ladder)trans-131.6146.8172.656.50000112.9V465 K490 C491V465-S479 CarbonylContact O-C 3.54Å; V465-S479 WeakPolarHBondContact O-CA 3.49Å; S479-K490 CarbonylContact O-C 3.45Å; S479-K490 WeakPolarHBondContact O-CA 3.37Å; S479-C491 PolarHBondContact N-O 3.09Å; S479-C491 PolarHBondContact O-N 3.39Å
480F98.4Very high89.1Confident15 Ų1549.3 Ų49.37%0.06626%0.258CS..EExtended strand (participates in β ladder)trans-100.6131.9162.5-69.3-75.7000109A464 V465 N467 W488 F489 K490 A499 D503 V504A464-F480 CarbonylContact C-O 3.52Å; A464-F480 WeakPolarHBondContact CA-O 3.2Å; V465-F480 HydrophobicContact CB-CB 4.3Å; V465-F480 PolarHBondContact N-O 2.87Å; V465-F480 PolarHBondContact O-N 2.89Å; N467-F480 VanDerWaalsContact ND2-CD2 3.26Å; N467-F480 WeakPolarHBondContact ND2-CD2 3.42Å; N467-F480 WeakPolarHBondContact ND2-CE2 3.37Å; F480-W488 HydrophobicContact CB-CE3 4.01Å; F480-W488 HydrophobicContact CB-CZ3 4.2Å; F480-F489 CarbonylContact C-O 2.86Å; F480-F489 VanDerWaalsContact CA-O 3.27Å; F480-F489 WeakPolarHBondContact CA-O 2.96Å; F480-K490 HydrophobicContact CD1-CB 3.82Å; F480-K490 HydrophobicContact CD1-CG 4.25Å; F480-K490 HydrophobicContact CE1-CB 3.59Å; F480-K490 HydrophobicContact CE1-CD 4.3Å; F480-K490 HydrophobicContact CE1-CG 3.89Å; F480-K490 HydrophobicContact CZ-CB 4.48Å; F480-K490 HydrophobicContact CZ-CD 4.42Å; F480-K490 HydrophobicContact CZ-CG 4.32Å; F480-A499 HydrophobicContact CD1-CB 3.71Å; F480-A499 HydrophobicContact CE1-CB 3.56Å; F480-D503 HydrophobicContact CE1-CB 4.42Å; F480-D503 HydrophobicContact CZ-CB 4.38Å; F480-V504 HydrophobicContact CB-CG1 4.17Å; F480-V504 HydrophobicContact CB-CG2 3.92Å; F480-V504 HydrophobicContact CD1-CG2 3.8Å; F480-V504 HydrophobicContact CD2-CG2 4.38Å; F480-V504 HydrophobicContact CE1-CG2 4.35Å; F480-V504 HydrophobicContact CG-CB 4.46Å; F480-V504 HydrophobicContact CG-CG1 4.44Å; F480-V504 HydrophobicContact CG-CG2 3.8Å
481I96.8Very high89.5Confident0 Ų047.5 Ų47.50%024%0.238CC..EExtended strand (participates in β ladder)trans-124129.8-177.9-57.3-61.1000109.4Q186 H190 A464 W488 F489Q186-I481 HydrophobicContact CB-CD1 4.01Å; Q186-I481 HydrophobicContact CB-CG1 4.13Å; H190-I481 HydrophobicContact CB-CG2 3.64Å; H190-I481 VanDerWaalsContact CD2-CG2 3.43Å; H190-I481 WeakPolarHBondContact CD2-CG2 3.43Å; A464-I481 HydrophobicContact CB-CD1 3.61Å; I481-W488 VanDerWaalsContact C-CE3 3.48Å; I481-W488 WeakPolarHBondContact O-CA 3.32Å; I481-F489 PolarHBondContact N-O 3.4Å; I481-F489 PolarHBondContact O-N 3.11Å
482R93.8Very high90.1Very high46 Ų4645.5 Ų45.517%0.17422%0.224CC..EExtended strand (participates in β ladder)trans-84123.4170.5-170.2177.1174.4172.1-2.3108.9L462 F463 D486 W488L462-R482 VanDerWaalsContact O-CD 3.23Å; L462-R482 WeakPolarHBondContact O-CD 3.36Å; L462-R482 PolarHBondContact O-NH1 3.2Å; F463-R482 HydrophobicContact CB-CB 4.14Å; F463-R482 WeakPolarHBondContact O-CB 3.36Å; F463-R482 PolarHBondContact O-N 3.2Å; R482-D486 IonicContact CZ-OD1 2.76Å; R482-D486 IonicContact NE-OD1 2.77Å; R482-D486 PolarHBondContact NE-OD1 2.76Å; R482-D486 IonicContact NH2-OD1 3.28Å; R482-D486 PolarHBondContact NH2-OD1 2.86Å; R482-D486 IonicContact NH2-OD2 3.85Å; R482-W488 HydrophobicContact CB-CD2 3.97Å; R482-W488 HydrophobicContact CB-CE3 4.01Å; R482-W488 HydrophobicContact CB-CH2 3.74Å; R482-W488 HydrophobicContact CB-CZ2 3.7Å; R482-W488 HydrophobicContact CB-CZ3 3.9Å; R482-W488 HydrophobicContact CG-CD2 4.41Å; R482-W488 HydrophobicContact CG-CZ2 4.02Å
