A0A077ZKW1_TRITR Loading...

S4 and PseudoU synth 2 and Cu-oxidase 4 domain co ntaining protein

AlphaFold DB , UniProt , Accession A0A077ZKW1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 505 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
1M64.5Low78.4Confident180 Ų180113.8 Ų113.889%0.88756%0.561SS**  0-29.10-153174.2-85.100112.4V39M1-V39 HydrophobicContact SD-CB 4.11Å; M1-V39 HydrophobicContact SD-CG2 3.93Å
2F79.5Confident79.1Confident78 Ų78113 Ų11334%0.34256%0.555SS.*  trans-138.187.6174-53.7-78.1000111.3D4 Y5 I10 V39 I41F2-D4 VanDerWaalsContact C-N 3.28Å; F2-D4 PolarHBondContact O-N 2.71Å; F2-Y5 HydrophobicContact CB-CD2 4.21Å; F2-I10 HydrophobicContact CB-CD1 4.31Å; F2-V39 HydrophobicContact CE2-CG1 4.13Å; F2-V39 HydrophobicContact CZ-CG1 4.45Å; F2-I41 HydrophobicContact CD2-CD1 3.7Å; F2-I41 HydrophobicContact CE2-CD1 3.52Å; F2-I41 HydrophobicContact CE2-CG1 4.29Å; F2-I41 HydrophobicContact CG-CD1 4.33Å; F2-I41 HydrophobicContact CZ-CD1 4Å; F2-I41 HydrophobicContact CZ-CG1 4.44Å
3P77.7Confident80Confident119 Ų119105.3 Ų105.377%0.77352%0.516SS*.THydrogen-bonded Turntrans-73.2-18.6-174.530.3-34.3000113.8Y5P3-Y5 PolarHBondContact O-N 2.79Å
4D72.8Confident80.9Confident144 Ų14499.8 Ų99.877%0.7749%0.49SS*.THydrogen-bonded Turntrans-73.8-15.5-176.3-54.8-38.3000113.2F2F2-D4 VanDerWaalsContact C-N 3.28Å; F2-D4 PolarHBondContact O-N 2.71Å
5Y78.1Confident81.6Confident96 Ų9699.7 Ų99.738%0.37649%0.491SS..SBendtrans-112.8141.3-179.1-57.5-68.8000111.9F2 P3 W13 I45F2-Y5 HydrophobicContact CB-CD2 4.21Å; P3-Y5 PolarHBondContact O-N 2.79Å; Y5-W13 AromaticContact CD1-CH2 3.43Å; Y5-W13 HydrophobicContact CD1-CH2 3.43Å; Y5-W13 VanDerWaalsContact CD1-CH2 3.43Å; Y5-W13 HydrophobicContact CD1-CZ2 4.37Å; Y5-W13 HydrophobicContact CD1-CZ3 4.05Å; Y5-W13 AromaticContact CD2-CH2 3.98Å; Y5-W13 HydrophobicContact CD2-CH2 3.98Å; Y5-W13 AromaticContact CD2-CZ3 3.84Å; Y5-W13 HydrophobicContact CD2-CZ3 3.84Å; Y5-W13 AromaticContact CE1-CH2 3.63Å; Y5-W13 HydrophobicContact CE1-CH2 3.63Å; Y5-W13 HydrophobicContact CE1-CZ3 4.44Å; Y5-W13 HydrophobicContact CE2-CH2 4.16Å; Y5-W13 HydrophobicContact CE2-CZ3 4.25Å; Y5-W13 AromaticContact CG-CH2 3.61Å; Y5-W13 HydrophobicContact CG-CH2 3.61Å; Y5-W13 AromaticContact CG-CZ3 3.72Å; Y5-W13 HydrophobicContact CG-CZ3 3.72Å; Y5-W13 AromaticContact CZ-CH2 3.98Å; Y5-I45 HydrophobicContact CE1-CD1 3.86Å
6S74.2Confident82.3Confident69 Ų6999.3 Ų99.348%0.48349%0.491SS..  trans-65.2149.1177.981.60000111.2S8 R9 I10S6-S8 PolarHBondContact O-N 3.13Å; S6-R9 PolarHBondContact O-N 3.23Å; S6-R9 WeakPolarHBondContact OG-CB 3.34Å; S6-R9 PolarHBondContact OG-N 2.84Å; S6-R9 VanDerWaalsContact OG-N 3.16Å; S6-I10 PolarHBondContact O-N 3.23Å
7R82Confident82.9Confident230 Ų230100.9 Ų100.987%0.86850%0.497SS*.Hα-helixtrans-55.9-37.2176.8-70.4-177.6180175.3-0.4112.3K11R7-K11 WeakPolarHBondContact O-CB 3.45Å; R7-K11 PolarHBondContact O-N 3.28Å; R7-K11 VanDerWaalsContact O-N 3.09Å
8S77.3Confident83.3Confident90 Ų90100 Ų10063%0.62949%0.488SS*.Hα-helixtrans-65.1-42.5178-51.10000111.5S6 K11 E12S6-S8 PolarHBondContact O-N 3.13Å; S8-K11 WeakPolarHBondContact O-CB 3.26Å; S8-K11 PolarHBondContact O-N 2.9Å; S8-E12 PolarHBondContact O-N 2.84Å
9R81.3Confident83.8Confident91 Ų9195.2 Ų95.234%0.34347%0.465SS..Hα-helixtrans-66-44.6179-172.96974-160.913.4112.1S6 K11 E12 W13S6-R9 PolarHBondContact O-N 3.23Å; S6-R9 WeakPolarHBondContact OG-CB 3.34Å; S6-R9 PolarHBondContact OG-N 2.84Å; S6-R9 VanDerWaalsContact OG-N 3.16Å; R9-K11 PolarHBondContact O-N 3.48Å; R9-E12 IonicContact CZ-OE2 3.56Å; R9-E12 IonicContact NH1-OE2 3.83Å; R9-E12 PolarHBondContact NH1-OE2 3.42Å; R9-E12 WeakPolarHBondContact O-CB 3.38Å; R9-E12 PolarHBondContact O-N 3.24Å; R9-W13 HydrophobicContact CG-CD2 4.21Å; R9-W13 HydrophobicContact CG-CH2 4.03Å; R9-W13 HydrophobicContact CG-CZ2 3.54Å; R9-W13 PolarHBondContact O-N 3.32Å
10I86Confident84.3Confident38 Ų3893.6 Ų93.620%0.19546%0.458CS..Hα-helixtrans-60.5-39.4175.5-64.7170.9000110.5F2 S6 W13 I14F2-I10 HydrophobicContact CB-CD1 4.31Å; S6-I10 PolarHBondContact O-N 3.23Å; I10-W13 HydrophobicContact CG1-CE3 4.38Å; I10-W13 HydrophobicContact CG1-CZ3 4.46Å; I10-W13 PolarHBondContact O-N 2.6Å; I10-I14 HydrophobicContact CG2-CD1 3.95Å; I10-I14 HydrophobicContact CG2-CG1 4.43Å; I10-I14 VanDerWaalsContact O-CG1 3.29Å; I10-I14 WeakPolarHBondContact O-CG1 3.39Å; I10-I14 PolarHBondContact O-N 3.02Å
11K88.7Confident84.8Confident117 Ų11790.6 Ų90.651%0.50945%0.445SS..Hα-helixtrans-62.4-41.9176.7-176.3-174.3174.4-166.50112.1R7 S8 R9 I14 L15 P29R7-K11 WeakPolarHBondContact O-CB 3.45Å; R7-K11 PolarHBondContact O-N 3.28Å; R7-K11 VanDerWaalsContact O-N 3.09Å; S8-K11 WeakPolarHBondContact O-CB 3.26Å; S8-K11 PolarHBondContact O-N 2.9Å; R9-K11 PolarHBondContact O-N 3.48Å; K11-I14 PolarHBondContact O-N 3.44Å; K11-L15 HydrophobicContact CG-CD1 4.18Å; K11-L15 WeakPolarHBondContact O-CG 3.33Å; K11-L15 PolarHBondContact O-N 2.79Å; K11-P29 HydrophobicContact CG-CB 3.91Å; K11-P29 HydrophobicContact CG-CG 3.73Å
12E86.9Confident86.1Confident104 Ų10486.6 Ų86.649%0.48643%0.427SS..Hα-helixtrans-57.1-50.4172.4-95.1170.9-179.800111.3S8 R9 I14 L15 D16S8-E12 PolarHBondContact O-N 2.84Å; R9-E12 IonicContact CZ-OE2 3.56Å; R9-E12 IonicContact NH1-OE2 3.83Å; R9-E12 PolarHBondContact NH1-OE2 3.42Å; R9-E12 WeakPolarHBondContact O-CB 3.38Å; R9-E12 PolarHBondContact O-N 3.24Å; E12-I14 VanDerWaalsContact C-N 3.3Å; E12-I14 PolarHBondContact O-N 3.29Å; E12-L15 PolarHBondContact O-N 2.92Å; E12-L15 VanDerWaalsContact O-N 3.17Å; E12-D16 WeakPolarHBondContact O-CB 3.06Å; E12-D16 PolarHBondContact O-N 3.27Å
13W91.1Very high86.6Confident13 Ų1386 Ų865%0.04944%0.443CS..Hα-helixtrans-62.4-35.8-179.6-62.8-23.7000113.6Y5 R9 I10 Q17 R18 V19 I41 A43 I45Y5-W13 AromaticContact CD1-CH2 3.43Å; Y5-W13 HydrophobicContact CD1-CH2 3.43Å; Y5-W13 VanDerWaalsContact CD1-CH2 3.43Å; Y5-W13 HydrophobicContact CD1-CZ2 4.37Å; Y5-W13 HydrophobicContact CD1-CZ3 4.05Å; Y5-W13 AromaticContact CD2-CH2 3.98Å; Y5-W13 HydrophobicContact CD2-CH2 3.98Å; Y5-W13 AromaticContact CD2-CZ3 3.84Å; Y5-W13 HydrophobicContact CD2-CZ3 3.84Å; Y5-W13 AromaticContact CE1-CH2 3.63Å; Y5-W13 HydrophobicContact CE1-CH2 3.63Å; Y5-W13 HydrophobicContact CE1-CZ3 4.44Å; Y5-W13 HydrophobicContact CE2-CH2 4.16Å; Y5-W13 HydrophobicContact CE2-CZ3 4.25Å; Y5-W13 AromaticContact CG-CH2 3.61Å; Y5-W13 HydrophobicContact CG-CH2 3.61Å; Y5-W13 AromaticContact CG-CZ3 3.72Å; Y5-W13 HydrophobicContact CG-CZ3 3.72Å; Y5-W13 AromaticContact CZ-CH2 3.98Å; R9-W13 HydrophobicContact CG-CD2 4.21Å; R9-W13 HydrophobicContact CG-CH2 4.03Å; R9-W13 HydrophobicContact CG-CZ2 3.54Å; R9-W13 PolarHBondContact O-N 3.32Å; I10-W13 HydrophobicContact CG1-CE3 4.38Å; I10-W13 HydrophobicContact CG1-CZ3 4.46Å; I10-W13 PolarHBondContact O-N 2.6Å; W13-Q17 PolarHBondContact O-N 2.83Å; W13-R18 HydrophobicContact CB-CB 4.28Å; W13-R18 WeakPolarHBondContact O-CB 3.26Å; W13-R18 PolarHBondContact O-N 3.43Å; W13-V19 HydrophobicContact CB-CG2 4.05Å; W13-I41 HydrophobicContact CD2-CG2 4.44Å; W13-I41 HydrophobicContact CE3-CG2 3.88Å; W13-I41 HydrophobicContact CZ3-CG2 4.33Å; W13-A43 HydrophobicContact CD2-CB 3.75Å; W13-A43 HydrophobicContact CE3-CB 4.46Å; W13-A43 HydrophobicContact CG-CB 3.78Å; W13-A43 HydrophobicContact CZ2-CB 4.14Å; W13-I45 HydrophobicContact CZ2-CG1 4.41Å
14I91.9Very high87.3Confident28 Ų2888.1 Ų88.114%0.14444%0.44CS..Hα-helixtrans-62.4-54.5173.2-68.5167.7000109.4I10 K11 E12 D16 Q17 V19 C26 D27 P29I10-I14 HydrophobicContact CG2-CD1 3.95Å; I10-I14 HydrophobicContact CG2-CG1 4.43Å; I10-I14 VanDerWaalsContact O-CG1 3.29Å; I10-I14 WeakPolarHBondContact O-CG1 3.39Å; I10-I14 PolarHBondContact O-N 3.02Å; K11-I14 PolarHBondContact O-N 3.44Å; E12-I14 VanDerWaalsContact C-N 3.3Å; E12-I14 PolarHBondContact O-N 3.29Å; I14-D16 PolarHBondContact O-N 3.12Å; I14-Q17 PolarHBondContact O-N 2.79Å; I14-V19 HydrophobicContact CB-CG2 4.46Å; I14-V19 HydrophobicContact CG1-CB 4.13Å; I14-V19 HydrophobicContact CG1-CG1 4.39Å; I14-V19 HydrophobicContact CG1-CG2 3.76Å; I14-C26 WeakPolarHBondContact CG2-O 3.46Å; I14-D27 VanDerWaalsContact CG2-C 3.5Å; I14-D27 VanDerWaalsContact O-CA 3.28Å; I14-D27 WeakPolarHBondContact O-CA 3.24Å; I14-P29 HydrophobicContact CB-CG 4.12Å; I14-P29 HydrophobicContact CD1-CB 4.33Å; I14-P29 HydrophobicContact CG2-CB 4.26Å; I14-P29 HydrophobicContact CG2-CG 3.68Å
15L92.7Very high88.2Confident99 Ų9984.7 Ų84.752%0.51842%0.424SS..Hα-helixtrans-61.2-32.1-178-70170.3000112.9K11 E12 Q17 P29K11-L15 HydrophobicContact CG-CD1 4.18Å; K11-L15 WeakPolarHBondContact O-CG 3.33Å; K11-L15 PolarHBondContact O-N 2.79Å; E12-L15 PolarHBondContact O-N 2.92Å; E12-L15 VanDerWaalsContact O-N 3.17Å; L15-Q17 PolarHBondContact O-N 2.93Å; L15-P29 HydrophobicContact CD1-CG 4.49Å; L15-P29 HydrophobicContact CD2-CG 3.89Å; L15-P29 HydrophobicContact CG-CG 3.85Å
16D91.4Very high88.8Confident92 Ų9281.2 Ų81.249%0.49241%0.414SS..THydrogen-bonded Turntrans-87.117.5179.3-15547.2000113.3E12 I14 R18E12-D16 WeakPolarHBondContact O-CB 3.06Å; E12-D16 PolarHBondContact O-N 3.27Å; I14-D16 PolarHBondContact O-N 3.12Å; D16-R18 HydrophobicContact CB-CG 4.26Å; D16-R18 WeakPolarHBondContact O-CG 3.32Å; D16-R18 PolarHBondContact O-N 2.95Å; D16-R18 VanDerWaalsContact O-N 3.13Å; D16-R18 IonicContact OD2-CZ 3.08Å; D16-R18 IonicContact OD2-NE 2.71Å; D16-R18 PolarHBondContact OD2-NE 3.4Å; D16-R18 IonicContact OD2-NH2 2.65Å; D16-R18 PolarHBondContact OD2-NH2 3.22Å
17Q92.6Very high89.6Confident127 Ų12781.2 Ų81.259%0.59341%0.408SS*.THydrogen-bonded Turntrans60.423.7174.3-58-175.657.600114.8W13 I14 L15 V19 V25 D27W13-Q17 PolarHBondContact O-N 2.83Å; I14-Q17 PolarHBondContact O-N 2.79Å; L15-Q17 PolarHBondContact O-N 2.93Å; Q17-V19 VanDerWaalsContact C-N 3.33Å; Q17-V25 HydrophobicContact CB-CG1 3.74Å; Q17-V25 HydrophobicContact CG-CG1 3.91Å; Q17-D27 HydrophobicContact CG-CB 4.18Å
18R90.6Very high90.1Very high85 Ų8576.3 Ų76.332%0.32139%0.393SS..  trans-89.83.2179.9-54.9-170.8-151.1179.62.6113.6W13 D16 N42 A43 E44W13-R18 HydrophobicContact CB-CB 4.28Å; W13-R18 WeakPolarHBondContact O-CB 3.26Å; W13-R18 PolarHBondContact O-N 3.43Å; D16-R18 HydrophobicContact CB-CG 4.26Å; D16-R18 WeakPolarHBondContact O-CG 3.32Å; D16-R18 PolarHBondContact O-N 2.95Å; D16-R18 VanDerWaalsContact O-N 3.13Å; D16-R18 IonicContact OD2-CZ 3.08Å; D16-R18 IonicContact OD2-NE 2.71Å; D16-R18 PolarHBondContact OD2-NE 3.4Å; D16-R18 IonicContact OD2-NH2 2.65Å; D16-R18 PolarHBondContact OD2-NH2 3.22Å; R18-N42 WeakPolarHBondContact CB-O 3.3Å; R18-N42 PolarHBondContact O-N 2.97Å; R18-A43 HydrophobicContact CB-CB 4.24Å; R18-E44 PolarHBondContact NH1-O 2.88Å
19V93Very high90.8Very high9 Ų974.6 Ų74.66%0.05538%0.38CS..EExtended strand (participates in β ladder)trans-119.9124.7-176.2-176.90000110.6W13 I14 Q17 C26 V39 I41W13-V19 HydrophobicContact CB-CG2 4.05Å; I14-V19 HydrophobicContact CB-CG2 4.46Å; I14-V19 HydrophobicContact CG1-CB 4.13Å; I14-V19 HydrophobicContact CG1-CG1 4.39Å; I14-V19 HydrophobicContact CG1-CG2 3.76Å; Q17-V19 VanDerWaalsContact C-N 3.33Å; V19-C26 PolarHBondContact O-N 3.14Å; V19-V39 HydrophobicContact CG1-CG1 4.07Å; V19-I41 HydrophobicContact CG1-CG1 4.25Å; V19-I41 HydrophobicContact CG2-CG1 4.1Å; V19-I41 HydrophobicContact CG2-CG2 4.28Å
20L93.8Very high91.3Very high63 Ų6379.9 Ų79.933%0.3341%0.405SS..EExtended strand (participates in β ladder)trans-106.2137.2173.8-56177.4000110.3K24 V25 V39 A40L20-K24 CarbonylContact C-O 3.42Å; L20-K24 VanDerWaalsContact CA-O 3.27Å; L20-K24 WeakPolarHBondContact CA-O 3.44Å; L20-V25 HydrophobicContact CD2-CB 4.19Å; L20-V25 HydrophobicContact CD2-CG2 3.44Å; L20-V25 VanDerWaalsContact CD2-CG2 3.44Å; L20-V39 CarbonylContact O-C 3.56Å; L20-V39 WeakPolarHBondContact O-CA 3.38Å; L20-A40 HydrophobicContact CB-CB 4.31Å; L20-A40 PolarHBondContact N-O 2.83Å; L20-A40 PolarHBondContact O-N 3.05Å
21V94.2Very high91.5Very high30 Ų3083.6 Ų83.618%0.18242%0.422CS..EExtended strand (participates in β ladder)trans-122.4117.9170.7-176.20000107.9G23 K24 C26 E37 Q38 V39V21-G23 PolarHBondContact O-N 3.04Å; V21-K24 PolarHBondContact N-O 3.34Å; V21-K24 PolarHBondContact O-N 3.48Å; V21-K24 VanDerWaalsContact O-N 3.12Å; V21-C26 HydrophobicContact CB-CB 4.27Å; V21-C26 HydrophobicContact CG2-CB 3.72Å; V21-E37 HydrophobicContact CG1-CB 3.54Å; V21-E37 HydrophobicContact CG1-CG 3.86Å; V21-Q38 CarbonylContact C-O 3.51Å; V21-Q38 WeakPolarHBondContact CA-O 3.38Å; V21-V39 HydrophobicContact CG2-CG2 4.42Å
22N92.5Very high91.7Very high97 Ų9787.3 Ų87.352%0.51944%0.438SS..THydrogen-bonded Turntrans50.741.9-171.3-62.6-34.3000113.1K24 E37 Q38N22-K24 VanDerWaalsContact C-N 3.27Å; N22-K24 PolarHBondContact O-N 2.89Å; N22-E37 VanDerWaalsContact ND2-CG 3.34Å; N22-E37 WeakPolarHBondContact ND2-CG 3.45Å; N22-E37 WeakPolarHBondContact OD1-CA 3.14Å; N22-Q38 PolarHBondContact N-O 2.87Å; N22-Q38 PolarHBondContact OD1-N 3.21Å
23G89.9Confident91.9Very high65 Ų6587.2 Ų87.267%0.6744%0.444SS*.THydrogen-bonded Turntrans76.42.7179.100000115.6V21V21-G23 PolarHBondContact O-N 3.04Å
24K91.5Very high91.8Very high164 Ų16494.7 Ų94.771%0.71349%0.485SS*.EExtended strand (participates in β ladder)trans-108.4137.2175.3-66.9-177.5179.9-179.20110.8L20 V21 N22 C26L20-K24 CarbonylContact C-O 3.42Å; L20-K24 VanDerWaalsContact CA-O 3.27Å; L20-K24 WeakPolarHBondContact CA-O 3.44Å; V21-K24 PolarHBondContact N-O 3.34Å; V21-K24 PolarHBondContact O-N 3.48Å; V21-K24 VanDerWaalsContact O-N 3.12Å; N22-K24 VanDerWaalsContact C-N 3.27Å; N22-K24 PolarHBondContact O-N 2.89Å; K24-C26 PolarHBondContact O-N 3.23Å
25V93Very high91.4Very high71 Ų7196.3 Ų96.343%0.4351%0.508SS..EExtended strand (participates in β ladder)trans-56.2127.1171.7166.90000109.4Q17 L20Q17-V25 HydrophobicContact CB-CG1 3.74Å; Q17-V25 HydrophobicContact CG-CG1 3.91Å; L20-V25 HydrophobicContact CD2-CB 4.19Å; L20-V25 HydrophobicContact CD2-CG2 3.44Å; L20-V25 VanDerWaalsContact CD2-CG2 3.44Å
26C90.1Very high91.3Very high23 Ų2395.5 Ų95.516%0.15552%0.523CS..  trans-118113.3172.4-179.20000108.1I14 V19 V21 K24I14-C26 WeakPolarHBondContact CG2-O 3.46Å; V19-C26 PolarHBondContact O-N 3.14Å; V21-C26 HydrophobicContact CB-CB 4.27Å; V21-C26 HydrophobicContact CG2-CB 3.72Å; K24-C26 PolarHBondContact O-N 3.23Å
27D91.9Very high91.3Very high70 Ų7093 Ų9337%0.37451%0.509SS..  trans-109.38.9-175.168-15.2000113.4I14 Q17 P29I14-D27 VanDerWaalsContact CG2-C 3.5Å; I14-D27 VanDerWaalsContact O-CA 3.28Å; I14-D27 WeakPolarHBondContact O-CA 3.24Å; Q17-D27 HydrophobicContact CG-CB 4.18Å; D27-P29 WeakPolarHBondContact O-CD 3.43Å
28K92Very high91.2Very high126 Ų12694.5 Ų94.555%0.54852%0.516SS..  trans-111.799.3-176.6-71.6170.6-165.7167.40111.1K30 E31K28-K30 PolarHBondContact O-N 3.36Å; K28-E31 HydrophobicContact CB-CB 4.01Å; K28-E31 WeakPolarHBondContact O-CB 3.46Å; K28-E31 PolarHBondContact O-N 3.2Å
29P91.5Very high91.4Very high55 Ų5592.7 Ų92.736%0.35751%0.514SS..THydrogen-bonded Turntrans-62.1-17.1-178.6-22.731.3000115.1K11 I14 L15 D27K11-P29 HydrophobicContact CG-CB 3.91Å; K11-P29 HydrophobicContact CG-CG 3.73Å; I14-P29 HydrophobicContact CB-CG 4.12Å; I14-P29 HydrophobicContact CD1-CB 4.33Å; I14-P29 HydrophobicContact CG2-CB 4.26Å; I14-P29 HydrophobicContact CG2-CG 3.68Å; L15-P29 HydrophobicContact CD1-CG 4.49Å; L15-P29 HydrophobicContact CD2-CG 3.89Å; L15-P29 HydrophobicContact CG-CG 3.85Å; D27-P29 WeakPolarHBondContact O-CD 3.43Å
30K92.6Very high91.3Very high201 Ų20194.9 Ų94.987%0.87453%0.533SS*.THydrogen-bonded Turntrans-94.4-4.2178.9-70.5-174178.2179.30113.3K28 K32K28-K30 PolarHBondContact O-N 3.36Å; K30-K32 PolarHBondContact O-N 3.03Å
31E90.5Very high91.2Very high117 Ų11794.3 Ų94.355%0.54753%0.53SS..PPolyproline II helixtrans-64.6131.5179.9-166.8159.9151.900110.1K28K28-E31 HydrophobicContact CB-CB 4.01Å; K28-E31 WeakPolarHBondContact O-CB 3.46Å; K28-E31 PolarHBondContact O-N 3.2Å
32K92.5Very high90.9Very high195 Ų19599.8 Ų99.885%0.84856%0.558SS**PPolyproline II helixtrans-85125-178.1-69-178.9179.3178.30108.8K30K30-K32 PolarHBondContact O-N 3.03Å