483Q84.8Confident91Very high19 Ų1944 Ų449%0.08922%0.217CC..EExtended strand (participates in β ladder)trans-114.5-171.2175.8-145.2-154.29.700110.6I167 L169 K485 D486 Q487 F489I167-Q483 PolarHBondContact O-NE2 3.35Å; L169-Q483 HydrophobicContact CD1-CB 4.42Å; L169-Q483 HydrophobicContact CD1-CG 4.2Å; L169-Q483 HydrophobicContact CD2-CG 4.48Å; L169-Q483 VanDerWaalsContact CG-CD 3.45Å; L169-Q483 HydrophobicContact CG-CG 4.1Å; Q483-K485 PolarHBondContact O-N 3.38Å; Q483-D486 PolarHBondContact O-N 2.86Å; Q483-Q487 PolarHBondContact N-O 2.8Å; Q483-F489 HydrophobicContact CB-CD2 4.05Å; Q483-F489 HydrophobicContact CB-CE2 3.92Å
484H76Confident92Very high84 Ų8437.9 Ų37.939%0.38919%0.194SC..G310 helixtrans-44.7138.3-177.7-62.7-63.1000113.2D486H484-D486 VanDerWaalsContact C-N 3.27Å; H484-D486 PolarHBondContact O-N 2.81Å
485K70.2Confident92.6Very high144 Ų14439.8 Ų39.863%0.62620%0.198SC*.G310 helixtrans57.935.9179.9-53.3178.2175-177.50113.9Q483 Q487Q483-K485 PolarHBondContact O-N 3.38Å; K485-Q487 PolarHBondContact O-N 2.89Å; K485-Q487 VanDerWaalsContact O-N 3.14Å
486D80.4Confident92.8Very high92 Ų9241.5 Ų41.549%0.49220%0.203SC..G310 helixtrans60.227.7174-52.9-33.4000114R482 Q483 H484R482-D486 IonicContact CZ-OD1 2.76Å; R482-D486 IonicContact NE-OD1 2.77Å; R482-D486 PolarHBondContact NE-OD1 2.76Å; R482-D486 IonicContact NH2-OD1 3.28Å; R482-D486 PolarHBondContact NH2-OD1 2.86Å; R482-D486 IonicContact NH2-OD2 3.85Å; Q483-D486 PolarHBondContact O-N 2.86Å; H484-D486 VanDerWaalsContact C-N 3.27Å; H484-D486 PolarHBondContact O-N 2.81Å
487Q89.4Confident92.8Very high66 Ų6642.6 Ų42.631%0.30821%0.213SC..EExtended strand (participates in β ladder)trans-82.8133.7173.4-63.8-168.6-38.700109.9Q483 K485 F489Q483-Q487 PolarHBondContact N-O 2.8Å; K485-Q487 PolarHBondContact O-N 2.89Å; K485-Q487 VanDerWaalsContact O-N 3.14Å; Q487-F489 HydrophobicContact CB-CE2 3.77Å; Q487-F489 HydrophobicContact CB-CZ 4.34Å
488W95.1Very high92.7Very high4 Ų448.9 Ų48.92%0.01524%0.24CC..EExtended strand (participates in β ladder)trans-104144.1179.5-72.988.6000111.2L427 L462 F480 I481 R482 A499 V504L427-W488 HydrophobicContact CD2-CZ2 3.92Å; L462-W488 HydrophobicContact CB-CH2 4.45Å; L462-W488 HydrophobicContact CD2-CH2 3.94Å; L462-W488 HydrophobicContact CD2-CZ2 4.32Å; L462-W488 HydrophobicContact CG-CH2 3.89Å; L462-W488 HydrophobicContact CG-CZ2 4.46Å; F480-W488 HydrophobicContact CB-CE3 4.01Å; F480-W488 HydrophobicContact CB-CZ3 4.2Å; I481-W488 VanDerWaalsContact C-CE3 3.48Å; I481-W488 WeakPolarHBondContact O-CA 3.32Å; R482-W488 HydrophobicContact CB-CD2 3.97Å; R482-W488 HydrophobicContact CB-CE3 4.01Å; R482-W488 HydrophobicContact CB-CH2 3.74Å; R482-W488 HydrophobicContact CB-CZ2 3.7Å; R482-W488 HydrophobicContact CB-CZ3 3.9Å; R482-W488 HydrophobicContact CG-CD2 4.41Å; R482-W488 HydrophobicContact CG-CZ2 4.02Å; W488-A499 HydrophobicContact CB-CB 4.25Å; W488-A499 PolarHBondContact O-N 2.8Å; W488-V504 HydrophobicContact CB-CG2 3.91Å; W488-V504 HydrophobicContact CD2-CG1 4.37Å; W488-V504 HydrophobicContact CD2-CG2 3.71Å; W488-V504 HydrophobicContact CE3-CB 4.48Å; W488-V504 HydrophobicContact CE3-CG1 4.02Å; W488-V504 HydrophobicContact CE3-CG2 3.69Å; W488-V504 HydrophobicContact CG-CG2 3.84Å; W488-V504 HydrophobicContact CH2-CG1 4.14Å; W488-V504 HydrophobicContact CZ2-CG1 4.48Å; W488-V504 HydrophobicContact CZ3-CG1 3.9Å; W488-V504 HydrophobicContact CZ3-CG2 4.41Å
489F96.1Very high92.6Very high22 Ų2249.3 Ų49.310%0.09625%0.245CC..EExtended strand (participates in β ladder)trans-133.8134.9178-64.1-93.8000109.5L169 F480 I481 Q483 Q487 I496 T497 K498L169-F489 HydrophobicContact CD1-CB 4.47Å; L169-F489 HydrophobicContact CD1-CD1 3.84Å; L169-F489 HydrophobicContact CD1-CD2 3.52Å; L169-F489 HydrophobicContact CD1-CE1 3.85Å; L169-F489 HydrophobicContact CD1-CE2 3.54Å; L169-F489 HydrophobicContact CD1-CG 3.67Å; L169-F489 HydrophobicContact CD1-CZ 3.7Å; L169-F489 HydrophobicContact CD2-CB 4.21Å; L169-F489 HydrophobicContact CD2-CD2 4.25Å; L169-F489 HydrophobicContact CD2-CG 4.24Å; F480-F489 CarbonylContact C-O 2.86Å; F480-F489 VanDerWaalsContact CA-O 3.27Å; F480-F489 WeakPolarHBondContact CA-O 2.96Å; I481-F489 PolarHBondContact N-O 3.4Å; I481-F489 PolarHBondContact O-N 3.11Å; Q483-F489 HydrophobicContact CB-CD2 4.05Å; Q483-F489 HydrophobicContact CB-CE2 3.92Å; Q487-F489 HydrophobicContact CB-CE2 3.77Å; Q487-F489 HydrophobicContact CB-CZ 4.34Å; F489-I496 HydrophobicContact CB-CG2 4.02Å; F489-I496 HydrophobicContact CD1-CG2 4.04Å; F489-I496 HydrophobicContact CG-CG2 4.38Å; F489-T497 CarbonylContact C-O 3.49Å; F489-T497 VanDerWaalsContact CA-O 3.26Å; F489-T497 WeakPolarHBondContact CA-O 3.48Å; F489-K498 HydrophobicContact CD1-CB 4.37Å; F489-K498 HydrophobicContact CE1-CB 4.31Å; F489-K498 HydrophobicContact CE1-CG 4.42Å
490K97.8Very high92.5Very high53 Ų5351.9 Ų51.923%0.2326%0.262CS..EExtended strand (participates in β ladder)trans-84.7122.1167.2-172.6-175.1172.2-164.90108.4S479 F480 D492 I496 T497S479-K490 CarbonylContact O-C 3.45Å; S479-K490 WeakPolarHBondContact O-CA 3.37Å; F480-K490 HydrophobicContact CD1-CB 3.82Å; F480-K490 HydrophobicContact CD1-CG 4.25Å; F480-K490 HydrophobicContact CE1-CB 3.59Å; F480-K490 HydrophobicContact CE1-CD 4.3Å; F480-K490 HydrophobicContact CE1-CG 3.89Å; F480-K490 HydrophobicContact CZ-CB 4.48Å; F480-K490 HydrophobicContact CZ-CD 4.42Å; F480-K490 HydrophobicContact CZ-CG 4.32Å; K490-D492 IonicContact NZ-OD2 3.74Å; K490-D492 PolarHBondContact NZ-OD2 3.16Å; K490-I496 WeakPolarHBondContact O-CA 3.35Å; K490-T497 PolarHBondContact N-O 3.32Å; K490-T497 PolarHBondContact O-N 3.28Å
491C97.5Very high92.4Very high4 Ų454.8 Ų54.83%0.02728%0.278CS..EExtended strand (participates in β ladder)trans-101.5112.1172-61.30000108.2Q186 S479Q186-C491 HydrophobicContact CG-CB 3.9Å; S479-C491 PolarHBondContact N-O 3.09Å; S479-C491 PolarHBondContact O-N 3.39Å
492D97.7Very high92.3Very high43 Ų4361.5 Ų61.523%0.2331%0.307CS..EExtended strand (participates in β ladder)trans-12383.2179.6-163.6-21.7000107.4H476 T478 K490 A494 I495H476-D492 IonicContact CD2-OD1 3.85Å; H476-D492 IonicContact CE1-OD1 2.81Å; H476-D492 IonicContact NE2-OD1 3.56Å; H476-D492 PolarHBondContact NE2-OD1 3.09Å; T478-D492 HydrophobicContact CG2-CB 4.2Å; K490-D492 IonicContact NZ-OD2 3.74Å; K490-D492 PolarHBondContact NZ-OD2 3.16Å; D492-A494 PolarHBondContact O-N 3.36Å; D492-I495 PolarHBondContact N-O 3.25Å; D492-I495 WeakPolarHBondContact O-CB 3.45Å; D492-I495 PolarHBondContact O-N 3.14Å
493D97.2Very high92.4Very high21 Ų2163.3 Ų63.311%0.11232%0.32CS..THydrogen-bonded Turntrans47.8-111.4-169-66.9-37.5000112.2G171 L172 N174 N182 H476 I495G171-D493 CarbonylContact C-O 3.47Å; G171-D493 WeakPolarHBondContact CA-O 3.23Å; L172-D493 PolarHBondContact N-O 3.31Å; L172-D493 CarbonylContact O-C 3.58Å; L172-D493 VanDerWaalsContact O-CA 3.25Å; L172-D493 WeakPolarHBondContact O-CA 3.16Å; L172-D493 WeakPolarHBondContact O-CB 3.49Å; N174-D493 HydrophobicContact CB-CB 4.14Å; N174-D493 WeakPolarHBondContact CB-OD2 3.34Å; N174-D493 PolarHBondContact ND2-OD2 3.32Å; N182-D493 PolarHBondContact ND2-OD1 2.82Å; H476-D493 IonicContact CE1-OD2 2.75Å; H476-D493 PolarHBondContact CE1-OD2 3.26Å; D493-I495 PolarHBondContact O-N 2.79Å
494A96.9Very high93Very high37 Ų3762.4 Ų62.431%0.30632%0.316SS..THydrogen-bonded Turntrans-73.2-19.5-176.400000112.5L172 I173 P231 D492L172-A494 PolarHBondContact O-N 2.86Å; I173-A494 HydrophobicContact CD1-CB 3.93Å; P231-A494 HydrophobicContact CB-CB 4.04Å; P231-A494 HydrophobicContact CG-CB 3.85Å; D492-A494 PolarHBondContact O-N 3.36Å