33V91.3Very high90.5Very high101 Ų10196.4 Ų96.461%0.61254%0.543SS*.PPolyproline II helixtrans-80.4145.2169.1-63.70000110.2E37V33-E37 WeakPolarHBondContact CA-OE1 3.5Å
34L88.9Confident89.7Confident171 Ų171101 Ų10190%0.89555%0.548SS*.  trans-87.1-18.1178.9-67.4169.5000112.5E37L34-E37 PolarHBondContact N-OE1 3.32Å
35G83.7Confident88.5Confident62 Ų6298.4 Ų98.464%0.63954%0.54SS*.SBendtrans92.9121.8-176.700000111.2E37G35-E37 VanDerWaalsContact C-OE2 3.31Å; G35-E37 VanDerWaalsContact CA-OE2 3.28Å; G35-E37 WeakPolarHBondContact CA-OE2 3.29Å; G35-E37 PolarHBondContact N-OE2 2.85Å
36G89.4Confident86.8Confident81 Ų81102.6 Ų102.684%0.83556%0.555SS**  trans111.8-6.7-176.200000114
37E92Very high84.9Confident40 Ų40110.5 Ų110.519%0.18759%0.59CS.*PPolyproline II helixtrans-68.6141.4176.1-57.693.5151.600112.6V21 N22 V33 L34 G35V21-E37 HydrophobicContact CG1-CB 3.54Å; V21-E37 HydrophobicContact CG1-CG 3.86Å; N22-E37 VanDerWaalsContact ND2-CG 3.34Å; N22-E37 WeakPolarHBondContact ND2-CG 3.45Å; N22-E37 WeakPolarHBondContact OD1-CA 3.14Å; V33-E37 WeakPolarHBondContact CA-OE1 3.5Å; L34-E37 PolarHBondContact N-OE1 3.32Å; G35-E37 VanDerWaalsContact C-OE2 3.31Å; G35-E37 VanDerWaalsContact CA-OE2 3.28Å; G35-E37 WeakPolarHBondContact CA-OE2 3.29Å; G35-E37 PolarHBondContact N-OE2 2.85Å
38Q91.6Very high83Confident158 Ų158113.4 Ų113.474%0.73860%0.601SS**PPolyproline II helixtrans-83.5118171.5-67.3-174.9-11.700109.6V21 N22V21-Q38 CarbonylContact C-O 3.51Å; V21-Q38 WeakPolarHBondContact CA-O 3.38Å; N22-Q38 PolarHBondContact N-O 2.87Å; N22-Q38 PolarHBondContact OD1-N 3.21Å
39V93.3Very high81.4Confident48 Ų48111.2 Ų111.229%0.29161%0.606SS.*EExtended strand (participates in β ladder)trans-104126.9179-176.70000109.5M1 F2 V19 L20 V21 I41M1-V39 HydrophobicContact SD-CB 4.11Å; M1-V39 HydrophobicContact SD-CG2 3.93Å; F2-V39 HydrophobicContact CE2-CG1 4.13Å; F2-V39 HydrophobicContact CZ-CG1 4.45Å; V19-V39 HydrophobicContact CG1-CG1 4.07Å; L20-V39 CarbonylContact O-C 3.56Å; L20-V39 WeakPolarHBondContact O-CA 3.38Å; V21-V39 HydrophobicContact CG2-CG2 4.42Å; V39-I41 HydrophobicContact CG1-CG1 4.23Å
40A92.4Very high80.6Confident54 Ų54118 Ų11845%0.44663%0.625SS.*EExtended strand (participates in β ladder)trans-121.5129.6171.400000109.5L20L20-A40 HydrophobicContact CB-CB 4.31Å; L20-A40 PolarHBondContact N-O 2.83Å; L20-A40 PolarHBondContact O-N 3.05Å
41I90.4Very high80.4Confident51 Ų51111.1 Ų111.126%0.26260%0.595SS.*EExtended strand (participates in β ladder)trans-116.4123.7178.4-55.7-178000107F2 W13 V19 V39 A43F2-I41 HydrophobicContact CD2-CD1 3.7Å; F2-I41 HydrophobicContact CE2-CD1 3.52Å; F2-I41 HydrophobicContact CE2-CG1 4.29Å; F2-I41 HydrophobicContact CG-CD1 4.33Å; F2-I41 HydrophobicContact CZ-CD1 4Å; F2-I41 HydrophobicContact CZ-CG1 4.44Å; W13-I41 HydrophobicContact CD2-CG2 4.44Å; W13-I41 HydrophobicContact CE3-CG2 3.88Å; W13-I41 HydrophobicContact CZ3-CG2 4.33Å; V19-I41 HydrophobicContact CG1-CG1 4.25Å; V19-I41 HydrophobicContact CG2-CG1 4.1Å; V19-I41 HydrophobicContact CG2-CG2 4.28Å; V39-I41 HydrophobicContact CG1-CG1 4.23Å; I41-A43 HydrophobicContact CG2-CB 4.22Å
42N89.1Confident80.6Confident146 Ų146111.1 Ų111.178%0.78160%0.595SS**  trans-122.389.4172.6-172.426.3000109.1R18R18-N42 WeakPolarHBondContact CB-O 3.3Å; R18-N42 PolarHBondContact O-N 2.97Å
43A82.5Confident80.8Confident25 Ų25105.1 Ų105.121%0.20758%0.576CS.*  trans-127.6134.6-178.600000110.3W13 R18 I41W13-A43 HydrophobicContact CD2-CB 3.75Å; W13-A43 HydrophobicContact CE3-CB 4.46Å; W13-A43 HydrophobicContact CG-CB 3.78Å; W13-A43 HydrophobicContact CZ2-CB 4.14Å; R18-A43 HydrophobicContact CB-CB 4.24Å; I41-A43 HydrophobicContact CG2-CB 4.22Å
44E73.9Confident81.1Confident163 Ų163102.7 Ų102.776%0.76256%0.558SS**  trans-74.1131.2166.9-66.5-177.7177.800109.1R18R18-E44 PolarHBondContact NH1-O 2.88Å
45I67.2Low81.5Confident109 Ų109100.7 Ų100.756%0.55955%0.548SS*.  trans-90.5103.3170.1-57.6175.4000105Y5 W13 E47Y5-I45 HydrophobicContact CE1-CD1 3.86Å; W13-I45 HydrophobicContact CZ2-CG1 4.41Å; I45-E47 PolarHBondContact O-N 3.34Å
46E56.4Low82.2Confident159 Ų15999.7 Ų99.774%0.74353%0.528SS*.  trans-62.3120.2166.7-73-179.417500107.8E48E46-E48 PolarHBondContact O-N 3.5Å
47E50.6Low82.6Confident188 Ų188101.2 Ų101.288%0.87952%0.523SS*.  trans-67.385.1161.1-80.1-173155.300106.8I45 A49I45-E47 PolarHBondContact O-N 3.34Å; E47-A49 PolarHBondContact O-N 2.87Å
48E52.4Low82.8Confident132 Ų132100.8 Ų100.862%0.61752%0.522SS*.  trans-50.1114.3165.4-84.7173.617100107E46 R50E46-E48 PolarHBondContact O-N 3.5Å; E48-R50 WeakPolarHBondContact O-CA 3.16Å; E48-R50 PolarHBondContact O-N 2.73Å
49A57.2Low83.1Confident79 Ų7997.4 Ų97.465%0.65351%0.509SS*.  trans-54.496.216700000106.7E47 F51E47-A49 PolarHBondContact O-N 2.87Å; A49-F51 VanDerWaalsContact C-N 3.27Å; A49-F51 PolarHBondContact O-N 3.47Å
50R75.2Confident83.4Confident198 Ų19897.5 Ų97.575%0.74751%0.507SS*.  trans-70.6-30.6-152.9-164.6179178.7170.23.8111.8E48E48-R50 WeakPolarHBondContact O-CA 3.16Å; E48-R50 PolarHBondContact O-N 2.73Å
51F89.2Confident83.7Confident57 Ų5797.8 Ų97.825%0.2550%0.503CS..SBendtrans-148.1135.5-178.1-52.8-61.8000109.5A49 P80 L90 L94A49-F51 VanDerWaalsContact C-N 3.27Å; A49-F51 PolarHBondContact O-N 3.47Å; F51-P80 HydrophobicContact CD1-CB 3.75Å; F51-P80 HydrophobicContact CD1-CG 3.59Å; F51-P80 HydrophobicContact CE1-CB 3.42Å; F51-P80 VanDerWaalsContact CE1-CB 3.42Å; F51-P80 HydrophobicContact CE1-CG 3.75Å; F51-P80 HydrophobicContact CG-CG 4.03Å; F51-P80 HydrophobicContact CZ-CB 4Å; F51-P80 HydrophobicContact CZ-CG 4.27Å; F51-L90 HydrophobicContact CB-CD2 3.54Å; F51-L90 HydrophobicContact CD2-CD1 4.14Å; F51-L90 HydrophobicContact CD2-CD2 3.71Å; F51-L90 HydrophobicContact CE2-CD1 4.45Å; F51-L90 HydrophobicContact CG-CD2 3.82Å; F51-L94 HydrophobicContact CB-CD1 4.17Å; F51-L94 VanDerWaalsContact O-CD1 3.28Å; F51-L94 WeakPolarHBondContact O-CD1 3.34Å
52E93.3Very high84.1Confident117 Ų11798.8 Ų98.855%0.54750%0.504SS..  trans-89147.9-177.2-67-63.5138.900112.4N91E52-N91 PolarHBondContact O-ND2 2.79Å
53P96.6Very high84.5Confident68 Ų6894.9 Ų94.944%0.44248%0.481SS..  trans-66.3138.717128.7-33.6000111L94 H95P53-L94 HydrophobicContact CB-CB 3.95Å; P53-H95 HydrophobicContact CB-CB 4.02Å
54Q97.7Very high85.3Confident51 Ų5195.4 Ų95.424%0.23848%0.48CS..  trans-133.7137.4176.8-66.1179.7-36.200110.7I56 D86 G87 N91 H95Q54-I56 VanDerWaalsContact C-N 3.29Å; Q54-I56 HydrophobicContact CB-CD1 3.93Å; Q54-I56 HydrophobicContact CB-CG1 4.19Å; Q54-I56 PolarHBondContact O-N 3.5Å; Q54-D86 PolarHBondContact NE2-OD2 3.14Å; Q54-G87 VanDerWaalsContact OE1-CA 3.3Å; Q54-N91 HydrophobicContact CB-CB 3.92Å; Q54-N91 HydrophobicContact CG-CB 4.01Å; Q54-N91 PolarHBondContact N-O 3.02Å; Q54-H95 WeakPolarHBondContact O-CB 3.23Å
55D97.8Very high86.4Confident128 Ų12895.5 Ų95.568%0.68448%0.481SS*.  trans-71.783.9177.1-1723.6000110.3H95D55-H95 IonicContact OD1-CD2 3.96Å; D55-H95 IonicContact OD1-NE2 3.64Å
56I97.7Very high87.8Confident42 Ų4291.5 Ų91.522%0.21546%0.461CS..  trans-121.6116177.5-64.8163.8000106.8Q54 L58 L76 N91 A92Q54-I56 VanDerWaalsContact C-N 3.29Å; Q54-I56 HydrophobicContact CB-CD1 3.93Å; Q54-I56 HydrophobicContact CB-CG1 4.19Å; Q54-I56 PolarHBondContact O-N 3.5Å; I56-L58 PolarHBondContact O-N 3.12Å; I56-L76 HydrophobicContact CG2-CD1 4.14Å; I56-N91 HydrophobicContact CD1-CB 4.49Å; I56-A92 HydrophobicContact CB-CB 3.76Å; I56-A92 HydrophobicContact CG2-CB 4.02Å
57P97.3Very high89.8Confident112 Ų11284 Ų8473%0.72743%0.425SS*.  trans-60.4136.9179.7-24.433.4000112.4
58L97.7Very high92.1Very high32 Ų3275 Ų7517%0.16838%0.384CS..  trans-114.4133.3172.2-68.3173.7000109.7I56 I60 I70 L76 V89 A92 L93I56-L58 PolarHBondContact O-N 3.12Å; L58-I60 HydrophobicContact CB-CG1 4.35Å; L58-I60 PolarHBondContact O-N 2.92Å; L58-I70 HydrophobicContact CD2-CD1 4.24Å; L58-L76 HydrophobicContact CD2-CD2 4.49Å; L58-V89 HydrophobicContact CD2-CG1 4.43Å; L58-A92 HydrophobicContact CD1-CB 3.85Å; L58-A92 HydrophobicContact CD2-CB 3.89Å; L58-A92 HydrophobicContact CG-CB 3.81Å; L58-L93 HydrophobicContact CD1-CD2 3.88Å; L58-L93 HydrophobicContact CD1-CG 4.18Å
59D98.3Very high94.3Very high87 Ų8768.8 Ų68.847%0.46535%0.354SS..  trans-81.397.8169.9-179.714.6000108.8I70 N71D59-I70 CarbonylContact O-C 3.55Å; D59-I70 VanDerWaalsContact O-CA 3.23Å; D59-I70 WeakPolarHBondContact O-CA 3.35Å; D59-N71 HydrophobicContact CB-CB 4.21Å; D59-N71 PolarHBondContact O-N 2.86Å; D59-N71 WeakPolarHBondContact OD2-CB 3.38Å; D59-N71 PolarHBondContact OD2-ND2 2.99Å
60I98.5Very high96.3Very high50 Ų5065 Ų6526%0.25632%0.323SS..EExtended strand (participates in β ladder)trans-88.4112-178.7-61.6174.3000109.1L58 E63 I68 I70 Y96L58-I60 HydrophobicContact CB-CG1 4.35Å; L58-I60 PolarHBondContact O-N 2.92Å; I60-E63 HydrophobicContact CG2-CB 4Å; I60-I68 HydrophobicContact CD1-CG2 4.41Å; I60-I68 HydrophobicContact CG1-CG2 4.16Å; I60-I68 HydrophobicContact CG2-CG2 3.95Å; I60-I70 HydrophobicContact CG1-CG2 4.27Å; I60-Y96 HydrophobicContact CD1-CD1 4.09Å; I60-Y96 HydrophobicContact CD1-CD2 4.23Å; I60-Y96 HydrophobicContact CD1-CE1 3.44Å; I60-Y96 VanDerWaalsContact CD1-CE1 3.44Å; I60-Y96 HydrophobicContact CD1-CE2 3.6Å; I60-Y96 HydrophobicContact CD1-CG 4.45Å; I60-Y96 WeakPolarHBondContact CD1-OH 3.41Å
61V98.5Very high97.4Very high59 Ų5957 Ų5736%0.35830%0.295SS..EExtended strand (participates in β ladder)trans-80.3-36.2178.6179.60000111.1I69 N71 L119V61-I69 HydrophobicContact CB-CB 4.36Å; V61-I69 HydrophobicContact CB-CG2 4.07Å; V61-I69 HydrophobicContact CG1-CG2 4.49Å; V61-I69 PolarHBondContact N-O 3.41Å; V61-N71 HydrophobicContact CG2-CB 3.75Å; V61-L119 HydrophobicContact CG2-CD2 4.06Å
62Y98.6Very high97.9Very high72 Ų7254.3 Ų54.328%0.28228%0.283SS..EExtended strand (participates in β ladder)trans-156.5145.2-179.5173.4-91.7000110.1D64 I67 I68 I69 M269 W271Y62-D64 HydrophobicContact CE1-CB 4.08Å; Y62-D64 WeakPolarHBondContact CE1-OD2 3.28Å; Y62-D64 VanDerWaalsContact CZ-OD2 3.26Å; Y62-D64 WeakPolarHBondContact OH-CB 3.35Å; Y62-D64 PolarHBondContact OH-OD2 3.03Å; Y62-I67 HydrophobicContact CD1-CD1 4.37Å; Y62-I67 HydrophobicContact CD1-CG1 4.33Å; Y62-I67 HydrophobicContact CE1-CD1 4.04Å; Y62-I67 HydrophobicContact CE1-CG1 3.94Å; Y62-I68 WeakPolarHBondContact O-CA 3.38Å; Y62-I69 HydrophobicContact CD1-CG1 4.08Å; Y62-I69 PolarHBondContact N-O 3.45Å; Y62-I69 PolarHBondContact O-N 3.38Å; Y62-M269 HydrophobicContact CE1-CE 4.19Å; Y62-M269 HydrophobicContact CE2-CE 4.07Å; Y62-W271 VanDerWaalsContact CB-NE1 3.31Å; Y62-W271 AromaticContact CD1-CE2 3.98Å; Y62-W271 AromaticContact CD1-CZ2 3.79Å; Y62-W271 HydrophobicContact CD1-CZ2 3.79Å; Y62-W271 AromaticContact CD1-NE1 3.72Å; Y62-W271 AromaticContact CD2-NE1 3.74Å; Y62-W271 HydrophobicContact CE1-CZ2 4.01Å; Y62-W271 HydrophobicContact CG-CZ2 4.27Å; Y62-W271 AromaticContact CG-NE1 3.28Å; Y62-W271 VanDerWaalsContact CG-NE1 3.28Å
63E98.5Very high98.1Very high64 Ų6451.9 Ų51.930%0.29928%0.278SS..EExtended strand (participates in β ladder)trans-149.9139.7173.4177.5171.3-166.300110.5I60 I67 I68 Y96 K124I60-E63 HydrophobicContact CG2-CB 4Å; E63-I67 WeakPolarHBondContact CA-O 3.11Å; E63-I68 HydrophobicContact CG-CG1 4.12Å; E63-Y96 PolarHBondContact OE2-OH 2.71Å; E63-K124 HydrophobicContact CG-CD 4.27Å; E63-K124 IonicContact OE1-NZ 2.71Å; E63-K124 PolarHBondContact OE1-NZ 3.45Å
64D98.2Very high98.2Very high37 Ų3752.4 Ų52.420%0.19827%0.271CS..  trans-135.3-157.9166.859.830.6000110.8Y62 D66 I67 K124 H262Y62-D64 HydrophobicContact CE1-CB 4.08Å; Y62-D64 WeakPolarHBondContact CE1-OD2 3.28Å; Y62-D64 VanDerWaalsContact CZ-OD2 3.26Å; Y62-D64 WeakPolarHBondContact OH-CB 3.35Å; Y62-D64 PolarHBondContact OH-OD2 3.03Å; D64-D66 VanDerWaalsContact C-N 3.26Å; D64-D66 PolarHBondContact O-N 3.1Å; D64-D66 PolarHBondContact OD1-N 2.94Å; D64-I67 PolarHBondContact N-O 3.38Å; D64-I67 VanDerWaalsContact N-O 3.12Å; D64-I67 WeakPolarHBondContact OD1-CG1 3.37Å; D64-I67 PolarHBondContact OD1-N 2.85Å; D64-K124 VanDerWaalsContact O-CD 3.26Å; D64-K124 WeakPolarHBondContact O-CD 3.43Å; D64-K124 WeakPolarHBondContact O-CE 3.35Å; D64-K124 PolarHBondContact O-NZ 2.82Å; D64-H262 IonicContact OD1-NE2 3.67Å; D64-H262 IonicContact OD2-CD2 3.5Å; D64-H262 PolarHBondContact OD2-CD2 2.95Å; D64-H262 IonicContact OD2-NE2 3.02Å; D64-H262 PolarHBondContact OD2-NE2 3.4Å
65E97.4Very high98.1Very high165 Ų16555.1 Ų55.177%0.77129%0.287SS*.SBendtrans-67-26.6179.4-64.5-176.8-176.800112.8
66D97.5Very high98.2Very high25 Ų2549.8 Ų49.813%0.13426%0.258CS..SBendtrans-115-31.6-165-69.4-57.1000114.2D64 K124 T125 A128 H262 I264D64-D66 VanDerWaalsContact C-N 3.26Å; D64-D66 PolarHBondContact O-N 3.1Å; D64-D66 PolarHBondContact OD1-N 2.94Å; D66-K124 PolarHBondContact O-N 3.33Å; D66-T125 PolarHBondContact OD1-OG1 3.06Å; D66-A128 HydrophobicContact CB-CB 4.08Å; D66-A128 WeakPolarHBondContact O-CB 3.28Å; D66-H262 IonicContact OD2-CE1 3.42Å; D66-H262 PolarHBondContact OD2-CE1 3.41Å; D66-I264 HydrophobicContact CB-CG1 4.04Å; D66-I264 VanDerWaalsContact OD1-CG1 3.26Å; D66-I264 WeakPolarHBondContact OD1-CG1 3.27Å; D66-I264 WeakPolarHBondContact OD2-CB 3.15Å; D66-I264 WeakPolarHBondContact OD2-CG1 3.37Å
67I98.4Very high98.1Very high0 Ų048.8 Ų48.80%025%0.254CS..EExtended strand (participates in β ladder)trans-136.1153.9-174.964.4171.2000113.3Y62 E63 D64 I69 V121 V122 L132 P263 W271Y62-I67 HydrophobicContact CD1-CD1 4.37Å; Y62-I67 HydrophobicContact CD1-CG1 4.33Å; Y62-I67 HydrophobicContact CE1-CD1 4.04Å; Y62-I67 HydrophobicContact CE1-CG1 3.94Å; E63-I67 WeakPolarHBondContact CA-O 3.11Å; D64-I67 PolarHBondContact N-O 3.38Å; D64-I67 VanDerWaalsContact N-O 3.12Å; D64-I67 WeakPolarHBondContact OD1-CG1 3.37Å; D64-I67 PolarHBondContact OD1-N 2.85Å; I67-I69 HydrophobicContact CD1-CD1 4.43Å; I67-V121 HydrophobicContact CB-CG2 4.37Å; I67-V121 HydrophobicContact CG2-CG2 4.42Å; I67-V122 CarbonylContact C-O 3.46Å; I67-V122 VanDerWaalsContact CA-O 3.29Å; I67-V122 WeakPolarHBondContact CA-O 3.46Å; I67-L132 HydrophobicContact CG2-CD1 4.14Å; I67-P263 HydrophobicContact CG2-CG 3.62Å; I67-W271 HydrophobicContact CD1-CH2 3.65Å; I67-W271 HydrophobicContact CD1-CZ2 3.9Å
68I98.7Very high98.1Very high1 Ų143.6 Ų43.61%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-122.4132.6167.1-52175.7000107.7I60 Y62 E63 I70 L93 Y96 V121 V122 K124I60-I68 HydrophobicContact CD1-CG2 4.41Å; I60-I68 HydrophobicContact CG1-CG2 4.16Å; I60-I68 HydrophobicContact CG2-CG2 3.95Å; Y62-I68 WeakPolarHBondContact O-CA 3.38Å; E63-I68 HydrophobicContact CG-CG1 4.12Å; I68-I70 HydrophobicContact CG2-CG2 3.66Å; I68-L93 HydrophobicContact CD1-CD2 4.39Å; I68-Y96 HydrophobicContact CD1-CD1 4.29Å; I68-Y96 HydrophobicContact CD1-CE1 4.21Å; I68-V121 WeakPolarHBondContact O-CA 3.47Å; I68-V122 HydrophobicContact CB-CB 4.36Å; I68-V122 PolarHBondContact N-O 2.87Å; I68-V122 PolarHBondContact O-N 2.79Å; I68-K124 HydrophobicContact CD1-CD 4.06Å; I68-K124 HydrophobicContact CD1-CG 3.9Å; I68-K124 HydrophobicContact CG1-CD 3.61Å; I68-K124 HydrophobicContact CG1-CG 3.63Å
69I98.7Very high98Very high0 Ų045 Ų450%023%0.226CC..EExtended strand (participates in β ladder)trans-106120.5167.2-52.7-61.8000108.1V61 Y62 I67 L119 M120 V121 L258 W271V61-I69 HydrophobicContact CB-CB 4.36Å; V61-I69 HydrophobicContact CB-CG2 4.07Å; V61-I69 HydrophobicContact CG1-CG2 4.49Å; V61-I69 PolarHBondContact N-O 3.41Å; Y62-I69 HydrophobicContact CD1-CG1 4.08Å; Y62-I69 PolarHBondContact N-O 3.45Å; Y62-I69 PolarHBondContact O-N 3.38Å; I67-I69 HydrophobicContact CD1-CD1 4.43Å; I69-L119 HydrophobicContact CG2-CD2 3.78Å; I69-M120 VanDerWaalsContact CA-O 3.32Å; I69-M120 WeakPolarHBondContact CA-O 2.83Å; I69-V121 HydrophobicContact CD1-CB 3.58Å; I69-V121 HydrophobicContact CD1-CG2 3.63Å; I69-L258 HydrophobicContact CD1-CD2 4.04Å; I69-W271 HydrophobicContact CD1-CD2 4.12Å; I69-W271 HydrophobicContact CD1-CE3 3.87Å; I69-W271 HydrophobicContact CD1-CH2 4.04Å; I69-W271 HydrophobicContact CD1-CZ2 4.28Å; I69-W271 HydrophobicContact CD1-CZ3 3.83Å; I69-W271 HydrophobicContact CG1-CD2 3.71Å; I69-W271 HydrophobicContact CG1-CE3 4.01Å; I69-W271 HydrophobicContact CG1-CG 4.15Å; I69-W271 HydrophobicContact CG1-CH2 4.21Å; I69-W271 HydrophobicContact CG1-CZ2 3.93Å; I69-W271 HydrophobicContact CG1-CZ3 4.24Å; I69-W271 HydrophobicContact CG2-CB 4.26Å; I69-W271 HydrophobicContact CG2-CG 4.24Å