495I96.6Very high93.9Very high108 Ų10860.4 Ų60.455%0.55431%0.308SS*.EExtended strand (participates in β ladder)trans-99.2125-171-56.7177.5000109D492 D493 T497D492-I495 PolarHBondContact N-O 3.25Å; D492-I495 WeakPolarHBondContact O-CB 3.45Å; D492-I495 PolarHBondContact O-N 3.14Å; D493-I495 PolarHBondContact O-N 2.79Å; I495-T497 HydrophobicContact CG2-CG2 4.01Å
496I95.4Very high95.1Very high52 Ų5258 Ų5827%0.26730%0.302SS..EExtended strand (participates in β ladder)trans-116.9123.2172-62-175.1000108.7L169 F489 K490L169-I496 HydrophobicContact CB-CD1 4.21Å; F489-I496 HydrophobicContact CB-CG2 4.02Å; F489-I496 HydrophobicContact CD1-CG2 4.04Å; F489-I496 HydrophobicContact CG-CG2 4.38Å; K490-I496 WeakPolarHBondContact O-CA 3.35Å
497T95.7Very high95.8Very high70 Ų7054.4 Ų54.443%0.42928%0.284SS..EExtended strand (participates in β ladder)trans-125.1147177.254.80000110.6F489 K490 I495F489-T497 CarbonylContact C-O 3.49Å; F489-T497 VanDerWaalsContact CA-O 3.26Å; F489-T497 WeakPolarHBondContact CA-O 3.48Å; K490-T497 PolarHBondContact N-O 3.32Å; K490-T497 PolarHBondContact O-N 3.28Å; I495-T497 HydrophobicContact CG2-CG2 4.01Å
498K95Very high95.8Very high144 Ų14454.6 Ų54.663%0.62629%0.285SS*.EExtended strand (participates in β ladder)trans-66.1142.2173.3-168.2175.9-178.5-178.50110.2F489F489-K498 HydrophobicContact CD1-CB 4.37Å; F489-K498 HydrophobicContact CE1-CB 4.31Å; F489-K498 HydrophobicContact CE1-CG 4.42Å
499A96.5Very high95.8Very high12 Ų1254.4 Ų54.410%0.09928%0.284CS..EExtended strand (participates in β ladder)trans-125.6150.9177.400000110.4F480 W488 D503F480-A499 HydrophobicContact CD1-CB 3.71Å; F480-A499 HydrophobicContact CE1-CB 3.56Å; W488-A499 HydrophobicContact CB-CB 4.25Å; W488-A499 PolarHBondContact O-N 2.8Å; A499-D503 HydrophobicContact CB-CB 4.44Å
500S96.1Very high95.8Very high53 Ų5353.5 Ų53.537%0.37128%0.28SS..  trans-84.5159.3168.6740000110.5K502 D503 V504S500-K502 PolarHBondContact O-N 2.91Å; S500-K502 PolarHBondContact OG-N 2.94Å; S500-D503 WeakPolarHBondContact CB-OD2 3.38Å; S500-D503 PolarHBondContact N-OD2 3.09Å; S500-D503 PolarHBondContact O-N 3.36Å; S500-D503 VanDerWaalsContact O-N 3.16Å; S500-D503 PolarHBondContact OG-N 2.71Å; S500-D503 VanDerWaalsContact OG-N 3.16Å; S500-D503 PolarHBondContact OG-OD1 3.45Å; S500-D503 PolarHBondContact OG-OD2 3.36Å; S500-V504 WeakPolarHBondContact O-CG2 3.45Å; S500-V504 PolarHBondContact O-N 3.25Å
501I95.3Very high95.8Very high77 Ų7751 Ų5140%0.39527%0.269SS..Hα-helixtrans-56.1-37.1172.2-70169.2000110.6L427 V504 L505L427-I501 HydrophobicContact CD1-CD1 4.24Å; L427-I501 HydrophobicContact CD1-CG2 3.78Å; L427-I501 HydrophobicContact CD2-CG2 4.34Å; L427-I501 HydrophobicContact CG-CG2 4.33Å; I501-V504 WeakPolarHBondContact O-CB 3.34Å; I501-V504 PolarHBondContact O-N 3.28Å; I501-L505 HydrophobicContact CG2-CD1 3.71Å; I501-L505 HydrophobicContact CG2-CG 4.04Å; I501-L505 WeakPolarHBondContact O-CG 3.44Å; I501-L505 PolarHBondContact O-N 2.95Å
502K94.9Very high95.9Very high141 Ų14150.8 Ų50.861%0.61327%0.268SS*.Hα-helixtrans-60.6-47177.8-179.1171.5179165.50111.5S500 V504 L505 D506S500-K502 PolarHBondContact O-N 2.91Å; S500-K502 PolarHBondContact OG-N 2.94Å; K502-V504 PolarHBondContact O-N 2.95Å; K502-L505 PolarHBondContact O-N 3.29Å; K502-D506 WeakPolarHBondContact CE-OD2 3.44Å; K502-D506 WeakPolarHBondContact CG-OD2 3.19Å; K502-D506 VanDerWaalsContact O-CB 3.32Å; K502-D506 WeakPolarHBondContact O-CB 3.32Å; K502-D506 PolarHBondContact O-N 2.84Å
503D96.3Very high95.9Very high83 Ų8348.7 Ų48.744%0.44426%0.257SS..Hα-helixtrans-58.4-34177.7-54.5-44.5000112.1F480 A499 S500F480-D503 HydrophobicContact CE1-CB 4.42Å; F480-D503 HydrophobicContact CZ-CB 4.38Å; A499-D503 HydrophobicContact CB-CB 4.44Å; S500-D503 WeakPolarHBondContact CB-OD2 3.38Å; S500-D503 PolarHBondContact N-OD2 3.09Å; S500-D503 PolarHBondContact O-N 3.36Å; S500-D503 VanDerWaalsContact O-N 3.16Å; S500-D503 PolarHBondContact OG-N 2.71Å; S500-D503 VanDerWaalsContact OG-N 3.16Å; S500-D503 PolarHBondContact OG-OD1 3.45Å; S500-D503 PolarHBondContact OG-OD2 3.36Å
504V97Very high95.9Very high0 Ų047.7 Ų47.70%025%0.251CS..Hα-helixtrans-72-51.2177.6-178.40000110.8F425 L462 V465 F480 W488 S500 I501 K502 S507F425-V504 VanDerWaalsContact CZ-O 3.28Å; F425-V504 WeakPolarHBondContact CZ-O 3.36Å; L462-V504 HydrophobicContact CD2-CG1 4.39Å; V465-V504 HydrophobicContact CB-CG1 4.49Å; V465-V504 HydrophobicContact CG2-CG1 3.7Å; F480-V504 HydrophobicContact CB-CG1 4.17Å; F480-V504 HydrophobicContact CB-CG2 3.92Å; F480-V504 HydrophobicContact CD1-CG2 3.8Å; F480-V504 HydrophobicContact CD2-CG2 4.38Å; F480-V504 HydrophobicContact CE1-CG2 4.35Å; F480-V504 HydrophobicContact CG-CB 4.46Å; F480-V504 HydrophobicContact CG-CG1 4.44Å; F480-V504 HydrophobicContact CG-CG2 3.8Å; W488-V504 HydrophobicContact CB-CG2 3.91Å; W488-V504 HydrophobicContact CD2-CG1 4.37Å; W488-V504 HydrophobicContact CD2-CG2 3.71Å; W488-V504 HydrophobicContact CE3-CB 4.48Å; W488-V504 HydrophobicContact CE3-CG1 4.02Å; W488-V504 HydrophobicContact CE3-CG2 3.69Å; W488-V504 HydrophobicContact CG-CG2 3.84Å; W488-V504 HydrophobicContact CH2-CG1 4.14Å; W488-V504 HydrophobicContact CZ2-CG1 4.48Å; W488-V504 HydrophobicContact CZ3-CG1 3.9Å; W488-V504 HydrophobicContact CZ3-CG2 4.41Å; S500-V504 WeakPolarHBondContact O-CG2 3.45Å; S500-V504 PolarHBondContact O-N 3.25Å; I501-V504 WeakPolarHBondContact O-CB 3.34Å; I501-V504 PolarHBondContact O-N 3.28Å; K502-V504 PolarHBondContact O-N 2.95Å; V504-S507 WeakPolarHBondContact O-CB 3.33Å; V504-S507 PolarHBondContact O-N 2.93Å; V504-S507 PolarHBondContact O-OG 3.23Å
505L95.8Very high95.7Very high43 Ų4348.4 Ų48.423%0.22525%0.248CC..Hα-helixtrans-71.9-28.8-175.3-61.7-177.8000113.1Y422 F425 L427 I501 K502 S507Y422-L505 PolarHBondContact OH-O 2.85Å; F425-L505 HydrophobicContact CD2-CD2 4.11Å; F425-L505 HydrophobicContact CE2-CD2 4.02Å; F425-L505 WeakPolarHBondContact O-CD2 3.33Å; L427-L505 HydrophobicContact CD2-CD2 4.06Å; L427-L505 HydrophobicContact CG-CD1 4.35Å; L427-L505 HydrophobicContact CG-CD2 4.18Å; I501-L505 HydrophobicContact CG2-CD1 3.71Å; I501-L505 HydrophobicContact CG2-CG 4.04Å; I501-L505 WeakPolarHBondContact O-CG 3.44Å; I501-L505 PolarHBondContact O-N 2.95Å; K502-L505 PolarHBondContact O-N 3.29Å; L505-S507 PolarHBondContact O-N 2.95Å
506D94.6Very high95.4Very high94 Ų9444.7 Ų44.750%0.50323%0.228SC..THydrogen-bonded Turntrans-80-6.1176-68.3-9.3000112.2K502K502-D506 WeakPolarHBondContact CE-OD2 3.44Å; K502-D506 WeakPolarHBondContact CG-OD2 3.19Å; K502-D506 VanDerWaalsContact O-CB 3.32Å; K502-D506 WeakPolarHBondContact O-CB 3.32Å; K502-D506 PolarHBondContact O-N 2.84Å
507S94.2Very high94.6Very high15 Ų1544.8 Ų44.811%0.10523%0.227CC..SBendtrans-78.4154.2-176.473.30000114.3N467 V504 L505 G509N467-S507 WeakPolarHBondContact ND2-CB 3.32Å; N467-S507 PolarHBondContact ND2-OG 2.8Å; N467-S507 PolarHBondContact OD1-OG 3.23Å; V504-S507 WeakPolarHBondContact O-CB 3.33Å; V504-S507 PolarHBondContact O-N 2.93Å; V504-S507 PolarHBondContact O-OG 3.23Å; L505-S507 PolarHBondContact O-N 2.95Å; S507-G509 VanDerWaalsContact C-N 3.25Å; S507-G509 PolarHBondContact O-N 2.87Å
508E90.3Very high93.4Very high71 Ų7146 Ų4633%0.33223%0.227SC..  trans-78.171.4175.6-65.6-169.3118.100111.6N467 Y510N467-E508 PolarHBondContact OD1-O 2.95Å; E508-Y510 PolarHBondContact O-N 3.47Å