70I98.6Very high97.9Very high1 Ų141.5 Ų41.51%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-114.1149177.865.3173.2000111.1L58 D59 I60 I68 V89 L119 M120L58-I70 HydrophobicContact CD2-CD1 4.24Å; D59-I70 CarbonylContact O-C 3.55Å; D59-I70 VanDerWaalsContact O-CA 3.23Å; D59-I70 WeakPolarHBondContact O-CA 3.35Å; I60-I70 HydrophobicContact CG1-CG2 4.27Å; I68-I70 HydrophobicContact CG2-CG2 3.66Å; I70-V89 HydrophobicContact CD1-CG1 3.61Å; I70-L119 CarbonylContact O-C 3.51Å; I70-L119 VanDerWaalsContact O-CA 3.28Å; I70-L119 WeakPolarHBondContact O-CA 3.44Å; I70-M120 HydrophobicContact CD1-CB 4.24Å; I70-M120 HydrophobicContact CG1-CB 3.77Å; I70-M120 PolarHBondContact N-O 2.93Å; I70-M120 PolarHBondContact O-N 2.81Å
71N98.6Very high97.4Very high28 Ų2841.2 Ų41.215%0.1522%0.217CC..EExtended strand (participates in β ladder)trans-100.497.1167.8175.425.9000109.2D59 V61 G118D59-N71 HydrophobicContact CB-CB 4.21Å; D59-N71 PolarHBondContact O-N 2.86Å; D59-N71 WeakPolarHBondContact OD2-CB 3.38Å; D59-N71 PolarHBondContact OD2-ND2 2.99Å; V61-N71 HydrophobicContact CG2-CB 3.75Å; N71-G118 WeakPolarHBondContact OD1-CA 3.32Å
72K98.5Very high96.8Very high2 Ų243.9 Ų43.91%0.00925%0.246CC..EExtended strand (participates in β ladder)trans-69.7128.4-175.4-163.1-169.373.166.40110.5L76 V78 V89 L112 D113 K114 T116 T117 G118 M120K72-L76 HydrophobicContact CG-CB 4.39Å; K72-L76 HydrophobicContact CG-CD2 4.14Å; K72-L76 PolarHBondContact NZ-O 2.8Å; K72-V78 HydrophobicContact CD-CG2 3.81Å; K72-V89 HydrophobicContact CD-CG2 4.07Å; K72-V89 HydrophobicContact CG-CG2 4.13Å; K72-L112 HydrophobicContact CB-CD1 4.29Å; K72-L112 HydrophobicContact CD-CB 4.35Å; K72-D113 WeakPolarHBondContact CE-O 3.17Å; K72-D113 PolarHBondContact NZ-O 2.85Å; K72-K114 PolarHBondContact NZ-O 3.29Å; K72-T116 WeakPolarHBondContact CE-O 3.16Å; K72-T116 PolarHBondContact NZ-O 2.92Å; K72-T117 CarbonylContact O-C 3.59Å; K72-T117 WeakPolarHBondContact O-CA 3.47Å; K72-G118 PolarHBondContact N-O 2.88Å; K72-G118 PolarHBondContact O-N 3.16Å; K72-M120 HydrophobicContact CB-SD 4.43Å; K72-M120 HydrophobicContact CD-SD 3.96Å
73P98.3Very high96.3Very high66 Ų6643.9 Ų43.943%0.42927%0.268SS..  trans-74.1175.3170.932.4-36.3000111.6L76P73-L76 HydrophobicContact CG-CB 4.17Å; P73-L76 HydrophobicContact CG-CD2 4.04Å
74R98Very high96Very high78 Ų7844 Ų4429%0.29427%0.27SS..THydrogen-bonded Turntrans-72.2171.216766.5176.7-65.8171.4-6110.6L76 T117 D249 D278R74-L76 PolarHBondContact O-N 3.21Å; R74-T117 HydrophobicContact CB-CG2 4.1Å; R74-D249 IonicContact CZ-OD1 3.04Å; R74-D249 IonicContact CZ-OD2 2.82Å; R74-D249 IonicContact NH1-OD1 2.8Å; R74-D249 PolarHBondContact NH1-OD1 2.9Å; R74-D249 IonicContact NH2-OD1 2.82Å; R74-D249 PolarHBondContact NH2-OD1 2.9Å; R74-D249 IonicContact NH2-OD2 3.23Å; R74-D249 PolarHBondContact NH2-OD2 2.86Å; R74-D278 IonicContact NH1-OD2 2.72Å
75D97.4Very high95.7Very high109 Ų10946.6 Ų46.658%0.58329%0.29SS*.THydrogen-bonded Turntrans61.52.6-177.9-158.436.5000115.8K114 D115D75-K114 PolarHBondContact N-O 2.95Å; D75-K114 WeakPolarHBondContact O-CE 3.23Å; D75-K114 WeakPolarHBondContact OD1-CE 3.45Å; D75-K114 IonicContact OD1-NZ 2.74Å; D75-K114 PolarHBondContact OD1-NZ 3.18Å; D75-D115 PolarHBondContact N-OD1 3.17Å; D75-D115 VanDerWaalsContact N-OD1 3.07Å
76L97.9Very high95.6Very high15 Ų1542.5 Ų42.58%0.07927%0.273CS..  trans-107.1116.1-179.4-172.462.4000111.6I56 L58 K72 P73 R74 V89 K114I56-L76 HydrophobicContact CG2-CD1 4.14Å; L58-L76 HydrophobicContact CD2-CD2 4.49Å; K72-L76 HydrophobicContact CG-CB 4.39Å; K72-L76 HydrophobicContact CG-CD2 4.14Å; K72-L76 PolarHBondContact NZ-O 2.8Å; P73-L76 HydrophobicContact CG-CB 4.17Å; P73-L76 HydrophobicContact CG-CD2 4.04Å; R74-L76 PolarHBondContact O-N 3.21Å; L76-V89 HydrophobicContact CD2-CG2 3.68Å; L76-V89 HydrophobicContact CG-CG2 3.85Å; L76-K114 PolarHBondContact N-O 3.23Å
77V97.5Very high95.6Very high21 Ų2143 Ų4313%0.12728%0.283CS..BIsolated β-bridgetrans-77.2144.1175.8176.50000109.9H79 N84 T88 V89 K114V77-H79 WeakPolarHBondContact CG1-O 3.41Å; V77-N84 HydrophobicContact CG1-CB 4.39Å; V77-N84 HydrophobicContact CG2-CB 4.27Å; V77-T88 HydrophobicContact CB-CG2 3.99Å; V77-T88 HydrophobicContact CG1-CG2 3.93Å; V77-T88 CarbonylContact O-C 3.33Å; V77-T88 WeakPolarHBondContact O-CA 3.47Å; V77-T88 WeakPolarHBondContact O-CB 3.47Å; V77-V89 PolarHBondContact O-N 3.46Å; V77-K114 HydrophobicContact CG2-CB 4.08Å; V77-K114 HydrophobicContact CG2-CD 3.84Å; V77-K114 HydrophobicContact CG2-CG 3.76Å
78V97.4Very high95.6Very high4 Ų443 Ų432%0.02428%0.283CS..SBendtrans-78.3-49-177.3169.30000113.5K72 V89 L90 I108 R111 L112 M120K72-V78 HydrophobicContact CD-CG2 3.81Å; V78-V89 HydrophobicContact CG2-CG2 4.41Å; V78-L90 PolarHBondContact O-N 3.23Å; V78-L90 VanDerWaalsContact O-N 3.11Å; V78-I108 HydrophobicContact CG1-CD1 4.08Å; V78-I108 HydrophobicContact CG1-CG2 3.72Å; V78-R111 HydrophobicContact CB-CB 4.5Å; V78-R111 HydrophobicContact CG1-CB 4.26Å; V78-L112 HydrophobicContact CG2-CB 4.49Å; V78-L112 WeakPolarHBondContact CG2-O 3.41Å; V78-M120 HydrophobicContact CB-CE 4.45Å; V78-M120 HydrophobicContact CG1-CE 3.67Å; V78-M120 HydrophobicContact CG1-SD 4.5Å; V78-M120 HydrophobicContact CG2-CE 3.89Å; V78-M120 HydrophobicContact CG2-SD 3.6Å
79H95.5Very high95.6Very high61 Ų6142.9 Ų42.928%0.28228%0.283SS..SBendtrans-136.1139.8-173.3-173.5-66.9000109.4V77V77-H79 WeakPolarHBondContact CG1-O 3.41Å
80P94.5Very high95.5Very high13 Ų1343.1 Ų43.18%0.08428%0.284CS..  trans-54146177.5-31.640000113.2F51 N84 P85 T88F51-P80 HydrophobicContact CD1-CB 3.75Å; F51-P80 HydrophobicContact CD1-CG 3.59Å; F51-P80 HydrophobicContact CE1-CB 3.42Å; F51-P80 VanDerWaalsContact CE1-CB 3.42Å; F51-P80 HydrophobicContact CE1-CG 3.75Å; F51-P80 HydrophobicContact CG-CG 4.03Å; F51-P80 HydrophobicContact CZ-CB 4Å; F51-P80 HydrophobicContact CZ-CG 4.27Å; P80-N84 WeakPolarHBondContact CA-O 3.25Å; P80-P85 WeakPolarHBondContact CB-O 3.45Å; P80-T88 VanDerWaalsContact CD-OG1 3.31Å; P80-T88 WeakPolarHBondContact CD-OG1 3.44Å; P80-T88 HydrophobicContact CG-CG2 3.98Å
81G89.4Confident95.5Very high44 Ų4443.1 Ų43.145%0.45428%0.284SS..BIsolated β-bridgetrans-170.7-174.8-179.400000112.6G83 N84G81-G83 PolarHBondContact O-N 2.89Å; G81-G83 VanDerWaalsContact O-N 3.08Å; G81-N84 PolarHBondContact N-O 3.41Å; G81-N84 CarbonylContact O-C 3.59Å; G81-N84 VanDerWaalsContact O-C 3.27Å; G81-N84 PolarHBondContact O-N 3.11Å; G81-N84 VanDerWaalsContact O-O 3.06Å
82A84.5Confident95.5Very high116 Ų11641.9 Ų41.996%0.95928%0.278SS*.THydrogen-bonded Turntrans-57.9118.1178.900000110.9
83G88.6Confident95.4Very high72 Ų7241.8 Ų41.874%0.74228%0.277SS*.THydrogen-bonded Turntrans93.9-12.8-178.200000115.6G81G81-G83 PolarHBondContact O-N 2.89Å; G81-G83 VanDerWaalsContact O-N 3.08Å
84N92.3Very high95.4Very high65 Ų6539.6 Ų39.635%0.34826%0.262SS..BIsolated β-bridgetrans-140.283174-62.6-91.6000108V77 P80 G81 D86V77-N84 HydrophobicContact CG1-CB 4.39Å; V77-N84 HydrophobicContact CG2-CB 4.27Å; P80-N84 WeakPolarHBondContact CA-O 3.25Å; G81-N84 PolarHBondContact N-O 3.41Å; G81-N84 CarbonylContact O-C 3.59Å; G81-N84 VanDerWaalsContact O-C 3.27Å; G81-N84 PolarHBondContact O-N 3.11Å; G81-N84 VanDerWaalsContact O-O 3.06Å; N84-D86 VanDerWaalsContact C-N 3.28Å
85P92.4Very high95.4Very high93 Ų9340 Ų4060%0.60427%0.267SS*.SBendtrans-71.1-25-176.229.7-33.9000112.9P80P80-P85 WeakPolarHBondContact CB-O 3.45Å
86D95.9Very high95.4Very high79 Ų7940.1 Ų40.142%0.42226%0.26SS..SBendtrans-149.4-165-179.264.8-14.1000109.6Q54 N84 T88 N91Q54-D86 PolarHBondContact NE2-OD2 3.14Å; N84-D86 VanDerWaalsContact C-N 3.28Å; D86-T88 WeakPolarHBondContact O-CG2 3.42Å; D86-N91 WeakPolarHBondContact CA-OD1 3.32Å
87G96.6Very high95.4Very high34 Ų3442.8 Ų42.835%0.35127%0.269SS..SBendtrans71.731.8-179.400000113Q54 N91Q54-G87 VanDerWaalsContact OE1-CA 3.3Å; G87-N91 PolarHBondContact N-OD1 2.66Å
88T97.9Very high95.3Very high0 Ų045.6 Ų45.60%029%0.288CS..BIsolated β-bridgetrans-116.6166.2-171.475.30000113.3V77 P80 D86 L90 N91 A92V77-T88 HydrophobicContact CB-CG2 3.99Å; V77-T88 HydrophobicContact CG1-CG2 3.93Å; V77-T88 CarbonylContact O-C 3.33Å; V77-T88 WeakPolarHBondContact O-CA 3.47Å; V77-T88 WeakPolarHBondContact O-CB 3.47Å; P80-T88 VanDerWaalsContact CD-OG1 3.31Å; P80-T88 WeakPolarHBondContact CD-OG1 3.44Å; P80-T88 HydrophobicContact CG-CG2 3.98Å; D86-T88 WeakPolarHBondContact O-CG2 3.42Å; T88-L90 PolarHBondContact O-N 3.27Å; T88-L90 PolarHBondContact OG1-N 3.47Å; T88-N91 WeakPolarHBondContact CB-OD1 3.41Å; T88-N91 PolarHBondContact N-OD1 3.03Å; T88-N91 WeakPolarHBondContact O-CB 3.45Å; T88-N91 PolarHBondContact O-N 2.8Å; T88-N91 PolarHBondContact OG1-N 3.29Å; T88-N91 PolarHBondContact OG1-OD1 3.34Å; T88-A92 PolarHBondContact O-N 3Å
89V98.4Very high95.2Very high0 Ų048.5 Ų48.50%031%0.307CS..Hα-helixtrans-53.5-37170.6177.10000111L58 I70 K72 L76 V77 V78 N91 A92 L93L58-V89 HydrophobicContact CD2-CG1 4.43Å; I70-V89 HydrophobicContact CD1-CG1 3.61Å; K72-V89 HydrophobicContact CD-CG2 4.07Å; K72-V89 HydrophobicContact CG-CG2 4.13Å; L76-V89 HydrophobicContact CD2-CG2 3.68Å; L76-V89 HydrophobicContact CG-CG2 3.85Å; V77-V89 PolarHBondContact O-N 3.46Å; V78-V89 HydrophobicContact CG2-CG2 4.41Å; V89-N91 PolarHBondContact O-N 3.11Å; V89-A92 WeakPolarHBondContact O-CB 3.47Å; V89-A92 PolarHBondContact O-N 3.32Å; V89-L93 HydrophobicContact CG1-CD1 3.87Å; V89-L93 HydrophobicContact CG1-CG 4.12Å; V89-L93 WeakPolarHBondContact O-CB 3.27Å; V89-L93 VanDerWaalsContact O-CG 3.25Å; V89-L93 WeakPolarHBondContact O-CG 3.4Å; V89-L93 PolarHBondContact O-N 3.24Å
90L97.8Very high95.2Very high5 Ų545.6 Ų45.63%0.02629%0.294CS..Hα-helixtrans-59.9-45.3175.1-175.5150.1000111.8F51 V78 T88 A92 L93 L94 A106 I108F51-L90 HydrophobicContact CB-CD2 3.54Å; F51-L90 HydrophobicContact CD2-CD1 4.14Å; F51-L90 HydrophobicContact CD2-CD2 3.71Å; F51-L90 HydrophobicContact CE2-CD1 4.45Å; F51-L90 HydrophobicContact CG-CD2 3.82Å; V78-L90 PolarHBondContact O-N 3.23Å; V78-L90 VanDerWaalsContact O-N 3.11Å; T88-L90 PolarHBondContact O-N 3.27Å; T88-L90 PolarHBondContact OG1-N 3.47Å; L90-A92 VanDerWaalsContact C-N 3.3Å; L90-A92 PolarHBondContact O-N 2.97Å; L90-L93 PolarHBondContact O-N 2.73Å; L90-L94 HydrophobicContact CD2-CD1 3.6Å; L90-L94 HydrophobicContact CD2-CG 4.19Å; L90-L94 WeakPolarHBondContact O-CG 3.35Å; L90-L94 PolarHBondContact O-N 3.49Å; L90-A106 HydrophobicContact CD1-CB 4.23Å; L90-A106 HydrophobicContact CG-CB 3.89Å; L90-I108 HydrophobicContact CB-CD1 3.88Å; L90-I108 HydrophobicContact CD1-CD1 4.5Å
91N97.9Very high95.2Very high1 Ų148 Ų481%0.00532%0.315CS..Hα-helixtrans-64.2-38.6177.9-56.797.9000111.4E52 Q54 I56 D86 G87 T88 V89 H95E52-N91 PolarHBondContact O-ND2 2.79Å; Q54-N91 HydrophobicContact CB-CB 3.92Å; Q54-N91 HydrophobicContact CG-CB 4.01Å; Q54-N91 PolarHBondContact N-O 3.02Å; I56-N91 HydrophobicContact CD1-CB 4.49Å; D86-N91 WeakPolarHBondContact CA-OD1 3.32Å; G87-N91 PolarHBondContact N-OD1 2.66Å; T88-N91 WeakPolarHBondContact CB-OD1 3.41Å; T88-N91 PolarHBondContact N-OD1 3.03Å; T88-N91 WeakPolarHBondContact O-CB 3.45Å; T88-N91 PolarHBondContact O-N 2.8Å; T88-N91 PolarHBondContact OG1-N 3.29Å; T88-N91 PolarHBondContact OG1-OD1 3.34Å; V89-N91 PolarHBondContact O-N 3.11Å; N91-H95 PolarHBondContact O-N 3.33Å
92A98.2Very high95.2Very high1 Ų152.4 Ų52.41%0.00833%0.328CS..Hα-helixtrans-63.5-43.6175.200000112.2I56 L58 T88 V89 L90 H95 Y96I56-A92 HydrophobicContact CB-CB 3.76Å; I56-A92 HydrophobicContact CG2-CB 4.02Å; L58-A92 HydrophobicContact CD1-CB 3.85Å; L58-A92 HydrophobicContact CD2-CB 3.89Å; L58-A92 HydrophobicContact CG-CB 3.81Å; T88-A92 PolarHBondContact O-N 3Å; V89-A92 WeakPolarHBondContact O-CB 3.47Å; V89-A92 PolarHBondContact O-N 3.32Å; L90-A92 VanDerWaalsContact C-N 3.3Å; L90-A92 PolarHBondContact O-N 2.97Å; A92-H95 PolarHBondContact O-N 3.45Å; A92-Y96 WeakPolarHBondContact O-CB 3.26Å; A92-Y96 PolarHBondContact O-N 2.86Å
93L98Very high95.5Very high0 Ų047.2 Ų47.20%028%0.284CS..Hα-helixtrans-64.8-41.6178.1-73.5168.2000112L58 I68 V89 L90 H95 Y96 Y97 I100 I108 V122L58-L93 HydrophobicContact CD1-CD2 3.88Å; L58-L93 HydrophobicContact CD1-CG 4.18Å; I68-L93 HydrophobicContact CD1-CD2 4.39Å; V89-L93 HydrophobicContact CG1-CD1 3.87Å; V89-L93 HydrophobicContact CG1-CG 4.12Å; V89-L93 WeakPolarHBondContact O-CB 3.27Å; V89-L93 VanDerWaalsContact O-CG 3.25Å; V89-L93 WeakPolarHBondContact O-CG 3.4Å; V89-L93 PolarHBondContact O-N 3.24Å; L90-L93 PolarHBondContact O-N 2.73Å; L93-H95 PolarHBondContact O-N 3.12Å; L93-Y96 PolarHBondContact O-N 2.65Å; L93-Y97 CarbonylContact O-C 3.44Å; L93-Y97 PolarHBondContact O-N 2.88Å; L93-I100 HydrophobicContact CB-CG2 4.28Å; L93-I100 HydrophobicContact CD2-CD1 4.38Å; L93-I108 HydrophobicContact CD1-CD1 4.04Å; L93-I108 HydrophobicContact CD1-CG1 3.81Å; L93-V122 HydrophobicContact CD1-CG1 3.76Å; L93-V122 HydrophobicContact CD1-CG2 4.07Å; L93-V122 HydrophobicContact CD2-CG1 4.08Å; L93-V122 HydrophobicContact CD2-CG2 4.46Å
94L97.2Very high95.6Very high21 Ų2146.8 Ų46.811%0.1127%0.269CS..Hα-helixtrans-61.9-32.3175.3-71.1176000112.3F51 P53 L90 P98 I100 A101F51-L94 HydrophobicContact CB-CD1 4.17Å; F51-L94 VanDerWaalsContact O-CD1 3.28Å; F51-L94 WeakPolarHBondContact O-CD1 3.34Å; P53-L94 HydrophobicContact CB-CB 3.95Å; L90-L94 HydrophobicContact CD2-CD1 3.6Å; L90-L94 HydrophobicContact CD2-CG 4.19Å; L90-L94 WeakPolarHBondContact O-CG 3.35Å; L90-L94 PolarHBondContact O-N 3.49Å; L94-P98 WeakPolarHBondContact O-CA 3.45Å; L94-I100 HydrophobicContact CD2-CG2 4.14Å; L94-A101 HydrophobicContact CD2-CB 3.76Å
95H97.7Very high95.6Very high86 Ų8652.1 Ų52.140%0.39828%0.284SS..Hα-helixtrans-75.8-47174.7-178.177.6000112.1P53 Q54 D55 N91 A92 L93P53-H95 HydrophobicContact CB-CB 4.02Å; Q54-H95 WeakPolarHBondContact O-CB 3.23Å; D55-H95 IonicContact OD1-CD2 3.96Å; D55-H95 IonicContact OD1-NE2 3.64Å; N91-H95 PolarHBondContact O-N 3.33Å; A92-H95 PolarHBondContact O-N 3.45Å; L93-H95 PolarHBondContact O-N 3.12Å
96Y98.1Very high95.7Very high112 Ų11248 Ų4844%0.43926%0.257SS..Hα-helixtrans-67.2-47.2-175.7179-101.5000113I60 E63 I68 A92 L93I60-Y96 HydrophobicContact CD1-CD1 4.09Å; I60-Y96 HydrophobicContact CD1-CD2 4.23Å; I60-Y96 HydrophobicContact CD1-CE1 3.44Å; I60-Y96 VanDerWaalsContact CD1-CE1 3.44Å; I60-Y96 HydrophobicContact CD1-CE2 3.6Å; I60-Y96 HydrophobicContact CD1-CG 4.45Å; I60-Y96 WeakPolarHBondContact CD1-OH 3.41Å; E63-Y96 PolarHBondContact OE2-OH 2.71Å; I68-Y96 HydrophobicContact CD1-CD1 4.29Å; I68-Y96 HydrophobicContact CD1-CE1 4.21Å; A92-Y96 WeakPolarHBondContact O-CB 3.26Å; A92-Y96 PolarHBondContact O-N 2.86Å; L93-Y96 PolarHBondContact O-N 2.65Å
97Y97.6Very high95.7Very high70 Ų7044.2 Ų44.228%0.27524%0.237SC..  trans-13480.9-179.1-176.4-122000109.7L93 P99 I100 K124L93-Y97 CarbonylContact O-C 3.44Å; L93-Y97 PolarHBondContact O-N 2.88Å; Y97-P99 VanDerWaalsContact C-N 3.31Å; Y97-P99 HydrophobicContact CD2-CG 4.28Å; Y97-P99 HydrophobicContact CE1-CB 4.09Å; Y97-P99 HydrophobicContact CE2-CB 4.17Å; Y97-P99 HydrophobicContact CE2-CG 3.82Å; Y97-P99 VanDerWaalsContact O-N 3.13Å; Y97-I100 HydrophobicContact CD1-CB 3.78Å; Y97-I100 HydrophobicContact CD1-CD1 4.4Å; Y97-I100 HydrophobicContact CD1-CG1 4.29Å; Y97-I100 HydrophobicContact CE1-CB 4.39Å; Y97-I100 VanDerWaalsContact O-CB 3.23Å; Y97-I100 WeakPolarHBondContact O-CB 3.22Å; Y97-I100 WeakPolarHBondContact O-CG2 3.35Å; Y97-I100 PolarHBondContact O-N 3.24Å; Y97-K124 HydrophobicContact CD1-CB 4.45Å; Y97-K124 HydrophobicContact CD1-CG 4.33Å; Y97-K124 HydrophobicContact CE1-CB 3.97Å; Y97-K124 HydrophobicContact CE1-CG 4.3Å
98P96Very high95.8Very high80 Ų8043.1 Ų43.152%0.51922%0.223SC..G310 helixtrans-50.7-36.1-175.7-27.834.4000116.2L94 I100 A101L94-P98 WeakPolarHBondContact O-CA 3.45Å; P98-I100 PolarHBondContact O-N 3.13Å; P98-A101 WeakPolarHBondContact O-CB 3.35Å; P98-A101 PolarHBondContact O-N 3.06Å; P98-A101 VanDerWaalsContact O-N 3.14Å