509G94.1Very high91.6Very high0 Ų042 Ų420%021%0.212CC..EExtended strand (participates in β ladder)trans-51.2129179.100000112.3L406 R408 N467 S507L406-G509 WeakPolarHBondContact CD1-O 3.32Å; R408-G509 VanDerWaalsContact CZ-O 3.26Å; R408-G509 PolarHBondContact NE-O 2.99Å; R408-G509 PolarHBondContact NH2-O 3.48Å; N467-G509 WeakPolarHBondContact OD1-CA 3.44Å; N467-G509 PolarHBondContact OD1-N 3.42Å; S507-G509 VanDerWaalsContact C-N 3.25Å; S507-G509 PolarHBondContact O-N 2.87Å
510Y97Very high89.2Confident2 Ų246.5 Ų46.51%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-104.5-51.9174.2177.5-118.3000110.8D255 A256 H257 H405 L406 R408 F409 V466 H468 Y477 E508D255-Y510 PolarHBondContact OD1-OH 2.99Å; D255-Y510 PolarHBondContact OD2-OH 3.45Å; A256-Y510 HydrophobicContact CB-CE1 4.24Å; H257-Y510 HydrophobicContact CB-CE1 4.24Å; H405-Y510 AromaticContact CD2-CE2 3.67Å; H405-Y510 AromaticContact CD2-CZ 3.81Å; H405-Y510 AromaticContact NE2-CE2 3.49Å; H405-Y510 WeakPolarHBondContact NE2-CE2 3.45Å; H405-Y510 AromaticContact NE2-CZ 3.61Å; H405-Y510 PolarHBondContact NE2-OH 2.93Å; L406-Y510 PolarHBondContact N-O 3.07Å; R408-Y510 HydrophobicContact CB-CD2 4.37Å; R408-Y510 HydrophobicContact CG-CD2 4.45Å; F409-Y510 AromaticContact CD2-CE2 3.88Å; F409-Y510 HydrophobicContact CD2-CE2 3.88Å; F409-Y510 HydrophobicContact CE2-CD2 4.23Å; F409-Y510 AromaticContact CE2-CE2 3.5Å; F409-Y510 HydrophobicContact CE2-CE2 3.5Å; F409-Y510 AromaticContact CE2-CZ 3.68Å; F409-Y510 HydrophobicContact CZ-CE2 4.47Å; V466-Y510 HydrophobicContact CG1-CD1 4.49Å; V466-Y510 WeakPolarHBondContact O-CA 3.36Å; V466-Y510 WeakPolarHBondContact O-CB 3.5Å; V466-Y510 PolarHBondContact O-N 2.82Å; H468-Y510 HydrophobicContact CB-CG 4.5Å; Y477-Y510 HydrophobicContact CD1-CD1 4.4Å; Y477-Y510 AromaticContact CE1-CD1 3.57Å; Y477-Y510 HydrophobicContact CE1-CD1 3.57Å; Y477-Y510 AromaticContact CE1-CE1 3.8Å; Y477-Y510 HydrophobicContact CE1-CE1 3.8Å; Y477-Y510 HydrophobicContact CE1-CG 4.37Å; E508-Y510 PolarHBondContact O-N 3.47Å
511L98.4Very high86.4Confident0 Ų051 Ų510%024%0.24CC..EExtended strand (participates in β ladder)trans-118.8134.9169.3-56.9163.1000109.5I184 A256 H257 F404 H405 V465 V466 F513I184-L511 HydrophobicContact CD1-CD1 3.51Å; A256-L511 HydrophobicContact CB-CD1 4.32Å; H257-L511 HydrophobicContact CB-CD2 4.08Å; F404-L511 CarbonylContact O-C 3.49Å; F404-L511 WeakPolarHBondContact O-CA 3.32Å; H405-L511 HydrophobicContact CB-CD2 3.65Å; V465-L511 WeakPolarHBondContact CA-O 3.04Å; V466-L511 HydrophobicContact CB-CB 3.96Å; V466-L511 HydrophobicContact CB-CD1 4.33Å; V466-L511 HydrophobicContact CB-CG 4.45Å; V466-L511 HydrophobicContact CG1-CD1 4.46Å; V466-L511 HydrophobicContact CG2-CB 4.27Å; V466-L511 HydrophobicContact CG2-CD1 4.39Å; V466-L511 PolarHBondContact N-O 2.8Å; V466-L511 PolarHBondContact O-N 2.86Å; L511-F513 HydrophobicContact CB-CD2 4.5Å; L511-F513 HydrophobicContact CB-CE2 3.81Å; L511-F513 HydrophobicContact CB-CZ 4.43Å
512L98.6Very high83.3Confident0 Ų054.7 Ų54.70%026%0.256CS..EExtended strand (participates in β ladder)trans-118.4120.5178.2-49.2174.6000109.2L359 C403 F404 L406 F425 L462 V465 Y514L359-L512 HydrophobicContact CD1-CD1 4.08Å; L359-L512 HydrophobicContact CD2-CD1 3.88Å; C403-L512 WeakPolarHBondContact CA-O 3.4Å; F404-L512 HydrophobicContact CB-CB 4.28Å; F404-L512 PolarHBondContact N-O 3.04Å; F404-L512 PolarHBondContact O-N 3.41Å; L406-L512 HydrophobicContact CD1-CD1 4.42Å; F425-L512 HydrophobicContact CB-CD1 3.67Å; F425-L512 HydrophobicContact CD1-CD1 4.05Å; F425-L512 HydrophobicContact CD1-CD2 3.89Å; F425-L512 HydrophobicContact CD2-CD2 4.11Å; F425-L512 HydrophobicContact CE1-CD2 4.01Å; F425-L512 HydrophobicContact CE2-CD2 4.21Å; F425-L512 HydrophobicContact CG-CD1 3.86Å; F425-L512 HydrophobicContact CG-CD2 3.95Å; F425-L512 HydrophobicContact CZ-CD2 4.16Å; L462-L512 HydrophobicContact CD1-CB 4.26Å; V465-L512 HydrophobicContact CB-CD2 4.48Å; V465-L512 HydrophobicContact CG1-CD2 3.83Å; V465-L512 HydrophobicContact CG2-CD2 4.25Å; L512-Y514 HydrophobicContact CB-CD2 4.25Å; L512-Y514 HydrophobicContact CB-CE2 3.8Å; L512-Y514 HydrophobicContact CD1-CE2 4.47Å