99P95.6Very high95.6Very high66 Ų6644.3 Ų44.343%0.42923%0.23SC..G310 helixtrans-60-16.2176-24.835.3000114.7Y97 A101 D102Y97-P99 VanDerWaalsContact C-N 3.31Å; Y97-P99 HydrophobicContact CD2-CG 4.28Å; Y97-P99 HydrophobicContact CE1-CB 4.09Å; Y97-P99 HydrophobicContact CE2-CB 4.17Å; Y97-P99 HydrophobicContact CE2-CG 3.82Å; Y97-P99 VanDerWaalsContact O-N 3.13Å; P99-A101 PolarHBondContact O-N 2.94Å; P99-A101 VanDerWaalsContact O-N 3.13Å; P99-D102 PolarHBondContact O-N 3.48Å
100I95.6Very high95.5Very high0 Ų045.1 Ų45.10%023%0.234CC..G310 helixtrans-63.9-15.9176.2-146.4168000113.1L93 L94 Y97 P98 D102 V103 A106 V122L93-I100 HydrophobicContact CB-CG2 4.28Å; L93-I100 HydrophobicContact CD2-CD1 4.38Å; L94-I100 HydrophobicContact CD2-CG2 4.14Å; Y97-I100 HydrophobicContact CD1-CB 3.78Å; Y97-I100 HydrophobicContact CD1-CD1 4.4Å; Y97-I100 HydrophobicContact CD1-CG1 4.29Å; Y97-I100 HydrophobicContact CE1-CB 4.39Å; Y97-I100 VanDerWaalsContact O-CB 3.23Å; Y97-I100 WeakPolarHBondContact O-CB 3.22Å; Y97-I100 WeakPolarHBondContact O-CG2 3.35Å; Y97-I100 PolarHBondContact O-N 3.24Å; P98-I100 PolarHBondContact O-N 3.13Å; I100-D102 PolarHBondContact O-N 3.34Å; I100-V103 HydrophobicContact CG1-CB 4.33Å; I100-V103 HydrophobicContact CG1-CG2 4.28Å; I100-V103 WeakPolarHBondContact O-CB 3.32Å; I100-V103 PolarHBondContact O-N 3.06Å; I100-A106 VanDerWaalsContact CD1-O 3.3Å; I100-A106 WeakPolarHBondContact CD1-O 3.38Å; I100-A106 HydrophobicContact CG2-CB 3.97Å; I100-V122 HydrophobicContact CD1-CG1 3.72Å
101A93.7Very high95.3Very high64 Ų6451.3 Ų51.353%0.52926%0.257SS..G310 helixtrans-55.5-31.317500000112.7L94 P98 P99 V103L94-A101 HydrophobicContact CD2-CB 3.76Å; P98-A101 WeakPolarHBondContact O-CB 3.35Å; P98-A101 PolarHBondContact O-N 3.06Å; P98-A101 VanDerWaalsContact O-N 3.14Å; P99-A101 PolarHBondContact O-N 2.94Å; P99-A101 VanDerWaalsContact O-N 3.13Å; A101-V103 PolarHBondContact O-N 2.85Å
102D90.2Very high95.2Very high136 Ų13651.5 Ų51.573%0.72726%0.258SS*.G310 helixtrans-75.6-12.8178-63-32.3000112.9P99 I100P99-D102 PolarHBondContact O-N 3.48Å; I100-D102 PolarHBondContact O-N 3.34Å
103V90.7Very high95.1Very high6 Ų652.2 Ų52.24%0.03626%0.262CS..SBendtrans-91.2131.6179.4-1720000109.4I100 A101 R105 A106 K124 V126 Q129I100-V103 HydrophobicContact CG1-CB 4.33Å; I100-V103 HydrophobicContact CG1-CG2 4.28Å; I100-V103 WeakPolarHBondContact O-CB 3.32Å; I100-V103 PolarHBondContact O-N 3.06Å; A101-V103 PolarHBondContact O-N 2.85Å; V103-R105 PolarHBondContact O-N 2.76Å; V103-R105 VanDerWaalsContact O-N 3.14Å; V103-A106 WeakPolarHBondContact O-CA 3.33Å; V103-A106 PolarHBondContact O-N 3.4Å; V103-K124 WeakPolarHBondContact CG2-O 3.31Å; V103-V126 HydrophobicContact CG2-CG2 4.42Å; V103-Q129 HydrophobicContact CG1-CB 3.62Å; V103-Q129 HydrophobicContact CG1-CG 3.8Å
104P89.6Confident95Very high64 Ų6456 Ų5642%0.41628%0.278SS..G310 helixtrans-50.7124.6179.9-28.834.7000112.6A106 G107P104-A106 VanDerWaalsContact C-N 3.29Å; P104-A106 PolarHBondContact O-N 2.71Å; P104-G107 PolarHBondContact O-N 2.94Å
105R92.6Very high95.1Very high176 Ų17656.7 Ų56.766%0.66428%0.282SS*.G310 helixtrans5736-176.2-59.8-179.4163.9-177.7-2.8114V103 G107 I108V103-R105 PolarHBondContact O-N 2.76Å; V103-R105 VanDerWaalsContact O-N 3.14Å; R105-G107 PolarHBondContact O-N 2.94Å; R105-I108 WeakPolarHBondContact O-CB 3.3Å; R105-I108 WeakPolarHBondContact O-CG1 3.33Å; R105-I108 PolarHBondContact O-N 2.88Å; R105-I108 VanDerWaalsContact O-N 3.11Å
106A95.3Very high95.1Very high6 Ų652.7 Ų52.75%0.0526%0.264CS..G310 helixtrans51.939-175.600000112.2L90 I100 V103 P104 I108 V122L90-A106 HydrophobicContact CD1-CB 4.23Å; L90-A106 HydrophobicContact CG-CB 3.89Å; I100-A106 VanDerWaalsContact CD1-O 3.3Å; I100-A106 WeakPolarHBondContact CD1-O 3.38Å; I100-A106 HydrophobicContact CG2-CB 3.97Å; V103-A106 WeakPolarHBondContact O-CA 3.33Å; V103-A106 PolarHBondContact O-N 3.4Å; P104-A106 VanDerWaalsContact C-N 3.29Å; P104-A106 PolarHBondContact O-N 2.71Å; A106-I108 PolarHBondContact O-N 3.05Å; A106-V122 WeakPolarHBondContact O-CG1 3.21Å
107G95.5Very high95.1Very high0 Ų047.8 Ų47.80%025%0.246CC..G310 helixtrans76.6-1.7177.900000116.3P104 R105 V109 A123P104-G107 PolarHBondContact O-N 2.94Å; R105-G107 PolarHBondContact O-N 2.94Å; G107-V109 PolarHBondContact O-N 3.48Å; G107-V109 VanDerWaalsContact O-N 3.16Å; G107-A123 WeakPolarHBondContact CA-O 3.11Å; G107-A123 PolarHBondContact O-N 3Å
108I97.2Very high95.2Very high11 Ų1144.4 Ų44.46%0.05623%0.232CC..BIsolated β-bridgetrans-73.4107.8-177.9-61.1170.5000110.1V78 L90 L93 R105 A106 H110 M120V78-I108 HydrophobicContact CG1-CD1 4.08Å; V78-I108 HydrophobicContact CG1-CG2 3.72Å; L90-I108 HydrophobicContact CB-CD1 3.88Å; L90-I108 HydrophobicContact CD1-CD1 4.5Å; L93-I108 HydrophobicContact CD1-CD1 4.04Å; L93-I108 HydrophobicContact CD1-CG1 3.81Å; R105-I108 WeakPolarHBondContact O-CB 3.3Å; R105-I108 WeakPolarHBondContact O-CG1 3.33Å; R105-I108 PolarHBondContact O-N 2.88Å; R105-I108 VanDerWaalsContact O-N 3.11Å; A106-I108 PolarHBondContact O-N 3.05Å; I108-H110 WeakPolarHBondContact CG2-O 3.28Å; I108-M120 HydrophobicContact CG2-CE 4.3Å
109V95.2Very high95.3Very high25 Ų2540.7 Ų40.715%0.15221%0.208CC..  trans-97.4-20.6-179.6-62.10000113.9G107 V121 Q129 L132 V133 L136G107-V109 PolarHBondContact O-N 3.48Å; G107-V109 VanDerWaalsContact O-N 3.16Å; V109-V121 HydrophobicContact CG2-CG1 4.16Å; V109-Q129 HydrophobicContact CG1-CG 4.11Å; V109-L132 HydrophobicContact CG1-CB 4.04Å; V109-L132 HydrophobicContact CG2-CB 4.25Å; V109-L132 HydrophobicContact CG2-CD1 4.31Å; V109-V133 HydrophobicContact CB-CG2 4.3Å; V109-V133 HydrophobicContact CG1-CG2 3.86Å; V109-L136 HydrophobicContact CB-CD1 3.78Å; V109-L136 HydrophobicContact CG2-CD1 3.85Å; V109-L136 WeakPolarHBondContact O-CD1 3.32Å
110H94.9Very high95.4Very high17 Ų1737.6 Ų37.68%0.07919%0.188CC..SBendtrans-144.1173.9175.977.895.4000111.4I108 M120 V121 L136I108-H110 WeakPolarHBondContact CG2-O 3.28Å; H110-M120 WeakPolarHBondContact O-CE 3.37Å; H110-V121 PolarHBondContact NE2-N 2.91Å; H110-V121 VanDerWaalsContact NE2-N 3.17Å; H110-L136 HydrophobicContact CB-CD1 4.4Å
111R93.9Very high95.5Very high135 Ų13537.6 Ų37.651%0.50919%0.188SC..  trans-137.9150.9-172.765.2-179.8-70.9163.40.7112.7V78V78-R111 HydrophobicContact CB-CB 4.5Å; V78-R111 HydrophobicContact CG1-CB 4.26Å
112L96.7Very high95.8Very high5 Ų534.5 Ų34.53%0.02616%0.163CC..  trans-110.9158.7163.1-61.7-179.5000109.7K72 V78 T116 M120 Y145 A255K72-L112 HydrophobicContact CB-CD1 4.29Å; K72-L112 HydrophobicContact CD-CB 4.35Å; V78-L112 HydrophobicContact CG2-CB 4.49Å; V78-L112 WeakPolarHBondContact CG2-O 3.41Å; L112-T116 HydrophobicContact CB-CG2 4.35Å; L112-T116 HydrophobicContact CD2-CG2 4.13Å; L112-M120 HydrophobicContact CB-SD 4.31Å; L112-M120 HydrophobicContact CD1-CG 3.66Å; L112-M120 HydrophobicContact CD1-SD 4.11Å; L112-M120 HydrophobicContact CG-CG 3.81Å; L112-M120 HydrophobicContact CG-SD 4.01Å; L112-Y145 HydrophobicContact CD2-CE1 3.7Å; L112-A255 HydrophobicContact CD1-CB 4.08Å; L112-A255 HydrophobicContact CD2-CB 4Å
113D95.8Very high96.2Very high17 Ų1728 Ų289%0.09113%0.128CC..  trans-71.2161.6170.7-66.5-15.5000110.4K72 D115 T116 H208 R211K72-D113 WeakPolarHBondContact CE-O 3.17Å; K72-D113 PolarHBondContact NZ-O 2.85Å; D113-D115 VanDerWaalsContact C-N 3.29Å; D113-D115 PolarHBondContact O-N 3.45Å; D113-T116 PolarHBondContact O-N 2.98Å; D113-T116 VanDerWaalsContact O-N 3.08Å; D113-H208 VanDerWaalsContact CG-CD2 3.49Å; D113-H208 IonicContact OD1-CD2 3.64Å; D113-H208 PolarHBondContact OD1-CD2 3.24Å; D113-H208 IonicContact OD2-CD2 3.38Å; D113-H208 PolarHBondContact OD2-CD2 2.99Å; D113-H208 IonicContact OD2-CG 3.19Å; D113-H208 IonicContact OD2-NE2 3.88Å; D113-R211 WeakPolarHBondContact OD2-CD 3.16Å; D113-R211 IonicContact OD2-CZ 3.59Å; D113-R211 IonicContact OD2-NE 2.83Å; D113-R211 IonicContact OD2-NH1 2.69Å; D113-R211 PolarHBondContact OD2-NH1 2.92Å
114K96.8Very high96.5Very high79 Ų7928.9 Ų28.934%0.34313%0.131SC..THydrogen-bonded Turntrans-48.7-51.2-178.3-176.9178.9176.2-171.70111.9K72 D75 L76 V77K72-K114 PolarHBondContact NZ-O 3.29Å; D75-K114 PolarHBondContact N-O 2.95Å; D75-K114 WeakPolarHBondContact O-CE 3.23Å; D75-K114 WeakPolarHBondContact OD1-CE 3.45Å; D75-K114 IonicContact OD1-NZ 2.74Å; D75-K114 PolarHBondContact OD1-NZ 3.18Å; L76-K114 PolarHBondContact N-O 3.23Å; V77-K114 HydrophobicContact CG2-CB 4.08Å; V77-K114 HydrophobicContact CG2-CD 3.84Å; V77-K114 HydrophobicContact CG2-CG 3.76Å
115D98Very high96.6Very high35 Ų3527.6 Ų27.619%0.18712%0.122CC..THydrogen-bonded Turntrans-99.612.9-177.3-54.3-56.9000114D75 D113 R250 Q251D75-D115 PolarHBondContact N-OD1 3.17Å; D75-D115 VanDerWaalsContact N-OD1 3.07Å; D113-D115 VanDerWaalsContact C-N 3.29Å; D113-D115 PolarHBondContact O-N 3.45Å; D115-R250 HydrophobicContact CB-CB 3.74Å; D115-R250 WeakPolarHBondContact O-CD 3.26Å; D115-R250 PolarHBondContact O-NH1 2.86Å; D115-Q251 VanDerWaalsContact C-NE2 3.33Å
116T98.3Very high96.4Very high3 Ų322.7 Ų22.72%0.01811%0.112CC..  trans-89.1125.1167.8-63.80000108.6K72 L112 D113 Q251 L253K72-T116 WeakPolarHBondContact CE-O 3.16Å; K72-T116 PolarHBondContact NZ-O 2.92Å; L112-T116 HydrophobicContact CB-CG2 4.35Å; L112-T116 HydrophobicContact CD2-CG2 4.13Å; D113-T116 PolarHBondContact O-N 2.98Å; D113-T116 VanDerWaalsContact O-N 3.08Å; T116-Q251 PolarHBondContact OG1-NE2 3.25Å; T116-L253 HydrophobicContact CG2-CB 4.41Å; T116-L253 HydrophobicContact CG2-CD2 4.07Å; T116-L253 HydrophobicContact CG2-CG 3.94Å
117T98.6Very high96.1Very high8 Ų826 Ų265%0.04913%0.133CC..EExtended strand (participates in β ladder)trans-90167178.651.70000111.7K72 R74 H254 A255K72-T117 CarbonylContact O-C 3.59Å; K72-T117 WeakPolarHBondContact O-CA 3.47Å; R74-T117 HydrophobicContact CB-CG2 4.1Å; T117-H254 CarbonylContact O-C 3.59Å; T117-H254 WeakPolarHBondContact O-CA 3.33Å; T117-H254 PolarHBondContact O-ND1 2.85Å; T117-H254 PolarHBondContact OG1-ND1 3.48Å; T117-A255 PolarHBondContact O-N 2.94Å
118G98.3Very high96.1Very high0 Ų026 Ų260%013%0.133CC..EExtended strand (participates in β ladder)trans111.2-162.6164.700000115.4N71 K72 H254 A255N71-G118 WeakPolarHBondContact OD1-CA 3.32Å; K72-G118 PolarHBondContact N-O 2.88Å; K72-G118 PolarHBondContact O-N 3.16Å; G118-H254 WeakPolarHBondContact CA-CE1 3.41Å; G118-A255 WeakPolarHBondContact CA-O 3.39Å
119L98.4Very high96Very high2 Ų227 Ų271%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-66.7135.3-164.1-62.8174.6000114.5V61 I69 I70 A255 L258 W271 A273V61-L119 HydrophobicContact CG2-CD2 4.06Å; I69-L119 HydrophobicContact CG2-CD2 3.78Å; I70-L119 CarbonylContact O-C 3.51Å; I70-L119 VanDerWaalsContact O-CA 3.28Å; I70-L119 WeakPolarHBondContact O-CA 3.44Å; L119-A255 PolarHBondContact N-O 2.91Å; L119-L258 HydrophobicContact CB-CB 4.24Å; L119-L258 HydrophobicContact CD1-CB 3.89Å; L119-W271 HydrophobicContact CD1-CB 4.26Å; L119-W271 WeakPolarHBondContact CD1-O 3.47Å; L119-A273 HydrophobicContact CD1-CB 4.44Å; L119-A273 HydrophobicContact CD2-CB 3.76Å; L119-A273 HydrophobicContact CG-CB 3.72Å
120M98.4Very high95.7Very high0 Ų028.8 Ų28.80%015%0.148CC..EExtended strand (participates in β ladder)trans-132.3145.5163.9-67.1-176.451.800110.7I69 I70 K72 V78 I108 H110 L112I69-M120 VanDerWaalsContact CA-O 3.32Å; I69-M120 WeakPolarHBondContact CA-O 2.83Å; I70-M120 HydrophobicContact CD1-CB 4.24Å; I70-M120 HydrophobicContact CG1-CB 3.77Å; I70-M120 PolarHBondContact N-O 2.93Å; I70-M120 PolarHBondContact O-N 2.81Å; K72-M120 HydrophobicContact CB-SD 4.43Å; K72-M120 HydrophobicContact CD-SD 3.96Å; V78-M120 HydrophobicContact CB-CE 4.45Å; V78-M120 HydrophobicContact CG1-CE 3.67Å; V78-M120 HydrophobicContact CG1-SD 4.5Å; V78-M120 HydrophobicContact CG2-CE 3.89Å; V78-M120 HydrophobicContact CG2-SD 3.6Å; I108-M120 HydrophobicContact CG2-CE 4.3Å; H110-M120 WeakPolarHBondContact O-CE 3.37Å; L112-M120 HydrophobicContact CB-SD 4.31Å; L112-M120 HydrophobicContact CD1-CG 3.66Å; L112-M120 HydrophobicContact CD1-SD 4.11Å; L112-M120 HydrophobicContact CG-CG 3.81Å; L112-M120 HydrophobicContact CG-SD 4.01Å
121V98.4Very high95.7Very high0 Ų033.6 Ų33.60%017%0.165CC..EExtended strand (participates in β ladder)trans-106.6134.5171.2580000108.5I67 I68 I69 V109 H110 L132 L258 L260I67-V121 HydrophobicContact CB-CG2 4.37Å; I67-V121 HydrophobicContact CG2-CG2 4.42Å; I68-V121 WeakPolarHBondContact O-CA 3.47Å; I69-V121 HydrophobicContact CD1-CB 3.58Å; I69-V121 HydrophobicContact CD1-CG2 3.63Å; V109-V121 HydrophobicContact CG2-CG1 4.16Å; H110-V121 PolarHBondContact NE2-N 2.91Å; H110-V121 VanDerWaalsContact NE2-N 3.17Å; V121-L132 HydrophobicContact CG2-CD1 3.84Å; V121-L258 HydrophobicContact CB-CD2 3.81Å; V121-L258 HydrophobicContact CG1-CD1 4.43Å; V121-L258 HydrophobicContact CG1-CD2 3.93Å; V121-L260 HydrophobicContact CB-CD2 4.37Å; V121-L260 HydrophobicContact CG1-CD2 4.12Å; V121-L260 HydrophobicContact CG2-CD2 4.16Å
122V98.6Very high95.7Very high0 Ų027.1 Ų27.10%014%0.141CC..EExtended strand (participates in β ladder)trans-127.5133.5-179.5-179.70000107.8I67 I68 L93 I100 A106I67-V122 CarbonylContact C-O 3.46Å; I67-V122 VanDerWaalsContact CA-O 3.29Å; I67-V122 WeakPolarHBondContact CA-O 3.46Å; I68-V122 HydrophobicContact CB-CB 4.36Å; I68-V122 PolarHBondContact N-O 2.87Å; I68-V122 PolarHBondContact O-N 2.79Å; L93-V122 HydrophobicContact CD1-CG1 3.76Å; L93-V122 HydrophobicContact CD1-CG2 4.07Å; L93-V122 HydrophobicContact CD2-CG1 4.08Å; L93-V122 HydrophobicContact CD2-CG2 4.46Å; I100-V122 HydrophobicContact CD1-CG1 3.72Å; A106-V122 WeakPolarHBondContact O-CG1 3.21Å
123A98Very high95.6Very high0 Ų028.9 Ų28.90%015%0.152CC..EExtended strand (participates in β ladder)trans-85.7131.6173.700000111.6G107 A128 Q129 L132G107-A123 WeakPolarHBondContact CA-O 3.11Å; G107-A123 PolarHBondContact O-N 3Å; A123-A128 HydrophobicContact CB-CB 3.98Å; A123-Q129 VanDerWaalsContact CB-CA 3.4Å; A123-Q129 HydrophobicContact CB-CB 3.62Å; A123-Q129 HydrophobicContact CB-CG 4.34Å; A123-Q129 VanDerWaalsContact CB-N 3.29Å; A123-L132 HydrophobicContact CB-CD1 4.07Å
124K97.5Very high95.4Very high24 Ų2432 Ų3210%0.10417%0.166CC..SBendtrans-84.8-19.9174.4-66.6176.762.5168.90113.2E63 D64 D66 I68 Y97 V103E63-K124 HydrophobicContact CG-CD 4.27Å; E63-K124 IonicContact OE1-NZ 2.71Å; E63-K124 PolarHBondContact OE1-NZ 3.45Å; D64-K124 VanDerWaalsContact O-CD 3.26Å; D64-K124 WeakPolarHBondContact O-CD 3.43Å; D64-K124 WeakPolarHBondContact O-CE 3.35Å; D64-K124 PolarHBondContact O-NZ 2.82Å; D66-K124 PolarHBondContact O-N 3.33Å; I68-K124 HydrophobicContact CD1-CD 4.06Å; I68-K124 HydrophobicContact CD1-CG 3.9Å; I68-K124 HydrophobicContact CG1-CD 3.61Å; I68-K124 HydrophobicContact CG1-CG 3.63Å; Y97-K124 HydrophobicContact CD1-CB 4.45Å; Y97-K124 HydrophobicContact CD1-CG 4.33Å; Y97-K124 HydrophobicContact CE1-CB 3.97Å; Y97-K124 HydrophobicContact CE1-CG 4.3Å; V103-K124 WeakPolarHBondContact CG2-O 3.31Å
125T92.5Very high95.3Very high37 Ų3729 Ų2923%0.22716%0.155CC..SBendtrans-128.4153.2-174.872.30000111.7D66 A128 Q129D66-T125 PolarHBondContact OD1-OG1 3.06Å; T125-A128 PolarHBondContact O-N 3.07Å; T125-A128 VanDerWaalsContact OG1-CB 3.24Å; T125-A128 WeakPolarHBondContact OG1-CB 3.34Å; T125-A128 PolarHBondContact OG1-N 3.17Å; T125-Q129 WeakPolarHBondContact O-CB 3.38Å; T125-Q129 PolarHBondContact O-N 3.34Å
126V88.7Confident95Very high73 Ų7328.7 Ų28.744%0.44215%0.153SC..Hα-helixtrans-59.4-43176.9176.20000112.6V103 Q129 T130V103-V126 HydrophobicContact CG2-CG2 4.42Å; V126-Q129 PolarHBondContact O-N 2.82Å; V126-T130 PolarHBondContact O-N 3.17Å; V126-T130 PolarHBondContact O-OG1 2.99Å
127P89.2Confident94.7Very high75 Ų7535.5 Ų35.549%0.48718%0.184SC..Hα-helixtrans-61.1-43.3174.1-24.435.8000113T130 R131 I264P127-T130 PolarHBondContact O-N 3.06Å; P127-R131 PolarHBondContact O-N 3.29Å; P127-R131 VanDerWaalsContact O-N 3.1Å; P127-I264 HydrophobicContact CB-CD1 4.13Å