513F98.4Very high82.7Confident0 Ų050.4 Ų50.40%024%0.238CC..EExtended strand (participates in β ladder)trans-106.6124.1178.2-62.2-99.8000110.4I184 A187 L260 V401 C403 F463 A464 V466 L511I184-F513 HydrophobicContact CD1-CZ 4.34Å; A187-F513 HydrophobicContact CB-CD2 3.99Å; A187-F513 HydrophobicContact CB-CE1 4.31Å; A187-F513 HydrophobicContact CB-CE2 3.78Å; A187-F513 HydrophobicContact CB-CG 4.35Å; A187-F513 HydrophobicContact CB-CZ 3.94Å; L260-F513 HydrophobicContact CD1-CE1 4.31Å; L260-F513 HydrophobicContact CD1-CZ 4.35Å; L260-F513 HydrophobicContact CD2-CE1 4.02Å; L260-F513 HydrophobicContact CD2-CZ 3.83Å; V401-F513 HydrophobicContact CG1-CD1 4.48Å; C403-F513 HydrophobicContact CB-CD1 4.31Å; C403-F513 HydrophobicContact CB-CE1 4.24Å; F463-F513 HydrophobicContact CD1-CB 4.18Å; F463-F513 VanDerWaalsContact CD1-O 3.25Å; F463-F513 WeakPolarHBondContact CD1-O 3.32Å; F463-F513 HydrophobicContact CE1-CB 3.57Å; F463-F513 HydrophobicContact CE2-CB 4.24Å; F463-F513 HydrophobicContact CZ-CB 3.6Å; F463-F513 HydrophobicContact CZ-CG 4.41Å; F463-F513 PolarHBondContact N-O 3.24Å; A464-F513 HydrophobicContact CB-CB 3.99Å; A464-F513 HydrophobicContact CB-CD2 4.01Å; A464-F513 HydrophobicContact CB-CG 4.28Å; A464-F513 PolarHBondContact N-O 2.66Å; A464-F513 PolarHBondContact O-N 3.06Å; V466-F513 HydrophobicContact CG2-CE2 3.92Å; L511-F513 HydrophobicContact CB-CD2 4.5Å; L511-F513 HydrophobicContact CB-CE2 3.81Å; L511-F513 HydrophobicContact CB-CZ 4.43Å
514Y97.1Very high82Confident0 Ų048.6 Ų48.60%023%0.227CC..EExtended strand (participates in β ladder)trans-123.2138.4179.6-78.3-94.9000109.8L359 V401 A402 F404 P426 L429 S461 L462 L512L359-Y514 HydrophobicContact CD2-CE2 3.96Å; V401-Y514 CarbonylContact C-O 3.6Å; V401-Y514 VanDerWaalsContact CA-O 3.24Å; V401-Y514 WeakPolarHBondContact CA-O 3.38Å; A402-Y514 PolarHBondContact N-O 3.49Å; A402-Y514 PolarHBondContact O-N 3.49Å; F404-Y514 AromaticContact CD2-CD2 3.69Å; F404-Y514 HydrophobicContact CD2-CD2 3.69Å; F404-Y514 HydrophobicContact CD2-CE2 4.01Å; F404-Y514 AromaticContact CE2-CD2 3.72Å; F404-Y514 HydrophobicContact CE2-CD2 3.72Å; F404-Y514 HydrophobicContact CE2-CE2 4.21Å; F404-Y514 HydrophobicContact CE2-CG 4.34Å; P426-Y514 WeakPolarHBondContact O-CE1 3.2Å; P426-Y514 PolarHBondContact O-OH 3.47Å; L429-Y514 HydrophobicContact CB-CD1 4.04Å; L429-Y514 HydrophobicContact CB-CE1 3.76Å; L429-Y514 HydrophobicContact CD2-CE2 4.47Å; S461-Y514 WeakPolarHBondContact O-CA 3.38Å; L462-Y514 HydrophobicContact CB-CD1 3.94Å; L462-Y514 HydrophobicContact CB-CE1 3.53Å; L462-Y514 HydrophobicContact CD1-CD1 4.37Å; L462-Y514 HydrophobicContact CD1-CD2 3.85Å; L462-Y514 HydrophobicContact CD1-CE1 3.97Å; L462-Y514 HydrophobicContact CD1-CE2 3.42Å; L462-Y514 VanDerWaalsContact CD1-CE2 3.42Å; L462-Y514 HydrophobicContact CD1-CG 4.31Å; L462-Y514 VanDerWaalsContact CD1-CZ 3.46Å; L462-Y514 HydrophobicContact CG-CE1 4.32Å; L462-Y514 VanDerWaalsContact N-CD1 3.26Å; L512-Y514 HydrophobicContact CB-CD2 4.25Å; L512-Y514 HydrophobicContact CB-CE2 3.8Å; L512-Y514 HydrophobicContact CD1-CE2 4.47Å