128A95.4Very high94.4Very high0 Ų042.8 Ų42.80%021%0.211CC..Hα-helixtrans-63.3-42.9177.700000111.6D66 A123 T125 T130 R131 L132 P263D66-A128 HydrophobicContact CB-CB 4.08Å; D66-A128 WeakPolarHBondContact O-CB 3.28Å; A123-A128 HydrophobicContact CB-CB 3.98Å; T125-A128 PolarHBondContact O-N 3.07Å; T125-A128 VanDerWaalsContact OG1-CB 3.24Å; T125-A128 WeakPolarHBondContact OG1-CB 3.34Å; T125-A128 PolarHBondContact OG1-N 3.17Å; A128-T130 VanDerWaalsContact C-N 3.35Å; A128-T130 PolarHBondContact O-N 2.82Å; A128-R131 PolarHBondContact O-N 3.29Å; A128-L132 WeakPolarHBondContact O-CB 3.36Å; A128-L132 WeakPolarHBondContact O-CG 3.4Å; A128-L132 PolarHBondContact O-N 2.94Å; A128-P263 HydrophobicContact CB-CB 4.25Å; A128-P263 HydrophobicContact CB-CG 3.86Å
129Q94.1Very high94.2Very high31 Ų3150.3 Ų50.315%0.14524%0.24CC..Hα-helixtrans-59.9-45.9177.6-171.5-81.5-15.400111.4V103 V109 A123 T125 V126 L132 V133V103-Q129 HydrophobicContact CG1-CB 3.62Å; V103-Q129 HydrophobicContact CG1-CG 3.8Å; V109-Q129 HydrophobicContact CG1-CG 4.11Å; A123-Q129 VanDerWaalsContact CB-CA 3.4Å; A123-Q129 HydrophobicContact CB-CB 3.62Å; A123-Q129 HydrophobicContact CB-CG 4.34Å; A123-Q129 VanDerWaalsContact CB-N 3.29Å; T125-Q129 WeakPolarHBondContact O-CB 3.38Å; T125-Q129 PolarHBondContact O-N 3.34Å; V126-Q129 PolarHBondContact O-N 2.82Å; Q129-L132 PolarHBondContact O-N 2.63Å; Q129-V133 VanDerWaalsContact O-CG2 3.32Å; Q129-V133 WeakPolarHBondContact O-CG2 3.21Å; Q129-V133 PolarHBondContact O-N 2.9Å
130T88.8Confident94Very high63 Ų6354.2 Ų54.239%0.38726%0.258SS..Hα-helixtrans-60.6-50.6-179.9-57.30000110.7V126 P127 A128 L132 V133 E134V126-T130 PolarHBondContact O-N 3.17Å; V126-T130 PolarHBondContact O-OG1 2.99Å; P127-T130 PolarHBondContact O-N 3.06Å; A128-T130 VanDerWaalsContact C-N 3.35Å; A128-T130 PolarHBondContact O-N 2.82Å; T130-L132 PolarHBondContact O-N 2.69Å; T130-V133 PolarHBondContact O-N 3.02Å; T130-E134 WeakPolarHBondContact O-CG 3.28Å; T130-E134 PolarHBondContact O-N 3.42Å
131R94.7Very high93.9Very high118 Ų11854.4 Ų54.445%0.44526%0.259SS..Hα-helixtrans-67.9-35.6-178.4-69.2-174-176.2-173.26.1113.2P127 A128 E134 S135 P263 I264P127-R131 PolarHBondContact O-N 3.29Å; P127-R131 VanDerWaalsContact O-N 3.1Å; A128-R131 PolarHBondContact O-N 3.29Å; R131-E134 PolarHBondContact O-N 3.33Å; R131-S135 WeakPolarHBondContact O-CB 3.46Å; R131-S135 PolarHBondContact O-N 3.43Å; R131-S135 PolarHBondContact O-OG 3.02Å; R131-P263 HydrophobicContact CB-CB 3.9Å; R131-P263 WeakPolarHBondContact CD-O 3.36Å; R131-P263 PolarHBondContact NH1-O 3.04Å; R131-I264 PolarHBondContact NH1-O 2.86Å
132L95.2Very high93.8Very high0 Ų056.3 Ų56.30%027%0.271CS..Hα-helixtrans-66.2-39.4173.3-76.3179.7000111.9I67 V109 V121 A123 A128 Q129 T130 S135 L136 I141 L260 P263I67-L132 HydrophobicContact CG2-CD1 4.14Å; V109-L132 HydrophobicContact CG1-CB 4.04Å; V109-L132 HydrophobicContact CG2-CB 4.25Å; V109-L132 HydrophobicContact CG2-CD1 4.31Å; V121-L132 HydrophobicContact CG2-CD1 3.84Å; A123-L132 HydrophobicContact CB-CD1 4.07Å; A128-L132 WeakPolarHBondContact O-CB 3.36Å; A128-L132 WeakPolarHBondContact O-CG 3.4Å; A128-L132 PolarHBondContact O-N 2.94Å; Q129-L132 PolarHBondContact O-N 2.63Å; T130-L132 PolarHBondContact O-N 2.69Å; L132-S135 PolarHBondContact O-N 3.36Å; L132-L136 WeakPolarHBondContact O-CG 3.29Å; L132-L136 PolarHBondContact O-N 3.47Å; L132-I141 HydrophobicContact CD2-CD1 3.95Å; L132-L260 HydrophobicContact CD2-CD1 4.48Å; L132-L260 HydrophobicContact CD2-CD2 4.02Å; L132-P263 HydrophobicContact CD2-CB 4.37Å; L132-P263 HydrophobicContact CD2-CG 4.32Å; L132-P263 HydrophobicContact CG-CB 4.14Å; L132-P263 HydrophobicContact CG-CG 4.14Å
133V93.5Very high93.6Very high42 Ų4257.3 Ų57.326%0.25527%0.274SS..Hα-helixtrans-63.3-43.3174.31690000111V109 Q129 T130 L136 Q137V109-V133 HydrophobicContact CB-CG2 4.3Å; V109-V133 HydrophobicContact CG1-CG2 3.86Å; Q129-V133 VanDerWaalsContact O-CG2 3.32Å; Q129-V133 WeakPolarHBondContact O-CG2 3.21Å; Q129-V133 PolarHBondContact O-N 2.9Å; T130-V133 PolarHBondContact O-N 3.02Å; V133-L136 PolarHBondContact O-N 3.34Å; V133-Q137 WeakPolarHBondContact O-CG 3.28Å; V133-Q137 PolarHBondContact O-N 3.21Å
134E92.6Very high93.6Very high82 Ų8257.5 Ų57.538%0.38328%0.275SS..Hα-helixtrans-60.6-46.2174.1-71.5177.1-178.200111.8T130 R131 L136 Q137 R138T130-E134 WeakPolarHBondContact O-CG 3.28Å; T130-E134 PolarHBondContact O-N 3.42Å; R131-E134 PolarHBondContact O-N 3.33Å; E134-L136 VanDerWaalsContact C-N 3.29Å; E134-L136 PolarHBondContact O-N 3.38Å; E134-Q137 WeakPolarHBondContact O-CB 3.36Å; E134-Q137 PolarHBondContact O-N 2.92Å; E134-R138 WeakPolarHBondContact O-CG 3.38Å; E134-R138 PolarHBondContact O-N 3.07Å
135S95.1Very high93.6Very high15 Ų1557 Ų5711%0.10527%0.272CS..Hα-helixtrans-60.2-38.8177.7-56.10000111.7R131 L132 R138 R139 E140R131-S135 WeakPolarHBondContact O-CB 3.46Å; R131-S135 PolarHBondContact O-N 3.43Å; R131-S135 PolarHBondContact O-OG 3.02Å; L132-S135 PolarHBondContact O-N 3.36Å; S135-R138 PolarHBondContact O-N 2.83Å; S135-R139 PolarHBondContact O-N 3Å; S135-E140 PolarHBondContact O-N 3.17Å
136L91.4Very high93.9Very high29 Ų2955.2 Ų55.215%0.15226%0.262CS..Hα-helixtrans-65.3-40173.4-77.3167.8000112.5V109 H110 L132 V133 E134 R138 R139 I141V109-L136 HydrophobicContact CB-CD1 3.78Å; V109-L136 HydrophobicContact CG2-CD1 3.85Å; V109-L136 WeakPolarHBondContact O-CD1 3.32Å; H110-L136 HydrophobicContact CB-CD1 4.4Å; L132-L136 WeakPolarHBondContact O-CG 3.29Å; L132-L136 PolarHBondContact O-N 3.47Å; V133-L136 PolarHBondContact O-N 3.34Å; E134-L136 VanDerWaalsContact C-N 3.29Å; E134-L136 PolarHBondContact O-N 3.38Å; L136-R138 VanDerWaalsContact C-N 3.33Å; L136-R139 PolarHBondContact O-N 2.95Å; L136-I141 HydrophobicContact CD2-CB 4.12Å; L136-I141 HydrophobicContact CD2-CD1 3.95Å; L136-I141 HydrophobicContact CD2-CG1 4.32Å; L136-I141 HydrophobicContact CG-CD1 3.78Å; L136-I141 HydrophobicContact CG-CG1 4.42Å
137Q90.3Very high94.4Very high146 Ų14651.8 Ų51.868%0.68224%0.241SC*.Hα-helixtrans-66.6-36.6177.2-70.8172.1-0.300111.8V133 E134 R139V133-Q137 WeakPolarHBondContact O-CG 3.28Å; V133-Q137 PolarHBondContact O-N 3.21Å; E134-Q137 WeakPolarHBondContact O-CB 3.36Å; E134-Q137 PolarHBondContact O-N 2.92Å; Q137-R139 VanDerWaalsContact C-N 3.3Å
138R93.9Very high94.8Very high161 Ų16148.2 Ų48.261%0.60822%0.218SC*.Hα-helixtrans-80.5-5.6175.6-66.4-178.3-173.6167.46.1114.3E134 S135 L136 E140E134-R138 WeakPolarHBondContact O-CG 3.38Å; E134-R138 PolarHBondContact O-N 3.07Å; S135-R138 PolarHBondContact O-N 2.83Å; L136-R138 VanDerWaalsContact C-N 3.33Å; R138-E140 VanDerWaalsContact C-N 3.27Å; R138-E140 HydrophobicContact CB-CG 3.86Å; R138-E140 WeakPolarHBondContact CD-OE1 3.46Å; R138-E140 PolarHBondContact O-N 2.92Å
139R93Very high94.9Very high159 Ų15948.2 Ų48.260%0.622%0.218SC*.THydrogen-bonded Turntrans63.332-178.7-49.1167.5-164.21799.4112.7S135 L136 Q137 E203S135-R139 PolarHBondContact O-N 3Å; L136-R139 PolarHBondContact O-N 2.95Å; Q137-R139 VanDerWaalsContact C-N 3.3Å; R139-E203 IonicContact CZ-OE2 2.73Å; R139-E203 IonicContact NE-OE2 2.9Å; R139-E203 IonicContact NH1-OE2 3.84Å; R139-E203 PolarHBondContact NH1-OE2 3.19Å
140E94.9Very high94.9Very high83 Ų8349.3 Ų49.339%0.38822%0.224SC..  trans-86.8-7.5179.1-68.6167174.500112.5S135 R138S135-E140 PolarHBondContact O-N 3.17Å; R138-E140 VanDerWaalsContact C-N 3.27Å; R138-E140 HydrophobicContact CB-CG 3.86Å; R138-E140 WeakPolarHBondContact CD-OE1 3.46Å; R138-E140 PolarHBondContact O-N 2.92Å
141I95.7Very high94.8Very high5 Ų547.3 Ų47.33%0.02622%0.216CC..SBendtrans-98.1117.1174.2-54-166.7000109.7L132 L136 R143 L260L132-I141 HydrophobicContact CD2-CD1 3.95Å; L136-I141 HydrophobicContact CD2-CB 4.12Å; L136-I141 HydrophobicContact CD2-CD1 3.95Å; L136-I141 HydrophobicContact CD2-CG1 4.32Å; L136-I141 HydrophobicContact CG-CD1 3.78Å; L136-I141 HydrophobicContact CG-CG1 4.42Å; I141-R143 HydrophobicContact CG2-CG 4.17Å; I141-L260 HydrophobicContact CB-CB 4.41Å; I141-L260 HydrophobicContact CD1-CB 4.3Å; I141-L260 HydrophobicContact CD1-CD2 4.07Å; I141-L260 HydrophobicContact CG1-CB 3.93Å; I141-L260 HydrophobicContact CG2-CB 4.21Å; I141-L260 HydrophobicContact CG2-CD2 4.28Å
142T95.8Very high94.2Very high40 Ų4046.2 Ų46.225%0.24522%0.216CC..EExtended strand (participates in β ladder)trans-83122.1171.4-58.80000109.6M257 L258 R259T142-M257 HydrophobicContact CG2-CE 3.95Å; T142-M257 HydrophobicContact CG2-SD 4.46Å; T142-L258 WeakPolarHBondContact O-CA 3.34Å; T142-R259 PolarHBondContact N-O 3.4Å; T142-R259 PolarHBondContact O-N 2.87Å
143R95.2Very high93.5Very high20 Ų2046.6 Ų46.68%0.07522%0.217CC..EExtended strand (participates in β ladder)trans-116.7108.4171.5-61.7161.9-66.4-167.4-1.3107.8I141 Y145 L202 E203 L258I141-R143 HydrophobicContact CG2-CG 4.17Å; R143-Y145 HydrophobicContact CB-CE2 3.77Å; R143-L202 PolarHBondContact NH2-O 3.16Å; R143-L202 PolarHBondContact O-N 3Å; R143-E203 PolarHBondContact NH2-O 3.22Å; R143-L258 HydrophobicContact CG-CD1 4.11Å
144E97.8Very high92.5Very high5 Ų550 Ų502%0.02324%0.239CC..EExtended strand (participates in β ladder)trans-105.9133.5-179.6-170.4165.793.500110R187 R199 L200 R201 T256 M257E144-R187 IonicContact OE1-NH2 3.92Å; E144-R187 PolarHBondContact OE1-NH2 3.02Å; E144-R187 IonicContact OE2-CZ 3.57Å; E144-R187 IonicContact OE2-NH1 3.66Å; E144-R187 PolarHBondContact OE2-NH1 3.27Å; E144-R187 IonicContact OE2-NH2 2.72Å; E144-R187 PolarHBondContact OE2-NH2 3.39Å; E144-R199 VanDerWaalsContact CD-CD 3.47Å; E144-R199 HydrophobicContact CG-CG 3.55Å; E144-R199 VanDerWaalsContact OE1-CD 3.22Å; E144-R199 WeakPolarHBondContact OE1-CD 3.44Å; E144-R199 IonicContact OE1-CZ 3.51Å; E144-R199 IonicContact OE1-NE 3.74Å; E144-R199 IonicContact OE1-NH1 3.36Å; E144-R199 PolarHBondContact OE1-NH1 3.36Å; E144-L200 CarbonylContact C-O 3.59Å; E144-L200 VanDerWaalsContact CA-O 3.3Å; E144-L200 WeakPolarHBondContact CA-O 3.04Å; E144-R201 HydrophobicContact CB-CG 4.37Å; E144-R201 HydrophobicContact CG-CG 4.28Å; E144-R201 IonicContact OE2-CZ 2.63Å; E144-R201 VanDerWaalsContact OE2-CZ 3.29Å; E144-R201 IonicContact OE2-NE 3.73Å; E144-R201 PolarHBondContact OE2-NE 2.76Å; E144-R201 IonicContact OE2-NH2 2.69Å; E144-R201 PolarHBondContact OE2-NH2 3.35Å; E144-T256 HydrophobicContact CG-CG2 4.33Å; E144-T256 PolarHBondContact O-N 2.89Å; E144-M257 HydrophobicContact CB-CB 4.17Å; E144-M257 HydrophobicContact CB-CE 3.82Å; E144-M257 HydrophobicContact CB-SD 4.46Å; E144-M257 PolarHBondContact N-O 2.96Å; E144-M257 PolarHBondContact O-N 3.44Å
145Y98.7Very high91.4Very high12 Ų1248.3 Ų48.35%0.04724%0.238CC..EExtended strand (participates in β ladder)trans-119.8144-177.3-63.2-101.3000109.7L112 R143 R199 L200 L202 I210 L253 H254 A255L112-Y145 HydrophobicContact CD2-CE1 3.7Å; R143-Y145 HydrophobicContact CB-CE2 3.77Å; Y145-R199 CarbonylContact O-C 3.52Å; Y145-R199 WeakPolarHBondContact O-CA 3.33Å; Y145-R199 WeakPolarHBondContact O-CG 3.45Å; Y145-L200 PolarHBondContact N-O 2.82Å; Y145-L200 PolarHBondContact O-N 2.91Å; Y145-L202 HydrophobicContact CD2-CD1 4.22Å; Y145-L202 HydrophobicContact CD2-CG 4.13Å; Y145-L202 HydrophobicContact CE2-CB 4.41Å; Y145-L202 HydrophobicContact CE2-CD1 3.39Å; Y145-L202 HydrophobicContact CE2-CG 3.67Å; Y145-I210 HydrophobicContact CD1-CD1 3.82Å; Y145-I210 HydrophobicContact CD2-CD1 3.67Å; Y145-I210 HydrophobicContact CE1-CD1 4.26Å; Y145-I210 HydrophobicContact CE2-CD1 4.14Å; Y145-I210 HydrophobicContact CG-CD1 3.51Å; Y145-L253 HydrophobicContact CD1-CD1 4.16Å; Y145-L253 HydrophobicContact CD1-CG 4.42Å; Y145-L253 HydrophobicContact CG-CD1 4.44Å; Y145-H254 CarbonylContact C-O 3.07Å; Y145-H254 WeakPolarHBondContact CA-O 3.46Å; Y145-A255 HydrophobicContact CD1-CB 3.88Å; Y145-A255 HydrophobicContact CE1-CB 3.64Å
146E98.6Very high90.7Very high1 Ų149.5 Ų49.51%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-104.4138.9166.4-165.1134.2147.600109R197 L198 R199 H254 T256 I275E146-R197 HydrophobicContact CG-CG 4.5Å; E146-R197 WeakPolarHBondContact OE1-CD 3.39Å; E146-R197 IonicContact OE1-CZ 3.42Å; E146-R197 IonicContact OE1-NE 2.91Å; E146-R197 IonicContact OE1-NH1 3.86Å; E146-R197 PolarHBondContact OE1-NH1 3.17Å; E146-L198 WeakPolarHBondContact CA-O 3.5Å; E146-R199 IonicContact OE2-CZ 3.95Å; E146-R199 IonicContact OE2-NE 2.68Å; E146-R199 PolarHBondContact OE2-NE 3.45Å; E146-R199 VanDerWaalsContact OE2-NE 3.13Å; E146-R199 IonicContact OE2-NH2 3.19Å; E146-R199 PolarHBondContact OE2-NH2 3.03Å; E146-H254 PolarHBondContact N-O 3.36Å; E146-H254 PolarHBondContact O-N 3.21Å; E146-T256 HydrophobicContact CB-CG2 4.19Å; E146-I275 HydrophobicContact CG-CD1 4.41Å; E146-I275 VanDerWaalsContact OE1-CD1 3.24Å; E146-I275 WeakPolarHBondContact OE1-CD1 3.45Å
147A98.7Very high90.4Very high0 Ų049.3 Ų49.30%026%0.258CS..EExtended strand (participates in β ladder)trans-146159.9-179.100000113R197 L198 L200 L221 A252 L253A147-R197 WeakPolarHBondContact O-CA 3.33Å; A147-L198 PolarHBondContact N-O 2.89Å; A147-L198 PolarHBondContact O-N 3.2Å; A147-L200 HydrophobicContact CB-CD1 3.59Å; A147-L221 HydrophobicContact CB-CD1 4.38Å; A147-L221 HydrophobicContact CB-CD2 3.88Å; A147-A252 CarbonylContact C-O 3.31Å; A147-A252 WeakPolarHBondContact CA-O 3.35Å; A147-A252 VanDerWaalsContact CB-O 3.32Å; A147-A252 WeakPolarHBondContact CB-O 3.4Å; A147-L253 HydrophobicContact CB-CD1 3.85Å
148V98.3Very high90.6Very high0 Ų046.1 Ų46.10%025%0.249CC..EExtended strand (participates in β ladder)trans-119.1116.6168.5-175.20000108.8H195 V222 A252 L282 I283 M286V148-H195 HydrophobicContact CG1-CB 4.37Å; V148-V222 HydrophobicContact CB-CG2 4.39Å; V148-V222 HydrophobicContact CG1-CB 4.49Å; V148-V222 HydrophobicContact CG1-CG2 3.85Å; V148-V222 PolarHBondContact O-N 3.44Å; V148-A252 HydrophobicContact CB-CB 3.83Å; V148-A252 HydrophobicContact CG2-CB 4.35Å; V148-A252 PolarHBondContact N-O 3.44Å; V148-L282 HydrophobicContact CB-CD2 4.23Å; V148-L282 HydrophobicContact CG1-CD2 4.41Å; V148-L282 HydrophobicContact CG2-CD2 4.25Å; V148-I283 HydrophobicContact CG2-CD1 4.34Å; V148-I283 HydrophobicContact CG2-CG1 3.87Å; V148-M286 HydrophobicContact CG1-CE 4.11Å; V148-M286 HydrophobicContact CG1-SD 3.64Å
149A97Very high90.7Very high0 Ų038.8 Ų38.80%022%0.222CC..EExtended strand (participates in β ladder)trans-100.3150-179.700000111.7M153 H195 T196 L198 H219 L221A149-M153 HydrophobicContact CB-SD 4.31Å; A149-H195 VanDerWaalsContact O-CA 3.3Å; A149-H195 WeakPolarHBondContact O-CA 3.47Å; A149-H195 WeakPolarHBondContact O-CB 3.37Å; A149-T196 PolarHBondContact N-O 2.82Å; A149-T196 PolarHBondContact O-N 3.24Å; A149-L198 HydrophobicContact CB-CD1 3.72Å; A149-L198 HydrophobicContact CB-CG 4.34Å; A149-H219 HydrophobicContact CB-CB 4.26Å; A149-L221 HydrophobicContact CB-CD2 4.27Å
150I94.4Very high90.9Very high55 Ų5536.2 Ų36.228%0.28222%0.22SC..EExtended strand (participates in β ladder)trans-76.7137.7172.6-64.3170.4000109.2H219 P220 V222I150-H219 WeakPolarHBondContact O-CA 3.35Å; I150-H219 PolarHBondContact O-ND1 2.88Å; I150-P220 HydrophobicContact CB-CG 4.43Å; I150-P220 WeakPolarHBondContact CB-O 3.38Å; I150-P220 HydrophobicContact CD1-CG 4.28Å; I150-P220 WeakPolarHBondContact CG1-O 3.44Å; I150-P220 PolarHBondContact N-O 3.44Å; I150-V222 HydrophobicContact CG1-CG2 3.71Å
151G86.3Confident91Very high20 Ų2035.7 Ų35.721%0.20622%0.218CC..SBendtrans96153.817900000113.3V194 H195 T196G151-V194 CarbonylContact C-O 3.57Å; G151-V194 VanDerWaalsContact CA-O 3.25Å; G151-V194 WeakPolarHBondContact CA-O 3.24Å; G151-V194 PolarHBondContact N-O 2.8Å; G151-H195 CarbonylContact O-C 3.6Å; G151-H195 WeakPolarHBondContact O-CA 3.44Å; G151-T196 PolarHBondContact O-N 2.97Å; G151-T196 PolarHBondContact O-OG1 2.91Å
152H82.7Confident91.1Very high96 Ų9636.8 Ų36.844%0.44423%0.225SC..  trans-79.7117.1171.2179.2-79.4000109.2H191H152-H191 AromaticContact CD2-ND1 3.96Å; H152-H191 AromaticContact CE1-ND1 3.94Å; H152-H191 AromaticContact NE2-ND1 3.37Å; H152-H191 PolarHBondContact NE2-ND1 3.26Å
153M80.7Confident91.2Very high7 Ų735.1 Ų35.13%0.03422%0.215CC..  trans-98.3143174.7-60.417668.400109.6A149 Y186 I188 H191 T196 L198 I217 H219A149-M153 HydrophobicContact CB-SD 4.31Å; M153-Y186 HydrophobicContact CE-CD2 3.76Å; M153-Y186 HydrophobicContact CE-CE2 3.35Å; M153-I188 HydrophobicContact CB-CD1 3.73Å; M153-I188 HydrophobicContact CB-CG1 4.39Å; M153-I188 WeakPolarHBondContact O-CD1 3.3Å; M153-H191 PolarHBondContact O-CE1 3.03Å; M153-H191 PolarHBondContact O-ND1 2.72Å; M153-T196 HydrophobicContact CB-CG2 4.08Å; M153-T196 HydrophobicContact CG-CG2 4.38Å; M153-T196 PolarHBondContact N-OG1 2.88Å; M153-T196 HydrophobicContact SD-CG2 4.32Å; M153-L198 HydrophobicContact CE-CD1 4.28Å; M153-L198 HydrophobicContact CE-CD2 4.24Å; M153-L198 HydrophobicContact SD-CD1 3.75Å; M153-L198 HydrophobicContact SD-CD2 3.76Å; M153-L198 HydrophobicContact SD-CG 4.19Å; M153-I217 HydrophobicContact CE-CD1 4.15Å; M153-H219 HydrophobicContact CG-CB 4.49Å; M153-H219 VanDerWaalsContact CG-CE1 3.47Å; M153-H219 WeakPolarHBondContact CG-CE1 3.49Å; M153-H219 HydrophobicContact SD-CB 4.06Å
154T71.2Confident91.3Very high115 Ų11536.2 Ų36.271%0.70623%0.225SC*.  trans-100.6-19.5-176.752.80000113.6
155A70.8Confident91.2Very high45 Ų4544.7 Ų44.737%0.37226%0.257SS..  trans-149.8156.8179.400000111.8I188A155-I188 VanDerWaalsContact C-CD1 3.46Å; A155-I188 WeakPolarHBondContact O-CD1 3.43Å
156G79Confident91.1Very high40 Ų4046.8 Ų46.841%0.41227%0.267SS..  trans-73176.816100000111.5Y186G156-Y186 CarbonylContact C-O 3.57Å; G156-Y186 VanDerWaalsContact CA-O 3.29Å; G156-Y186 WeakPolarHBondContact CA-O 3.19Å
157G85.4Confident90.8Very high26 Ų2652 Ų5227%0.26830%0.301SS..EExtended strand (participates in β ladder)trans176.5-163.1-179.900000114.4Y186G157-Y186 VanDerWaalsContact N-CE2 3.34Å; G157-Y186 PolarHBondContact N-O 3.29Å; G157-Y186 VanDerWaalsContact O-CD1 3.27Å; G157-Y186 WeakPolarHBondContact O-CD1 3.36Å; G157-Y186 WeakPolarHBondContact O-CE1 3.44Å; G157-Y186 PolarHBondContact O-N 2.91Å
158T94.8Very high90.6Very high79 Ų7957.4 Ų57.449%0.48533%0.334SS..EExtended strand (participates in β ladder)trans-130.2134.3179.1-580000109.4V183 T184 H185T158-V183 HydrophobicContact CG2-CG1 3.82Å; T158-T184 WeakPolarHBondContact CA-O 2.93Å; T158-H185 WeakPolarHBondContact CG2-ND1 3.22Å; T158-H185 PolarHBondContact OG1-ND1 2.97Å
159V94.9Very high90.3Very high7 Ų762.6 Ų62.64%0.04236%0.357CS..EExtended strand (participates in β ladder)trans-107.6109.4166.5-171.90000107.9E161 V183 T184 Y186 H213 M214 I217V159-E161 HydrophobicContact CG1-CB 4.03Å; V159-E161 HydrophobicContact CG1-CG 4.01Å; V159-V183 WeakPolarHBondContact O-CA 3.22Å; V159-T184 PolarHBondContact N-O 3.27Å; V159-T184 PolarHBondContact O-N 3.08Å; V159-Y186 HydrophobicContact CG2-CD1 4.33Å; V159-Y186 HydrophobicContact CG2-CE1 3.78Å; V159-H213 HydrophobicContact CB-CB 4.1Å; V159-H213 HydrophobicContact CG1-CB 3.91Å; V159-H213 HydrophobicContact CG2-CB 4.35Å; V159-H213 PolarHBondContact O-CE1 2.88Å; V159-M214 HydrophobicContact CG2-CE 4.16Å; V159-I217 HydrophobicContact CG1-CG2 4.45Å; V159-I217 HydrophobicContact CG2-CD1 4.24Å; V159-I217 HydrophobicContact CG2-CG2 3.69Å
160D97.9Very high90Very high104 Ų10473.7 Ų73.756%0.55640%0.399SS*.EExtended strand (participates in β ladder)trans-111.682.1174.2-175.43.4000108.9V183D160-V183 HydrophobicContact CB-CG2 4.27Å; D160-V183 WeakPolarHBondContact OD1-CG2 3.39Å
161E97.6Very high89.7Confident73 Ų7376 Ų7634%0.34142%0.416SS..  trans-137.2124.2-172.5-78.1-63.1164.500110.5V159 V175 A182 H213V159-E161 HydrophobicContact CG1-CB 4.03Å; V159-E161 HydrophobicContact CG1-CG 4.01Å; E161-V175 HydrophobicContact CB-CG1 3.78Å; E161-V175 HydrophobicContact CB-CG2 4.02Å; E161-V175 HydrophobicContact CG-CG1 4.19Å; E161-V175 WeakPolarHBondContact OE2-CG1 3.38Å; E161-A182 PolarHBondContact N-O 2.99Å; E161-A182 VanDerWaalsContact N-O 3.09Å; E161-H213 PolarHBondContact O-NE2 3.04Å
162P98.3Very high90.1Very high28 Ų2876.6 Ų76.618%0.18241%0.413CS..  trans-66.7144.6-177.5-14.726.7000112.7V175 H176 K180P162-V175 CarbonylContact O-C 3.47Å; P162-V175 WeakPolarHBondContact O-CA 2.81Å; P162-H176 WeakPolarHBondContact CB-O 3.28Å; P162-H176 PolarHBondContact O-N 3.09Å; P162-K180 CarbonylContact C-O 3.51Å; P162-K180 VanDerWaalsContact CA-O 3.27Å; P162-K180 WeakPolarHBondContact CA-O 3.47Å
163I98.1Very high90.8Very high5 Ų573.3 Ų73.33%0.02640%0.398CS..EExtended strand (participates in β ladder)trans-114.4133.4-176-62.9178000111.1M173 A174 G179 K180 A182 R206 Q209 V212I163-M173 HydrophobicContact CG2-CB 3.96Å; I163-M173 HydrophobicContact CG2-CE 3.81Å; I163-A174 WeakPolarHBondContact CA-O 3.34Å; I163-G179 WeakPolarHBondContact O-CA 3.4Å; I163-K180 PolarHBondContact N-O 3.21Å; I163-K180 PolarHBondContact O-N 3.07Å; I163-A182 HydrophobicContact CD1-CB 3.91Å; I163-A182 HydrophobicContact CG1-CB 3.99Å; I163-R206 HydrophobicContact CD1-CB 4.39Å; I163-Q209 HydrophobicContact CD1-CB 4.05Å; I163-Q209 HydrophobicContact CD1-CG 3.85Å; I163-V212 HydrophobicContact CD1-CB 4.2Å; I163-V212 HydrophobicContact CD1-CG1 4.21Å; I163-V212 HydrophobicContact CG1-CG1 4.28Å
164S96.9Very high91.5Very high43 Ų4374 Ų7430%0.30141%0.405SS..EExtended strand (participates in β ladder)trans-130.5173.8172.8-164.30000111.6M173 A174S164-M173 CarbonylContact O-C 3.59Å; S164-M173 WeakPolarHBondContact O-CA 3.49Å; S164-M173 WeakPolarHBondContact O-CE 3.48Å; S164-A174 PolarHBondContact N-O 3.35Å; S164-A174 PolarHBondContact O-N 2.84Å
165R95.5Very high92.8Very high183 Ų18370.2 Ų70.269%0.69138%0.382SS*.EExtended strand (participates in β ladder)trans-65.7141.7168.2-70.6-176.6-178.1-101.84.3109.1M173R165-M173 HydrophobicContact CG-CE 4.39Å; R165-M173 HydrophobicContact CG-SD 4Å
166H95.4Very high94Very high55 Ų5571.8 Ų71.826%0.25538%0.381SS..  trans-63.3138.5174.8-174.1-63.7000109.8T168 K169 H172 A174H166-T168 PolarHBondContact CE1-OG1 2.82Å; H166-T168 PolarHBondContact ND1-N 3.13Å; H166-T168 PolarHBondContact ND1-OG1 3.04Å; H166-T168 PolarHBondContact O-N 2.92Å; H166-K169 HydrophobicContact CB-CB 4.33Å; H166-K169 PolarHBondContact ND1-N 2.89Å; H166-H172 HydrophobicContact CB-CB 3.58Å; H166-H172 VanDerWaalsContact CB-O 3.28Å; H166-H172 WeakPolarHBondContact CB-O 3.4Å; H166-H172 PolarHBondContact N-O 3.25Å; H166-A174 HydrophobicContact CB-CB 4.26Å
167P92.7Very high94.8Very high110 Ų11075 Ų7571%0.71440%0.395SS*.SBendtrans-57.3-41.5-172.5-28.134.2000114.7
168T94.3Very high95.3Very high114 Ų11481.8 Ų81.870%0.69942%0.421SS*.SBendtrans-108.7-39.2-176.354.20000114.3H166 R170H166-T168 PolarHBondContact CE1-OG1 2.82Å; H166-T168 PolarHBondContact ND1-N 3.13Å; H166-T168 PolarHBondContact ND1-OG1 3.04Å; H166-T168 PolarHBondContact O-N 2.92Å; T168-R170 PolarHBondContact O-N 3.2Å
169K92.8Very high95.3Very high110 Ų11078.8 Ų78.848%0.47841%0.407SS..  trans-87.9100.7-177.1-60.9179.1-178177.20111.4H166 T171 H172H166-K169 HydrophobicContact CB-CB 4.33Å; H166-K169 PolarHBondContact ND1-N 2.89Å; K169-T171 PolarHBondContact O-N 2.89Å; K169-T171 VanDerWaalsContact O-N 3.14Å; K169-H172 HydrophobicContact CB-CB 3.88Å; K169-H172 WeakPolarHBondContact CB-ND1 3.42Å; K169-H172 PolarHBondContact O-N 3.08Å
170R89.9Confident95.4Very high232 Ų23285.1 Ų85.188%0.87543%0.433SS*.THydrogen-bonded Turntrans-61.7-23-173.8-69-175.1175.7-177.7-0.4115.5T168T168-R170 PolarHBondContact O-N 3.2Å
171T89.1Confident95.4Very high105 Ų10584 Ų8464%0.64443%0.432SS*.THydrogen-bonded Turntrans-88.3-9.1177.849.50000113.2K169K169-T171 PolarHBondContact O-N 2.89Å; K169-T171 VanDerWaalsContact O-N 3.14Å
172H94.4Very high95.4Very high31 Ų3180.6 Ų80.614%0.14442%0.416CS..  trans-102.1144-177.8-67.564.6000111.3H166 K169 V226 Y227H166-H172 HydrophobicContact CB-CB 3.58Å; H166-H172 VanDerWaalsContact CB-O 3.28Å; H166-H172 WeakPolarHBondContact CB-O 3.4Å; H166-H172 PolarHBondContact N-O 3.25Å; K169-H172 HydrophobicContact CB-CB 3.88Å; K169-H172 WeakPolarHBondContact CB-ND1 3.42Å; K169-H172 PolarHBondContact O-N 3.08Å; H172-V226 WeakPolarHBondContact CD2-CG1 3.2Å; H172-V226 VanDerWaalsContact NE2-CG1 3.25Å; H172-V226 WeakPolarHBondContact NE2-CG1 3.19Å; H172-V226 PolarHBondContact NE2-O 2.87Å; H172-Y227 HydrophobicContact CB-CE1 4.48Å; H172-Y227 AromaticContact CD2-CE1 3.99Å
173M96.4Very high95.3Very high28 Ų2880.1 Ų80.114%0.13841%0.413CS..EExtended strand (participates in β ladder)trans-99.5156.1159.9-54.5-62.5-65.700108.9I163 S164 R165 T207 H208 V212 Y227I163-M173 HydrophobicContact CG2-CB 3.96Å; I163-M173 HydrophobicContact CG2-CE 3.81Å; S164-M173 CarbonylContact O-C 3.59Å; S164-M173 WeakPolarHBondContact O-CA 3.49Å; S164-M173 WeakPolarHBondContact O-CE 3.48Å; R165-M173 HydrophobicContact CG-CE 4.39Å; R165-M173 HydrophobicContact CG-SD 4Å; M173-T207 HydrophobicContact CG-CG2 4.05Å; M173-T207 HydrophobicContact SD-CG2 4.24Å; M173-H208 HydrophobicContact CB-CB 4.43Å; M173-H208 HydrophobicContact CG-CB 4.15Å; M173-V212 HydrophobicContact CB-CG2 3.65Å; M173-Y227 WeakPolarHBondContact CA-OH 3.48Å; M173-Y227 VanDerWaalsContact CB-OH 3.32Å; M173-Y227 WeakPolarHBondContact CB-OH 3.45Å; M173-Y227 PolarHBondContact N-OH 3.24Å; M173-Y227 VanDerWaalsContact O-CE1 3.27Å; M173-Y227 WeakPolarHBondContact O-CE1 3.43Å; M173-Y227 PolarHBondContact O-OH 2.9Å
174A96.9Very high95.3Very high22 Ų2279.9 Ų79.918%0.18241%0.411CS..EExtended strand (participates in β ladder)trans-145151.8179.400000110.6I163 S164 H166 H176I163-A174 WeakPolarHBondContact CA-O 3.34Å; S164-A174 PolarHBondContact N-O 3.35Å; S164-A174 PolarHBondContact O-N 2.84Å; H166-A174 HydrophobicContact CB-CB 4.26Å; A174-H176 PolarHBondContact O-N 2.72Å
175V97.5Very high95.3Very high35 Ų3580.8 Ų80.821%0.21241%0.411CS..EExtended strand (participates in β ladder)trans-63.3129.5164.31710000108.3E161 P162 V212 H216E161-V175 HydrophobicContact CB-CG1 3.78Å; E161-V175 HydrophobicContact CB-CG2 4.02Å; E161-V175 HydrophobicContact CG-CG1 4.19Å; E161-V175 WeakPolarHBondContact OE2-CG1 3.38Å; P162-V175 CarbonylContact O-C 3.47Å; P162-V175 WeakPolarHBondContact O-CA 2.81Å; V175-V212 HydrophobicContact CG2-CG1 3.94Å; V175-H216 HydrophobicContact CG2-CB 3.81Å
176H96.7Very high95.3Very high78 Ų7873.9 Ų73.936%0.36139%0.385SS..  trans-154.4133.6-179-171.7-81.5000110.2P162 A174 M178 G179P162-H176 WeakPolarHBondContact CB-O 3.28Å; P162-H176 PolarHBondContact O-N 3.09Å; A174-H176 PolarHBondContact O-N 2.72Å; H176-M178 VanDerWaalsContact C-N 3.29Å; H176-M178 PolarHBondContact ND1-N 2.91Å; H176-M178 PolarHBondContact O-N 3.3Å; H176-M178 VanDerWaalsContact O-N 3.17Å; H176-G179 WeakPolarHBondContact O-CA 3.32Å; H176-G179 PolarHBondContact O-N 3.16Å
177P95.7Very high94.9Very high108 Ų10875.6 Ų75.670%0.70139%0.389SS*.THydrogen-bonded Turntrans-56.4-37.4-176.4-2835000114.6G179P177-G179 PolarHBondContact O-N 3.07Å
178M95.2Very high94.5Very high167 Ų16772.1 Ų72.182%0.82336%0.364SS*.THydrogen-bonded Turntrans-84.213.7175-57-65.6169.700113.9H176H176-M178 VanDerWaalsContact C-N 3.29Å; H176-M178 PolarHBondContact ND1-N 2.91Å; H176-M178 PolarHBondContact O-N 3.3Å; H176-M178 VanDerWaalsContact O-N 3.17Å
179G96.3Very high94.3Very high17 Ų1770.2 Ų70.218%0.17535%0.348CS..SBendtrans-75.9-179.6176.800000112.7I163 H176 P177I163-G179 WeakPolarHBondContact O-CA 3.4Å; H176-G179 WeakPolarHBondContact O-CA 3.32Å; H176-G179 PolarHBondContact O-N 3.16Å; P177-G179 PolarHBondContact O-N 3.07Å
180K96.5Very high94.1Very high139 Ų13966.7 Ų66.760%0.60433%0.334SS*.BIsolated β-bridgetrans-82.4133.4172.2-66.6-177.1178.4-1770109.2P162 I163 A182P162-K180 CarbonylContact C-O 3.51Å; P162-K180 VanDerWaalsContact CA-O 3.27Å; P162-K180 WeakPolarHBondContact CA-O 3.47Å; I163-K180 PolarHBondContact N-O 3.21Å; I163-K180 PolarHBondContact O-N 3.07Å; K180-A182 PolarHBondContact O-N 2.68Å
181P97.6Very high93.9Very high82 Ų8258.8 Ų58.853%0.53231%0.306SS..  trans-52136.6178.1-27.834.3000112R206P181-R206 PolarHBondContact O-NE 3.09Å; P181-R206 PolarHBondContact O-NH2 2.73Å
182A97.2Very high93.8Very high0 Ų053.8 Ų53.80%028%0.276CS..  trans-147.3130.1-178.300000111.2E161 I163 K180 T204 R206 Q209 H213E161-A182 PolarHBondContact N-O 2.99Å; E161-A182 VanDerWaalsContact N-O 3.09Å; I163-A182 HydrophobicContact CD1-CB 3.91Å; I163-A182 HydrophobicContact CG1-CB 3.99Å; K180-A182 PolarHBondContact O-N 2.68Å; A182-T204 WeakPolarHBondContact CA-OG1 3.48Å; A182-R206 HydrophobicContact CB-CG 3.76Å; A182-Q209 HydrophobicContact CB-CG 4.2Å; A182-H213 PolarHBondContact O-CE1 2.72Å; A182-H213 VanDerWaalsContact O-CE1 3.25Å
183V97.1Very high93.3Very high18 Ų1855.3 Ų55.311%0.10928%0.28CS..EExtended strand (participates in β ladder)trans-127.2126.5-178.8-173.60000110.4T158 V159 D160 E203 T204 Q209T158-V183 HydrophobicContact CG2-CG1 3.82Å; V159-V183 WeakPolarHBondContact O-CA 3.22Å; D160-V183 HydrophobicContact CB-CG2 4.27Å; D160-V183 WeakPolarHBondContact OD1-CG2 3.39Å; V183-E203 HydrophobicContact CB-CB 4.16Å; V183-E203 HydrophobicContact CB-CG 4.32Å; V183-E203 HydrophobicContact CG1-CG 4.28Å; V183-E203 PolarHBondContact O-N 2.89Å; V183-T204 PolarHBondContact N-OG1 3.09Å; V183-Q209 PolarHBondContact O-NE2 2.95Å
184T97.5Very high93Very high0 Ų056.5 Ų56.50%029%0.289CS..EExtended strand (participates in β ladder)trans-129122.6176.8-55.10000109.8T158 V159 L200 L202 Q209 I210 H213T158-T184 WeakPolarHBondContact CA-O 2.93Å; V159-T184 PolarHBondContact N-O 3.27Å; V159-T184 PolarHBondContact O-N 3.08Å; T184-L200 HydrophobicContact CG2-CB 4.39Å; T184-L200 HydrophobicContact CG2-CD2 3.83Å; T184-L202 HydrophobicContact CG2-CD2 4.03Å; T184-Q209 PolarHBondContact OG1-NE2 3.44Å; T184-I210 HydrophobicContact CG2-CG1 4.36Å; T184-H213 WeakPolarHBondContact CB-ND1 3.09Å; T184-H213 PolarHBondContact OG1-ND1 2.97Å
185H96.5Very high92.8Very high62 Ų6255.7 Ų55.729%0.28728%0.282SS..EExtended strand (participates in β ladder)trans-96.7142.2170.5-53.5-75.6000109.6T158 L200 R201 E203T158-H185 WeakPolarHBondContact CG2-ND1 3.22Å; T158-H185 PolarHBondContact OG1-ND1 2.97Å; H185-L200 CarbonylContact O-C 3.51Å; H185-L200 WeakPolarHBondContact O-CA 3.38Å; H185-L200 WeakPolarHBondContact O-CB 3.42Å; H185-R201 PolarHBondContact N-O 3.15Å; H185-R201 PolarHBondContact O-N 2.76Å; H185-E203 IonicContact CE1-OE1 3.28Å; H185-E203 IonicContact NE2-OE1 3.84Å; H185-E203 PolarHBondContact NE2-OE1 3.38Å; H185-E203 VanDerWaalsContact NE2-OE1 3.12Å
186Y95Very high92.5Very high39 Ų3954 Ų5415%0.15327%0.271CS..EExtended strand (participates in β ladder)trans-138.8141.6177.761.4-85.2000111M153 G156 G157 V159 R199 M214 I217M153-Y186 HydrophobicContact CE-CD2 3.76Å; M153-Y186 HydrophobicContact CE-CE2 3.35Å; G156-Y186 CarbonylContact C-O 3.57Å; G156-Y186 VanDerWaalsContact CA-O 3.29Å; G156-Y186 WeakPolarHBondContact CA-O 3.19Å; G157-Y186 VanDerWaalsContact N-CE2 3.34Å; G157-Y186 PolarHBondContact N-O 3.29Å; G157-Y186 VanDerWaalsContact O-CD1 3.27Å; G157-Y186 WeakPolarHBondContact O-CD1 3.36Å; G157-Y186 WeakPolarHBondContact O-CE1 3.44Å; G157-Y186 PolarHBondContact O-N 2.91Å; V159-Y186 HydrophobicContact CG2-CD1 4.33Å; V159-Y186 HydrophobicContact CG2-CE1 3.78Å; Y186-R199 CarbonylContact C-O 3.47Å; Y186-R199 WeakPolarHBondContact CA-O 3.34Å; Y186-M214 HydrophobicContact CD1-CE 3.85Å; Y186-M214 HydrophobicContact CE1-CE 4.28Å; Y186-M214 HydrophobicContact CG-CE 4.26Å; Y186-I217 HydrophobicContact CE1-CD1 4.05Å; Y186-I217 HydrophobicContact CE2-CD1 4.45Å
187R86.9Confident92.5Very high90 Ų9052.4 Ų52.434%0.3426%0.262SS..EExtended strand (participates in β ladder)trans-123.4144.517164.1178.2-175.9-97.311.5110E144 M189 L198 R199E144-R187 IonicContact OE1-NH2 3.92Å; E144-R187 PolarHBondContact OE1-NH2 3.02Å; E144-R187 IonicContact OE2-CZ 3.57Å; E144-R187 IonicContact OE2-NH1 3.66Å; E144-R187 PolarHBondContact OE2-NH1 3.27Å; E144-R187 IonicContact OE2-NH2 2.72Å; E144-R187 PolarHBondContact OE2-NH2 3.39Å; R187-M189 HydrophobicContact CG-SD 3.9Å; R187-L198 WeakPolarHBondContact O-CA 3.1Å; R187-R199 HydrophobicContact CG-CB 3.98Å; R187-R199 VanDerWaalsContact CZ-CD 3.45Å; R187-R199 PolarHBondContact N-O 2.95Å; R187-R199 PolarHBondContact O-N 3.4Å
188I85.3Confident92.5Very high38 Ų3847.3 Ų47.320%0.19523%0.229CC..EExtended strand (participates in β ladder)trans-77.1126.4174.2-60.4177.2000108.1M153 A155 T196 L198M153-I188 HydrophobicContact CB-CD1 3.73Å; M153-I188 HydrophobicContact CB-CG1 4.39Å; M153-I188 WeakPolarHBondContact O-CD1 3.3Å; A155-I188 VanDerWaalsContact C-CD1 3.46Å; A155-I188 WeakPolarHBondContact O-CD1 3.43Å; I188-T196 HydrophobicContact CB-CG2 4.32Å; I188-T196 HydrophobicContact CD1-CG2 4.32Å; I188-T196 HydrophobicContact CG1-CG2 3.99Å; I188-T196 HydrophobicContact CG2-CG2 3.64Å; I188-L198 HydrophobicContact CG1-CD2 3.94Å