515H92.3Very high81.1Confident51 Ų5151.3 Ų51.324%0.23624%0.24CC..EExtended strand (participates in β ladder)trans-109.4147.8170.268.679.9000110.3I400 V401 Y460 S461 F463I400-H515 CarbonylContact O-C 3.33Å; I400-H515 WeakPolarHBondContact O-CA 3.18Å; V401-H515 HydrophobicContact CG2-CB 4.27Å; Y460-H515 CarbonylContact C-O 3.56Å; Y460-H515 VanDerWaalsContact CA-O 3.29Å; Y460-H515 WeakPolarHBondContact CA-O 3.31Å; Y460-H515 VanDerWaalsContact CD1-C 3.45Å; S461-H515 PolarHBondContact N-O 2.88Å; S461-H515 PolarHBondContact O-CD2 3.05Å; S461-H515 PolarHBondContact O-N 2.89Å; F463-H515 HydrophobicContact CD1-CB 4.11Å; F463-H515 AromaticContact CD1-CD2 3.58Å; F463-H515 HydrophobicContact CE1-CB 4.16Å; F463-H515 AromaticContact CG-CD2 3.91Å
516K90Very high80.3Confident30 Ų3051.8 Ų51.813%0.1324%0.241CC..EExtended strand (participates in β ladder)trans-56140.2171.7-76.6-172.2173.7-1730110.7P399 I400 D457 K459 Y460 L519P399-K516 WeakPolarHBondContact O-CE 3.27Å; I400-K516 PolarHBondContact O-N 3.31Å; D457-K516 WeakPolarHBondContact O-CE 3.35Å; K459-K516 WeakPolarHBondContact O-CA 3.42Å; Y460-K516 HydrophobicContact CD1-CG 4.23Å; Y460-K516 HydrophobicContact CE1-CB 4.38Å; Y460-K516 HydrophobicContact CE1-CG 3.51Å; Y460-K516 HydrophobicContact CE2-CG 3.99Å; Y460-K516 WeakPolarHBondContact OH-CE 3.28Å; Y460-K516 WeakPolarHBondContact OH-CG 3.47Å; K516-L519 HydrophobicContact CB-CD2 4.31Å
517Q80.1Confident79.4Confident55 Ų5549.2 Ų49.226%0.25723%0.225SC..SBendtrans-72.7-33.7174.3-73.1-174.7-11.600112E428 K459 S461E428-Q517 PolarHBondContact OE1-NE2 2.91Å; E428-Q517 PolarHBondContact OE2-NE2 3.17Å; K459-Q517 HydrophobicContact CB-CB 4.43Å; K459-Q517 HydrophobicContact CB-CG 4.3Å; K459-Q517 PolarHBondContact O-N 2.86Å; S461-Q517 VanDerWaalsContact OG-CG 3.29Å; S461-Q517 WeakPolarHBondContact OG-CG 3.38Å; S461-Q517 PolarHBondContact OG-NE2 2.95Å; S461-Q517 VanDerWaalsContact OG-NE2 3.07Å
518F69.2Low78.4Confident96 Ų9651.5 Ų51.542%0.42123%0.233SC..SBendtrans-122.3121.3179.1-61-92.2000107.9N456N456-F518 HydrophobicContact CB-CD2 3.3Å; N456-F518 HydrophobicContact CB-CE2 3.36Å; N456-F518 HydrophobicContact CB-CG 4.1Å; N456-F518 HydrophobicContact CB-CZ 4.17Å; N456-F518 WeakPolarHBondContact ND2-CE2 3.16Å; N456-F518 VanDerWaalsContact ND2-CZ 3.35Å; N456-F518 WeakPolarHBondContact ND2-CZ 3.44Å
519L58.1Low77.5Confident58 Ų5850.1 Ų50.130%0.30423%0.226SC..  trans-89108.3170.5-60.8177.2000106.4L193 I400 K516 Y521L193-L519 HydrophobicContact CD1-CD1 4.27Å; L193-L519 HydrophobicContact CD1-CD2 4.36Å; L193-L519 HydrophobicContact CD2-CD1 3.98Å; L193-L519 HydrophobicContact CG-CD1 4.46Å; I400-L519 HydrophobicContact CB-CD2 4.36Å; I400-L519 HydrophobicContact CD1-CD2 4.36Å; I400-L519 HydrophobicContact CG1-CD2 4.3Å; I400-L519 HydrophobicContact CG2-CD2 3.26Å; K516-L519 HydrophobicContact CB-CD2 4.31Å; L519-Y521 HydrophobicContact CB-CE2 4.33Å; L519-Y521 PolarHBondContact O-N 3.26Å
520E45.2Very low76.3Confident108 Ų10853.9 Ų53.951%0.50524%0.243SC..  trans-63.2106.6158.1-72.3-176.712900105.8E522E520-E522 HydrophobicContact CB-CG 4.43Å; E520-E522 PolarHBondContact O-N 2.96Å
521Y37.6Very low74.5Confident146 Ų14658.3 Ų58.357%0.57326%0.262SS*.  trans-71.275.1160.5-67.7-83.8000105.8L519L519-Y521 HydrophobicContact CB-CE2 4.33Å; L519-Y521 PolarHBondContact O-N 3.26Å
522E29.6Very low72.4Confident155 Ų15563.5 Ų63.572%0.72429%0.286SS*.  trans-47.90165.7-75.4-176.3170.400107.9K138 E520K138-E522 WeakPolarHBondContact CD-O 3.46Å; K138-E522 VanDerWaalsContact CE-O 3.24Å; K138-E522 WeakPolarHBondContact CE-O 3.34Å; K138-E522 PolarHBondContact NZ-O 3.44Å; K138-E522 PolarHBondContact NZ-OXT 3.09Å; E520-E522 HydrophobicContact CB-CG 4.43Å; E520-E522 PolarHBondContact O-N 2.96Å

Retrieved 522 of 522 residues in 136.8 ms (Link to these results)

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