189M90.4Very high92.7Very high73 Ų7342.1 Ų42.136%0.3620%0.2SC..EExtended strand (participates in β ladder)trans-98.1-35.4175.5-62-54.3-54.700111.6R187 R197 R199R187-M189 HydrophobicContact CG-SD 3.9Å; M189-R197 HydrophobicContact CB-CB 4.48Å; M189-R197 HydrophobicContact CB-CG 4.33Å; M189-R197 PolarHBondContact N-O 2.8Å; M189-R199 HydrophobicContact CG-CB 3.54Å; M189-R199 HydrophobicContact SD-CB 3.64Å
190E89.3Confident92.7Very high36 Ų3641.3 Ų41.317%0.16819%0.192CC..EExtended strand (participates in β ladder)trans-159.4137.2-174.4-164.1170.7172.600110.1F192 R197 R287E190-F192 HydrophobicContact CB-CZ 4.5Å; E190-F192 HydrophobicContact CG-CE1 3.93Å; E190-F192 HydrophobicContact CG-CZ 4.19Å; E190-R197 HydrophobicContact CB-CB 3.85Å; E190-R197 PolarHBondContact N-O 2.91Å; E190-R197 PolarHBondContact O-N 2.97Å; E190-R197 IonicContact OE2-CZ 2.91Å; E190-R197 IonicContact OE2-NE 3.54Å; E190-R197 PolarHBondContact OE2-NE 2.97Å; E190-R197 IonicContact OE2-NH2 3.6Å; E190-R197 PolarHBondContact OE2-NH2 3.34Å; E190-R287 IonicContact OE1-CZ 3.29Å; E190-R287 IonicContact OE1-NE 3.64Å; E190-R287 PolarHBondContact OE1-NE 3.39Å; E190-R287 IonicContact OE1-NH2 2.95Å; E190-R287 PolarHBondContact OE1-NH2 2.71Å; E190-R287 IonicContact OE2-CZ 2.91Å; E190-R287 IonicContact OE2-NE 2.72Å; E190-R287 IonicContact OE2-NH2 3.02Å; E190-R287 PolarHBondContact OE2-NH2 2.83Å
191H83.8Confident92.7Very high66 Ų6639.2 Ų39.231%0.30618%0.18SC..EExtended strand (participates in β ladder)trans-91.7139.6173.1-66.6-91.9000110H152 M153 F290H152-H191 AromaticContact CD2-ND1 3.96Å; H152-H191 AromaticContact CE1-ND1 3.94Å; H152-H191 AromaticContact NE2-ND1 3.37Å; H152-H191 PolarHBondContact NE2-ND1 3.26Å; M153-H191 PolarHBondContact O-CE1 3.03Å; M153-H191 PolarHBondContact O-ND1 2.72Å; H191-F290 HydrophobicContact CB-CZ 4.49Å
192F88.2Confident92.5Very high1 Ų136.1 Ų36.10%0.00416%0.159CC..  trans-120.8173.7162.5-51.2-58.6000109E190 V194 H195 R197 I283 M286 R287 F290E190-F192 HydrophobicContact CB-CZ 4.5Å; E190-F192 HydrophobicContact CG-CE1 3.93Å; E190-F192 HydrophobicContact CG-CZ 4.19Å; F192-V194 PolarHBondContact O-N 3.13Å; F192-H195 CarbonylContact C-O 3.58Å; F192-H195 WeakPolarHBondContact CA-O 3.48Å; F192-H195 HydrophobicContact CB-CB 4.11Å; F192-H195 WeakPolarHBondContact CB-O 3.19Å; F192-H195 HydrophobicContact CD2-CB 3.98Å; F192-H195 PolarHBondContact N-O 2.84Å; F192-H195 VanDerWaalsContact O-O 3.1Å; F192-R197 HydrophobicContact CE2-CB 4.01Å; F192-R197 HydrophobicContact CZ-CB 4.36Å; F192-I283 HydrophobicContact CZ-CG2 4.2Å; F192-M286 HydrophobicContact CB-CB 4.21Å; F192-M286 VanDerWaalsContact CD1-C 3.45Å; F192-M286 HydrophobicContact CD1-CB 3.72Å; F192-M286 WeakPolarHBondContact CD1-O 3.39Å; F192-M286 HydrophobicContact CD2-CB 3.66Å; F192-M286 HydrophobicContact CD2-CG 4.28Å; F192-M286 HydrophobicContact CD2-SD 3.74Å; F192-M286 HydrophobicContact CE1-CB 3.91Å; F192-M286 HydrophobicContact CE2-CB 3.83Å; F192-M286 HydrophobicContact CE2-SD 3.98Å; F192-M286 HydrophobicContact CG-CB 3.6Å; F192-M286 HydrophobicContact CG-SD 4.47Å; F192-M286 HydrophobicContact CZ-CB 3.96Å; F192-R287 HydrophobicContact CE1-CB 3.93Å; F192-F290 HydrophobicContact CD1-CB 4.26Å
193R83.6Confident92.2Very high62 Ų6239 Ų3923%0.23417%0.173CC..SBendtrans-57.3-46.6-172.8-171.1161.756.7144.9-6.8113.7P234 K235 D289 F290 H293R193-P234 VanDerWaalsContact NH2-CG 3.29Å; R193-K235 PolarHBondContact NH1-O 3.44Å; R193-K235 PolarHBondContact NH2-O 3.01Å; R193-D289 IonicContact CZ-OD1 3.37Å; R193-D289 IonicContact CZ-OD2 2.87Å; R193-D289 IonicContact NE-OD1 3.24Å; R193-D289 IonicContact NE-OD2 3.17Å; R193-D289 PolarHBondContact NE-OD2 2.84Å; R193-D289 VanDerWaalsContact NH2-CG 3.34Å; R193-D289 IonicContact NH2-OD1 2.87Å; R193-D289 PolarHBondContact NH2-OD1 2.93Å; R193-D289 IonicContact NH2-OD2 3.29Å; R193-D289 PolarHBondContact NH2-OD2 2.73Å; R193-F290 HydrophobicContact CB-CD2 4.33Å; R193-H293 PolarHBondContact NH1-CD2 3.02Å; R193-H293 PolarHBondContact NH1-NE2 3.3Å; R193-H293 PolarHBondContact NH2-CD2 3.37Å; R193-H293 VanDerWaalsContact NH2-CD2 3.35Å; R193-H293 PolarHBondContact NH2-NE2 3.34Å
194V89.3Confident92Very high53 Ų5339.3 Ų39.332%0.32117%0.174SC..SBendtrans-134.922.1178-60.40000112.6G151 F192 P234G151-V194 CarbonylContact C-O 3.57Å; G151-V194 VanDerWaalsContact CA-O 3.25Å; G151-V194 WeakPolarHBondContact CA-O 3.24Å; G151-V194 PolarHBondContact N-O 2.8Å; F192-V194 PolarHBondContact O-N 3.13Å; V194-P234 HydrophobicContact CG1-CB 4.16Å; V194-P234 HydrophobicContact CG2-CB 3.71Å; V194-P234 HydrophobicContact CG2-CG 3.84Å
195H94.1Very high91.7Very high6 Ų641.5 Ų41.53%0.02820%0.197CC..EExtended strand (participates in β ladder)trans-142.7162.3178.8-58.695.3000109.4V148 A149 G151 F192 F241 M286V148-H195 HydrophobicContact CG1-CB 4.37Å; A149-H195 VanDerWaalsContact O-CA 3.3Å; A149-H195 WeakPolarHBondContact O-CA 3.47Å; A149-H195 WeakPolarHBondContact O-CB 3.37Å; G151-H195 CarbonylContact O-C 3.6Å; G151-H195 WeakPolarHBondContact O-CA 3.44Å; F192-H195 CarbonylContact C-O 3.58Å; F192-H195 WeakPolarHBondContact CA-O 3.48Å; F192-H195 HydrophobicContact CB-CB 4.11Å; F192-H195 WeakPolarHBondContact CB-O 3.19Å; F192-H195 HydrophobicContact CD2-CB 3.98Å; F192-H195 PolarHBondContact N-O 2.84Å; F192-H195 VanDerWaalsContact O-O 3.1Å; H195-F241 AromaticContact CE1-CZ 3.76Å; H195-F241 AromaticContact ND1-CZ 3.92Å; H195-M286 HydrophobicContact CB-CE 4.15Å; H195-M286 HydrophobicContact CB-SD 3.72Å
196T89.7Confident91.5Very high0 Ų043 Ų430%020%0.2CC..EExtended strand (participates in β ladder)trans-137131178.2-52.60000110.3A149 G151 M153 I188 L198A149-T196 PolarHBondContact N-O 2.82Å; A149-T196 PolarHBondContact O-N 3.24Å; G151-T196 PolarHBondContact O-N 2.97Å; G151-T196 PolarHBondContact O-OG1 2.91Å; M153-T196 HydrophobicContact CB-CG2 4.08Å; M153-T196 HydrophobicContact CG-CG2 4.38Å; M153-T196 PolarHBondContact N-OG1 2.88Å; M153-T196 HydrophobicContact SD-CG2 4.32Å; I188-T196 HydrophobicContact CB-CG2 4.32Å; I188-T196 HydrophobicContact CD1-CG2 4.32Å; I188-T196 HydrophobicContact CG1-CG2 3.99Å; I188-T196 HydrophobicContact CG2-CG2 3.64Å; T196-L198 HydrophobicContact CG2-CD2 3.71Å; T196-L198 HydrophobicContact CG2-CG 4.4Å
197R98.2Very high91.5Very high44 Ų4443.5 Ų43.517%0.16621%0.208CC..EExtended strand (participates in β ladder)trans-83.5126.2169.2-168.4168.765139.9-11.9109.2E146 A147 M189 E190 F192E146-R197 HydrophobicContact CG-CG 4.5Å; E146-R197 WeakPolarHBondContact OE1-CD 3.39Å; E146-R197 IonicContact OE1-CZ 3.42Å; E146-R197 IonicContact OE1-NE 2.91Å; E146-R197 IonicContact OE1-NH1 3.86Å; E146-R197 PolarHBondContact OE1-NH1 3.17Å; A147-R197 WeakPolarHBondContact O-CA 3.33Å; M189-R197 HydrophobicContact CB-CB 4.48Å; M189-R197 HydrophobicContact CB-CG 4.33Å; M189-R197 PolarHBondContact N-O 2.8Å; E190-R197 HydrophobicContact CB-CB 3.85Å; E190-R197 PolarHBondContact N-O 2.91Å; E190-R197 PolarHBondContact O-N 2.97Å; E190-R197 IonicContact OE2-CZ 2.91Å; E190-R197 IonicContact OE2-NE 3.54Å; E190-R197 PolarHBondContact OE2-NE 2.97Å; E190-R197 IonicContact OE2-NH2 3.6Å; E190-R197 PolarHBondContact OE2-NH2 3.34Å; F192-R197 HydrophobicContact CE2-CB 4.01Å; F192-R197 HydrophobicContact CZ-CB 4.36Å
198L95.9Very high91.9Very high0 Ų040.8 Ų40.80%020%0.199CC..EExtended strand (participates in β ladder)trans-119.3153.1-175.1-60.5179.3000111.3E146 A147 A149 M153 R187 I188 T196 L200 M214E146-L198 WeakPolarHBondContact CA-O 3.5Å; A147-L198 PolarHBondContact N-O 2.89Å; A147-L198 PolarHBondContact O-N 3.2Å; A149-L198 HydrophobicContact CB-CD1 3.72Å; A149-L198 HydrophobicContact CB-CG 4.34Å; M153-L198 HydrophobicContact CE-CD1 4.28Å; M153-L198 HydrophobicContact CE-CD2 4.24Å; M153-L198 HydrophobicContact SD-CD1 3.75Å; M153-L198 HydrophobicContact SD-CD2 3.76Å; M153-L198 HydrophobicContact SD-CG 4.19Å; R187-L198 WeakPolarHBondContact O-CA 3.1Å; I188-L198 HydrophobicContact CG1-CD2 3.94Å; T196-L198 HydrophobicContact CG2-CD2 3.71Å; T196-L198 HydrophobicContact CG2-CG 4.4Å; L198-L200 HydrophobicContact CB-CD1 3.95Å; L198-L200 HydrophobicContact CB-CG 4.48Å; L198-M214 HydrophobicContact CD1-SD 3.77Å
199R97.4Very high92.5Very high58 Ų5839.3 Ų39.322%0.21919%0.191CC..EExtended strand (participates in β ladder)trans-124.5129.4164-163.1172-99.8-156.511.4110E144 Y145 E146 Y186 R187 M189E144-R199 VanDerWaalsContact CD-CD 3.47Å; E144-R199 HydrophobicContact CG-CG 3.55Å; E144-R199 VanDerWaalsContact OE1-CD 3.22Å; E144-R199 WeakPolarHBondContact OE1-CD 3.44Å; E144-R199 IonicContact OE1-CZ 3.51Å; E144-R199 IonicContact OE1-NE 3.74Å; E144-R199 IonicContact OE1-NH1 3.36Å; E144-R199 PolarHBondContact OE1-NH1 3.36Å; Y145-R199 CarbonylContact O-C 3.52Å; Y145-R199 WeakPolarHBondContact O-CA 3.33Å; Y145-R199 WeakPolarHBondContact O-CG 3.45Å; E146-R199 IonicContact OE2-CZ 3.95Å; E146-R199 IonicContact OE2-NE 2.68Å; E146-R199 PolarHBondContact OE2-NE 3.45Å; E146-R199 VanDerWaalsContact OE2-NE 3.13Å; E146-R199 IonicContact OE2-NH2 3.19Å; E146-R199 PolarHBondContact OE2-NH2 3.03Å; Y186-R199 CarbonylContact C-O 3.47Å; Y186-R199 WeakPolarHBondContact CA-O 3.34Å; R187-R199 HydrophobicContact CG-CB 3.98Å; R187-R199 VanDerWaalsContact CZ-CD 3.45Å; R187-R199 PolarHBondContact N-O 2.95Å; R187-R199 PolarHBondContact O-N 3.4Å; M189-R199 HydrophobicContact CG-CB 3.54Å; M189-R199 HydrophobicContact SD-CB 3.64Å
200L98Very high92.9Very high0 Ų036.2 Ų36.20%018%0.176CC..EExtended strand (participates in β ladder)trans-122.6147.5-168.8-51.993000111.7E144 Y145 A147 T184 H185 L198 I210 M214E144-L200 CarbonylContact C-O 3.59Å; E144-L200 VanDerWaalsContact CA-O 3.3Å; E144-L200 WeakPolarHBondContact CA-O 3.04Å; Y145-L200 PolarHBondContact N-O 2.82Å; Y145-L200 PolarHBondContact O-N 2.91Å; A147-L200 HydrophobicContact CB-CD1 3.59Å; T184-L200 HydrophobicContact CG2-CB 4.39Å; T184-L200 HydrophobicContact CG2-CD2 3.83Å; H185-L200 CarbonylContact O-C 3.51Å; H185-L200 WeakPolarHBondContact O-CA 3.38Å; H185-L200 WeakPolarHBondContact O-CB 3.42Å; L198-L200 HydrophobicContact CB-CD1 3.95Å; L198-L200 HydrophobicContact CB-CG 4.48Å; L200-I210 HydrophobicContact CB-CD1 4.45Å; L200-I210 HydrophobicContact CD2-CG1 4.45Å; L200-I210 HydrophobicContact CD2-CG2 3.7Å; L200-M214 HydrophobicContact CD2-CE 4.13Å; L200-M214 HydrophobicContact CD2-CG 4.22Å; L200-M214 HydrophobicContact CD2-SD 3.91Å
201R96.3Very high93.3Very high96 Ų9635 Ų3536%0.36217%0.17SC..EExtended strand (participates in β ladder)trans-126.4140.9172.3-69.6-175.6179.9-176.8-1.9110.6E144 H185E144-R201 HydrophobicContact CB-CG 4.37Å; E144-R201 HydrophobicContact CG-CG 4.28Å; E144-R201 IonicContact OE2-CZ 2.63Å; E144-R201 VanDerWaalsContact OE2-CZ 3.29Å; E144-R201 IonicContact OE2-NE 3.73Å; E144-R201 PolarHBondContact OE2-NE 2.76Å; E144-R201 IonicContact OE2-NH2 2.69Å; E144-R201 PolarHBondContact OE2-NH2 3.35Å; H185-R201 PolarHBondContact N-O 3.15Å; H185-R201 PolarHBondContact O-N 2.76Å
202L92.5Very high94Very high17 Ų1732.2 Ų32.29%0.08916%0.157CC..EExtended strand (participates in β ladder)trans-110.6119.5-175.6-70.3-171.5000112.1R143 Y145 T184 T204 Q209 I210R143-L202 PolarHBondContact NH2-O 3.16Å; R143-L202 PolarHBondContact O-N 3Å; Y145-L202 HydrophobicContact CD2-CD1 4.22Å; Y145-L202 HydrophobicContact CD2-CG 4.13Å; Y145-L202 HydrophobicContact CE2-CB 4.41Å; Y145-L202 HydrophobicContact CE2-CD1 3.39Å; Y145-L202 HydrophobicContact CE2-CG 3.67Å; T184-L202 HydrophobicContact CG2-CD2 4.03Å; L202-T204 WeakPolarHBondContact CB-O 3.5Å; L202-Q209 HydrophobicContact CD2-CG 4.43Å; L202-I210 HydrophobicContact CD1-CD1 4.19Å; L202-I210 HydrophobicContact CD1-CG1 4.39Å; L202-I210 HydrophobicContact CD2-CD1 4.13Å; L202-I210 HydrophobicContact CD2-CG1 3.76Å; L202-I210 HydrophobicContact CG-CD1 4.24Å; L202-I210 HydrophobicContact CG-CG1 4.38Å
203E90.9Very high94.5Very high61 Ų6132.1 Ų32.129%0.28516%0.157SC..SBendtrans-77.4-38.1162.5-60.9-162.5-171.400111R139 R143 V183 H185R139-E203 IonicContact CZ-OE2 2.73Å; R139-E203 IonicContact NE-OE2 2.9Å; R139-E203 IonicContact NH1-OE2 3.84Å; R139-E203 PolarHBondContact NH1-OE2 3.19Å; R143-E203 PolarHBondContact NH2-O 3.22Å; V183-E203 HydrophobicContact CB-CB 4.16Å; V183-E203 HydrophobicContact CB-CG 4.32Å; V183-E203 HydrophobicContact CG1-CG 4.28Å; V183-E203 PolarHBondContact O-N 2.89Å; H185-E203 IonicContact CE1-OE1 3.28Å; H185-E203 IonicContact NE2-OE1 3.84Å; H185-E203 PolarHBondContact NE2-OE1 3.38Å; H185-E203 VanDerWaalsContact NE2-OE1 3.12Å
204T92.4Very high95.2Very high23 Ų2329.2 Ų29.214%0.14115%0.146CC..  trans-115.4159.1-18059.30000111.8A182 V183 L202 Q209A182-T204 WeakPolarHBondContact CA-OG1 3.48Å; V183-T204 PolarHBondContact N-OG1 3.09Å; L202-T204 WeakPolarHBondContact CB-O 3.5Å; T204-Q209 VanDerWaalsContact C-OE1 3.22Å; T204-Q209 PolarHBondContact O-NE2 2.75Å; T204-Q209 PolarHBondContact O-OE1 3.41Å; T204-Q209 PolarHBondContact OG1-NE2 2.9Å; T204-Q209 PolarHBondContact OG1-OE1 2.84Å
205G91.1Very high95.5Very high47 Ų4728 Ų2849%0.48514%0.142SC..  trans-124.166.5177.500000113
206R94.3Very high95.6Very high93 Ų9332.1 Ų32.135%0.35116%0.16SC..  trans-79.9157.5175.7-52.1-51.4179-167.5-2.5111.4I163 P181 A182 H208 Q209I163-R206 HydrophobicContact CD1-CB 4.39Å; P181-R206 PolarHBondContact O-NE 3.09Å; P181-R206 PolarHBondContact O-NH2 2.73Å; A182-R206 HydrophobicContact CB-CG 3.76Å; R206-H208 PolarHBondContact O-N 2.99Å; R206-Q209 HydrophobicContact CB-CB 4.12Å; R206-Q209 VanDerWaalsContact O-CB 3.29Å; R206-Q209 WeakPolarHBondContact O-CB 3.39Å; R206-Q209 PolarHBondContact O-N 3.12Å; R206-Q209 VanDerWaalsContact O-N 3.11Å
207T93.8Very high95.8Very high50 Ų5034 Ų3431%0.30717%0.17SC..THydrogen-bonded Turntrans-56.3127.9175.8-52.80000110.3M173 Q209M173-T207 HydrophobicContact CG-CG2 4.05Å; M173-T207 HydrophobicContact SD-CG2 4.24Å; T207-Q209 PolarHBondContact O-N 2.73Å
208H96.5Very high95.5Very high33 Ų3337.3 Ų37.315%0.15320%0.196CC..THydrogen-bonded Turntrans56.622.1-178.2-57.5179.2000114.7D113 M173 R206 I210 R211 V212 Y227D113-H208 VanDerWaalsContact CG-CD2 3.49Å; D113-H208 IonicContact OD1-CD2 3.64Å; D113-H208 PolarHBondContact OD1-CD2 3.24Å; D113-H208 IonicContact OD2-CD2 3.38Å; D113-H208 PolarHBondContact OD2-CD2 2.99Å; D113-H208 IonicContact OD2-CG 3.19Å; D113-H208 IonicContact OD2-NE2 3.88Å; M173-H208 HydrophobicContact CB-CB 4.43Å; M173-H208 HydrophobicContact CG-CB 4.15Å; R206-H208 PolarHBondContact O-N 2.99Å; H208-I210 PolarHBondContact O-N 2.9Å; H208-R211 HydrophobicContact CB-CB 4.45Å; H208-R211 PolarHBondContact CD2-NH1 2.71Å; H208-R211 PolarHBondContact NE2-NH1 2.99Å; H208-R211 PolarHBondContact O-N 2.99Å; H208-R211 VanDerWaalsContact O-N 3.09Å; H208-V212 HydrophobicContact CB-CG2 3.89Å; H208-V212 WeakPolarHBondContact O-CG2 3.4Å; H208-V212 PolarHBondContact O-N 2.78Å; H208-Y227 HydrophobicContact CB-CE2 3.9Å; H208-Y227 AromaticContact CG-CE2 3.96Å; H208-Y227 AromaticContact ND1-CE2 3.44Å; H208-Y227 WeakPolarHBondContact ND1-CE2 3.14Å; H208-Y227 AromaticContact ND1-CZ 3.56Å; H208-Y227 PolarHBondContact ND1-OH 3.42Å
209Q97.8Very high95.5Very high6 Ų639 Ų393%0.02820%0.204CC..Hα-helixtrans-51.6-56.1-167.5179.5171.8-38.700114I163 A182 V183 T184 L202 T204 R206 T207 R211 V212 H213I163-Q209 HydrophobicContact CD1-CB 4.05Å; I163-Q209 HydrophobicContact CD1-CG 3.85Å; A182-Q209 HydrophobicContact CB-CG 4.2Å; V183-Q209 PolarHBondContact O-NE2 2.95Å; T184-Q209 PolarHBondContact OG1-NE2 3.44Å; L202-Q209 HydrophobicContact CD2-CG 4.43Å; T204-Q209 VanDerWaalsContact C-OE1 3.22Å; T204-Q209 PolarHBondContact O-NE2 2.75Å; T204-Q209 PolarHBondContact O-OE1 3.41Å; T204-Q209 PolarHBondContact OG1-NE2 2.9Å; T204-Q209 PolarHBondContact OG1-OE1 2.84Å; R206-Q209 HydrophobicContact CB-CB 4.12Å; R206-Q209 VanDerWaalsContact O-CB 3.29Å; R206-Q209 WeakPolarHBondContact O-CB 3.39Å; R206-Q209 PolarHBondContact O-N 3.12Å; R206-Q209 VanDerWaalsContact O-N 3.11Å; T207-Q209 PolarHBondContact O-N 2.73Å; Q209-R211 VanDerWaalsContact C-N 3.32Å; Q209-R211 PolarHBondContact O-N 2.88Å; Q209-V212 PolarHBondContact O-N 3.48Å; Q209-H213 WeakPolarHBondContact O-CB 3.47Å; Q209-H213 PolarHBondContact O-N 3.01Å
210I98.2Very high95.5Very high8 Ų837.3 Ų37.34%0.04120%0.2CC..Hα-helixtrans-57.8-48.1179.6-66.7177.1000110.4Y145 T184 L200 L202 H208 V212 H213 M214 L221 L253Y145-I210 HydrophobicContact CD1-CD1 3.82Å; Y145-I210 HydrophobicContact CD2-CD1 3.67Å; Y145-I210 HydrophobicContact CE1-CD1 4.26Å; Y145-I210 HydrophobicContact CE2-CD1 4.14Å; Y145-I210 HydrophobicContact CG-CD1 3.51Å; T184-I210 HydrophobicContact CG2-CG1 4.36Å; L200-I210 HydrophobicContact CB-CD1 4.45Å; L200-I210 HydrophobicContact CD2-CG1 4.45Å; L200-I210 HydrophobicContact CD2-CG2 3.7Å; L202-I210 HydrophobicContact CD1-CD1 4.19Å; L202-I210 HydrophobicContact CD1-CG1 4.39Å; L202-I210 HydrophobicContact CD2-CD1 4.13Å; L202-I210 HydrophobicContact CD2-CG1 3.76Å; L202-I210 HydrophobicContact CG-CD1 4.24Å; L202-I210 HydrophobicContact CG-CG1 4.38Å; H208-I210 PolarHBondContact O-N 2.9Å; I210-V212 PolarHBondContact O-N 2.84Å; I210-H213 PolarHBondContact O-N 3.33Å; I210-M214 HydrophobicContact CG2-CG 3.96Å; I210-M214 VanDerWaalsContact O-CB 3.27Å; I210-M214 WeakPolarHBondContact O-CB 3.29Å; I210-M214 WeakPolarHBondContact O-CG 3.24Å; I210-M214 PolarHBondContact O-N 2.81Å; I210-L221 HydrophobicContact CG2-CD1 4.13Å; I210-L253 HydrophobicContact CB-CD2 4.15Å; I210-L253 HydrophobicContact CD1-CD1 3.95Å; I210-L253 HydrophobicContact CD1-CD2 4.32Å; I210-L253 HydrophobicContact CG2-CD1 3.91Å; I210-L253 HydrophobicContact CG2-CD2 4.14Å
211R98.3Very high95.5Very high12 Ų1237.3 Ų37.35%0.04520%0.2CC..Hα-helixtrans-61.5-43.8-175.5-62.1162.863.4-168.11.5112D113 H208 Q209 A215 L221 D224 Y227 Q251 L253D113-R211 WeakPolarHBondContact OD2-CD 3.16Å; D113-R211 IonicContact OD2-CZ 3.59Å; D113-R211 IonicContact OD2-NE 2.83Å; D113-R211 IonicContact OD2-NH1 2.69Å; D113-R211 PolarHBondContact OD2-NH1 2.92Å; H208-R211 HydrophobicContact CB-CB 4.45Å; H208-R211 PolarHBondContact CD2-NH1 2.71Å; H208-R211 PolarHBondContact NE2-NH1 2.99Å; H208-R211 PolarHBondContact O-N 2.99Å; H208-R211 VanDerWaalsContact O-N 3.09Å; Q209-R211 VanDerWaalsContact C-N 3.32Å; Q209-R211 PolarHBondContact O-N 2.88Å; R211-A215 VanDerWaalsContact O-CB 3.26Å; R211-A215 WeakPolarHBondContact O-CB 3.21Å; R211-A215 PolarHBondContact O-N 3.09Å; R211-L221 HydrophobicContact CG-CD1 4.23Å; R211-D224 WeakPolarHBondContact CB-OD2 3.46Å; R211-D224 WeakPolarHBondContact CG-OD2 3.31Å; R211-D224 IonicContact CZ-OD1 3.12Å; R211-D224 IonicContact CZ-OD2 3.89Å; R211-D224 IonicContact NE-OD1 3.13Å; R211-D224 IonicContact NE-OD2 3.03Å; R211-D224 PolarHBondContact NE-OD2 2.93Å; R211-D224 IonicContact NH2-OD1 3.76Å; R211-D224 PolarHBondContact NH2-OD1 3.24Å; R211-D224 IonicContact NH2-OD2 2.7Å; R211-Y227 HydrophobicContact CB-CD2 3.72Å; R211-Y227 HydrophobicContact CB-CE2 3.93Å; R211-Q251 HydrophobicContact CG-CB 4.39Å; R211-Q251 HydrophobicContact CG-CG 4.21Å; R211-L253 HydrophobicContact CG-CD2 4.3Å
212V98.1Very high95.6Very high6 Ų632.9 Ų32.94%0.03618%0.183CC..Hα-helixtrans-68.1-46.7177.8173.70000111.3I163 M173 V175 H208 Q209 I210 A215 H216 Y227I163-V212 HydrophobicContact CD1-CB 4.2Å; I163-V212 HydrophobicContact CD1-CG1 4.21Å; I163-V212 HydrophobicContact CG1-CG1 4.28Å; M173-V212 HydrophobicContact CB-CG2 3.65Å; V175-V212 HydrophobicContact CG2-CG1 3.94Å; H208-V212 HydrophobicContact CB-CG2 3.89Å; H208-V212 WeakPolarHBondContact O-CG2 3.4Å; H208-V212 PolarHBondContact O-N 2.78Å; Q209-V212 PolarHBondContact O-N 3.48Å; I210-V212 PolarHBondContact O-N 2.84Å; V212-A215 PolarHBondContact O-N 2.76Å; V212-H216 VanDerWaalsContact O-CB 3.25Å; V212-H216 WeakPolarHBondContact O-CB 3.39Å; V212-H216 PolarHBondContact O-N 2.72Å; V212-Y227 HydrophobicContact CG2-CE1 3.79Å; V212-Y227 HydrophobicContact CG2-CE2 4.14Å; V212-Y227 VanDerWaalsContact CG2-OH 3.27Å; V212-Y227 WeakPolarHBondContact CG2-OH 3.43Å
213H98.4Very high95.8Very high0 Ų033.1 Ų33.10%019%0.19CC..Hα-helixtrans-63.4-45.1179.8-79.3-176.9000111.9V159 E161 A182 T184 Q209 I210 H216 I217V159-H213 HydrophobicContact CB-CB 4.1Å; V159-H213 HydrophobicContact CG1-CB 3.91Å; V159-H213 HydrophobicContact CG2-CB 4.35Å; V159-H213 PolarHBondContact O-CE1 2.88Å; E161-H213 PolarHBondContact O-NE2 3.04Å; A182-H213 PolarHBondContact O-CE1 2.72Å; A182-H213 VanDerWaalsContact O-CE1 3.25Å; T184-H213 WeakPolarHBondContact CB-ND1 3.09Å; T184-H213 PolarHBondContact OG1-ND1 2.97Å; Q209-H213 WeakPolarHBondContact O-CB 3.47Å; Q209-H213 PolarHBondContact O-N 3.01Å; I210-H213 PolarHBondContact O-N 3.33Å; H213-H216 WeakPolarHBondContact O-CB 3.32Å; H213-H216 PolarHBondContact O-N 3.05Å; H213-I217 PolarHBondContact O-N 3.31Å; H213-I217 VanDerWaalsContact O-N 3.09Å
214M97.6Very high96.1Very high0 Ų030.4 Ų30.40%018%0.177CC..Hα-helixtrans-63.5-42.3177.2-67.7-59.696.600111.5V159 Y186 L198 L200 I210 H216 I217 H219 L221V159-M214 HydrophobicContact CG2-CE 4.16Å; Y186-M214 HydrophobicContact CD1-CE 3.85Å; Y186-M214 HydrophobicContact CE1-CE 4.28Å; Y186-M214 HydrophobicContact CG-CE 4.26Å; L198-M214 HydrophobicContact CD1-SD 3.77Å; L200-M214 HydrophobicContact CD2-CE 4.13Å; L200-M214 HydrophobicContact CD2-CG 4.22Å; L200-M214 HydrophobicContact CD2-SD 3.91Å; I210-M214 HydrophobicContact CG2-CG 3.96Å; I210-M214 VanDerWaalsContact O-CB 3.27Å; I210-M214 WeakPolarHBondContact O-CB 3.29Å; I210-M214 WeakPolarHBondContact O-CG 3.24Å; I210-M214 PolarHBondContact O-N 2.81Å; M214-H216 VanDerWaalsContact C-N 3.34Å; M214-H216 PolarHBondContact O-N 3.03Å; M214-I217 HydrophobicContact CE-CD1 3.68Å; M214-I217 HydrophobicContact CE-CG1 4.34Å; M214-I217 WeakPolarHBondContact O-CG1 3.43Å; M214-I217 PolarHBondContact O-N 3.17Å; M214-I217 HydrophobicContact SD-CD1 4.2Å; M214-H219 CarbonylContact C-O 3.56Å; M214-H219 WeakPolarHBondContact CB-O 3.49Å; M214-H219 CarbonylContact O-C 3.48Å; M214-H219 WeakPolarHBondContact O-CA 3.46Å; M214-H219 PolarHBondContact O-N 3.4Å; M214-L221 HydrophobicContact CB-CD2 4.14Å; M214-L221 HydrophobicContact CB-CG 4.41Å; M214-L221 HydrophobicContact CG-CD2 4Å
215A96.7Very high96.2Very high29 Ų2933.7 Ų33.724%0.2420%0.199CC..Hα-helixtrans-65.6-34.7173.100000113.3R211 V212 T218 P220 Y227R211-A215 VanDerWaalsContact O-CB 3.26Å; R211-A215 WeakPolarHBondContact O-CB 3.21Å; R211-A215 PolarHBondContact O-N 3.09Å; V212-A215 PolarHBondContact O-N 2.76Å; A215-T218 PolarHBondContact O-N 3.29Å; A215-P220 HydrophobicContact CB-CB 4.04Å; A215-Y227 HydrophobicContact CB-CG 4.48Å
216H96.3Very high96.4Very high91 Ų9133.3 Ų33.342%0.42119%0.187SC..Hα-helixtrans-64.7-41.4178.6175.965.8000112.1V175 V212 H213 M214 T218V175-H216 HydrophobicContact CG2-CB 3.81Å; V212-H216 VanDerWaalsContact O-CB 3.25Å; V212-H216 WeakPolarHBondContact O-CB 3.39Å; V212-H216 PolarHBondContact O-N 2.72Å; H213-H216 WeakPolarHBondContact O-CB 3.32Å; H213-H216 PolarHBondContact O-N 3.05Å; M214-H216 VanDerWaalsContact C-N 3.34Å; M214-H216 PolarHBondContact O-N 3.03Å; H216-T218 PolarHBondContact O-N 2.92Å
217I92.4Very high96.5Very high40 Ų4030.6 Ų30.621%0.20518%0.177CC..THydrogen-bonded Turntrans-82.523.2174.667.4168.5000113.1M153 V159 Y186 H213 M214 H219M153-I217 HydrophobicContact CE-CD1 4.15Å; V159-I217 HydrophobicContact CG1-CG2 4.45Å; V159-I217 HydrophobicContact CG2-CD1 4.24Å; V159-I217 HydrophobicContact CG2-CG2 3.69Å; Y186-I217 HydrophobicContact CE1-CD1 4.05Å; Y186-I217 HydrophobicContact CE2-CD1 4.45Å; H213-I217 PolarHBondContact O-N 3.31Å; H213-I217 VanDerWaalsContact O-N 3.09Å; M214-I217 HydrophobicContact CE-CD1 3.68Å; M214-I217 HydrophobicContact CE-CG1 4.34Å; M214-I217 WeakPolarHBondContact O-CG1 3.43Å; M214-I217 PolarHBondContact O-N 3.17Å; M214-I217 HydrophobicContact SD-CD1 4.2Å; I217-H219 HydrophobicContact CG1-CB 4.37Å; I217-H219 PolarHBondContact O-CD2 3.28Å; I217-H219 PolarHBondContact O-N 3.11Å; I217-H219 VanDerWaalsContact O-N 3.15Å
218T93.5Very high96.2Very high114 Ų11429.4 Ų29.470%0.69917%0.174SC*.THydrogen-bonded Turntrans61.116.5178.669.70000116.6A215 H216 P220A215-T218 PolarHBondContact O-N 3.29Å; H216-T218 PolarHBondContact O-N 2.92Å; T218-P220 VanDerWaalsContact O-CD 3.29Å; T218-P220 WeakPolarHBondContact O-CD 3.36Å
219H94.4Very high95.5Very high36 Ų3630.7 Ų30.717%0.16720%0.197CC..  trans-119.558.9177-68.5-69.5000112.3A149 I150 M153 M214 I217A149-H219 HydrophobicContact CB-CB 4.26Å; I150-H219 WeakPolarHBondContact O-CA 3.35Å; I150-H219 PolarHBondContact O-ND1 2.88Å; M153-H219 HydrophobicContact CG-CB 4.49Å; M153-H219 VanDerWaalsContact CG-CE1 3.47Å; M153-H219 WeakPolarHBondContact CG-CE1 3.49Å; M153-H219 HydrophobicContact SD-CB 4.06Å; M214-H219 CarbonylContact C-O 3.56Å; M214-H219 WeakPolarHBondContact CB-O 3.49Å; M214-H219 CarbonylContact O-C 3.48Å; M214-H219 WeakPolarHBondContact O-CA 3.46Å; M214-H219 PolarHBondContact O-N 3.4Å; I217-H219 HydrophobicContact CG1-CB 4.37Å; I217-H219 PolarHBondContact O-CD2 3.28Å; I217-H219 PolarHBondContact O-N 3.11Å; I217-H219 VanDerWaalsContact O-N 3.15Å
220P97.4Very high94.7Very high22 Ų2241.3 Ų41.314%0.14324%0.236CC..PPolyproline II helixtrans-58.9152.7-179.627.3-34.6000111.5I150 A215 T218I150-P220 HydrophobicContact CB-CG 4.43Å; I150-P220 WeakPolarHBondContact CB-O 3.38Å; I150-P220 HydrophobicContact CD1-CG 4.28Å; I150-P220 WeakPolarHBondContact CG1-O 3.44Å; I150-P220 PolarHBondContact N-O 3.44Å; A215-P220 HydrophobicContact CB-CB 4.04Å; T218-P220 VanDerWaalsContact O-CD 3.29Å; T218-P220 WeakPolarHBondContact O-CD 3.36Å
221L98.3Very high93.9Very high0 Ų044.2 Ų44.20%026%0.256CS..BIsolated β-bridgetrans-69.3142179.8-58.7-171.5000111.4A147 A149 I210 R211 M214 G223 D224 Q251 L253A147-L221 HydrophobicContact CB-CD1 4.38Å; A147-L221 HydrophobicContact CB-CD2 3.88Å; A149-L221 HydrophobicContact CB-CD2 4.27Å; I210-L221 HydrophobicContact CG2-CD1 4.13Å; R211-L221 HydrophobicContact CG-CD1 4.23Å; M214-L221 HydrophobicContact CB-CD2 4.14Å; M214-L221 HydrophobicContact CB-CG 4.41Å; M214-L221 HydrophobicContact CG-CD2 4Å; L221-G223 PolarHBondContact O-N 3.35Å; L221-D224 HydrophobicContact CB-CB 4.45Å; L221-D224 WeakPolarHBondContact O-CB 3.49Å; L221-D224 PolarHBondContact O-N 3.19Å; L221-Q251 HydrophobicContact CB-CB 4.23Å; L221-Q251 HydrophobicContact CD1-CB 4.18Å; L221-L253 HydrophobicContact CD1-CB 3.81Å; L221-L253 HydrophobicContact CD1-CD1 4.1Å; L221-L253 HydrophobicContact CD1-CD2 4.07Å; L221-L253 HydrophobicContact CD1-CG 4.21Å
222V97.7Very high93.2Very high2 Ų254 Ų541%0.01229%0.293CS..THydrogen-bonded Turntrans-57.3135.5174.4174.90000109.5V148 I150 D224 L245 F248 R250 Q251 A252 L282 M286V148-V222 HydrophobicContact CB-CG2 4.39Å; V148-V222 HydrophobicContact CG1-CB 4.49Å; V148-V222 HydrophobicContact CG1-CG2 3.85Å; V148-V222 PolarHBondContact O-N 3.44Å; I150-V222 HydrophobicContact CG1-CG2 3.71Å; V222-D224 PolarHBondContact O-N 3.11Å; V222-L245 HydrophobicContact CG1-CD1 3.48Å; V222-L245 VanDerWaalsContact CG1-CD1 3.48Å; V222-F248 HydrophobicContact CG1-CD1 4.29Å; V222-R250 VanDerWaalsContact O-O 3.09Å; V222-Q251 CarbonylContact O-C 3.55Å; V222-Q251 WeakPolarHBondContact O-CA 3.36Å; V222-A252 HydrophobicContact CB-CB 4.06Å; V222-A252 PolarHBondContact O-N 2.94Å; V222-L282 HydrophobicContact CB-CD2 4.34Å; V222-L282 HydrophobicContact CG1-CD1 4.32Å; V222-L282 HydrophobicContact CG1-CD2 3.93Å; V222-M286 HydrophobicContact CG2-CE 4.22Å
223G96.9Very high92.7Very high22 Ų2256.5 Ų56.523%0.22731%0.309CS..THydrogen-bonded Turntrans71.52.5178.400000116L221 P225 F248 D249 R250L221-G223 PolarHBondContact O-N 3.35Å; G223-P225 WeakPolarHBondContact O-CD 3.3Å; G223-P225 VanDerWaalsContact O-N 3.14Å; G223-F248 WeakPolarHBondContact CA-O 3.44Å; G223-D249 CarbonylContact O-C 3.59Å; G223-R250 CarbonylContact C-O 3.47Å; G223-R250 WeakPolarHBondContact CA-O 3.48Å; G223-R250 CarbonylContact O-C 3.53Å; G223-R250 WeakPolarHBondContact O-CA 3.28Å; G223-R250 PolarHBondContact O-N 3.38Å; G223-R250 VanDerWaalsContact O-O 3.13Å
224D97.6Very high92Very high5 Ų557.2 Ų57.23%0.02731%0.314CS..  trans-64.2114.1177.7-168.5-44.1000111.2R211 L221 V222 V226 Y227 G228 Q251R211-D224 WeakPolarHBondContact CB-OD2 3.46Å; R211-D224 WeakPolarHBondContact CG-OD2 3.31Å; R211-D224 IonicContact CZ-OD1 3.12Å; R211-D224 IonicContact CZ-OD2 3.89Å; R211-D224 IonicContact NE-OD1 3.13Å; R211-D224 IonicContact NE-OD2 3.03Å; R211-D224 PolarHBondContact NE-OD2 2.93Å; R211-D224 IonicContact NH2-OD1 3.76Å; R211-D224 PolarHBondContact NH2-OD1 3.24Å; R211-D224 IonicContact NH2-OD2 2.7Å; L221-D224 HydrophobicContact CB-CB 4.45Å; L221-D224 WeakPolarHBondContact O-CB 3.49Å; L221-D224 PolarHBondContact O-N 3.19Å; V222-D224 PolarHBondContact O-N 3.11Å; D224-V226 PolarHBondContact O-N 2.74Å; D224-V226 PolarHBondContact OD1-N 2.82Å; D224-Y227 PolarHBondContact OD1-N 2.94Å; D224-Y227 WeakPolarHBondContact OD2-CD2 3.47Å; D224-G228 VanDerWaalsContact O-CA 3.24Å; D224-G228 WeakPolarHBondContact O-CA 3.5Å; D224-G228 PolarHBondContact O-N 3.23Å; D224-Q251 HydrophobicContact CB-CB 3.96Å
225P95.5Very high91.2Very high91 Ų9166.7 Ų66.759%0.59136%0.355SS*.THydrogen-bonded Turntrans-75.9-10.5-173.230.2-34.6000113.5G223G223-P225 WeakPolarHBondContact O-CD 3.3Å; G223-P225 VanDerWaalsContact O-N 3.14Å
226V95.8Very high90.7Very high39 Ų3968.1 Ų68.124%0.23637%0.373CS..THydrogen-bonded Turntrans-105.5-45.8-174.4178.50000110.9H172 D224H172-V226 WeakPolarHBondContact CD2-CG1 3.2Å; H172-V226 VanDerWaalsContact NE2-CG1 3.25Å; H172-V226 WeakPolarHBondContact NE2-CG1 3.19Å; H172-V226 PolarHBondContact NE2-O 2.87Å; D224-V226 PolarHBondContact O-N 2.74Å; D224-V226 PolarHBondContact OD1-N 2.82Å
227Y96.1Very high90.3Very high37 Ų3764.5 Ų64.515%0.14536%0.358CS..THydrogen-bonded Turntrans-109.2-17.5-172.8-56-73.3000113.7H172 M173 H208 R211 V212 A215 D224H172-Y227 HydrophobicContact CB-CE1 4.48Å; H172-Y227 AromaticContact CD2-CE1 3.99Å; M173-Y227 WeakPolarHBondContact CA-OH 3.48Å; M173-Y227 VanDerWaalsContact CB-OH 3.32Å; M173-Y227 WeakPolarHBondContact CB-OH 3.45Å; M173-Y227 PolarHBondContact N-OH 3.24Å; M173-Y227 VanDerWaalsContact O-CE1 3.27Å; M173-Y227 WeakPolarHBondContact O-CE1 3.43Å; M173-Y227 PolarHBondContact O-OH 2.9Å; H208-Y227 HydrophobicContact CB-CE2 3.9Å; H208-Y227 AromaticContact CG-CE2 3.96Å; H208-Y227 AromaticContact ND1-CE2 3.44Å; H208-Y227 WeakPolarHBondContact ND1-CE2 3.14Å; H208-Y227 AromaticContact ND1-CZ 3.56Å; H208-Y227 PolarHBondContact ND1-OH 3.42Å; R211-Y227 HydrophobicContact CB-CD2 3.72Å; R211-Y227 HydrophobicContact CB-CE2 3.93Å; V212-Y227 HydrophobicContact CG2-CE1 3.79Å; V212-Y227 HydrophobicContact CG2-CE2 4.14Å; V212-Y227 VanDerWaalsContact CG2-OH 3.27Å; V212-Y227 WeakPolarHBondContact CG2-OH 3.43Å; A215-Y227 HydrophobicContact CB-CG 4.48Å; D224-Y227 PolarHBondContact OD1-N 2.94Å; D224-Y227 WeakPolarHBondContact OD2-CD2 3.47Å
228G86.8Confident90.3Very high24 Ų2464.6 Ų64.625%0.24736%0.363CS..  trans-79.4153.2175.700000112.4D224D224-G228 VanDerWaalsContact O-CA 3.24Å; D224-G228 WeakPolarHBondContact O-CA 3.5Å; D224-G228 PolarHBondContact O-N 3.23Å
229G81Confident90.4Very high60 Ų6067.4 Ų67.462%0.61937%0.368SS*.  trans-86.5-176.5166.900000111.9
230R82.7Confident90.4Very high229 Ų22968.5 Ų68.586%0.86438%0.383SS*.SBendtrans-58.3139.8167.6-73.9-177.3-178171.20.9109.8R232R230-R232 PolarHBondContact O-N 3.24Å
231P80.1Confident90.4Very high69 Ų6967.5 Ų67.545%0.44838%0.377SS..  trans-55.7130.4175.8-22.330.9000111.3P233 L245P231-P233 WeakPolarHBondContact O-CD 3.24Å; P231-L245 HydrophobicContact CB-CD2 3.94Å; P231-L245 HydrophobicContact CB-CG 3.93Å
232R84.6Confident90.2Very high218 Ų21870 Ų7082%0.82339%0.389SS*.  trans-115.590.2175.4-68-175.6-175.3-176.30.8108.3R230R230-R232 PolarHBondContact O-N 3.24Å
233P86.4Confident90.2Very high58 Ų5872.2 Ų72.238%0.37741%0.405SS..PPolyproline II helixtrans-62.2146.2175.825.8-32.1000110P231 A237 F241 I242 L245P231-P233 WeakPolarHBondContact O-CD 3.24Å; P233-A237 HydrophobicContact CB-CB 4.24Å; P233-F241 HydrophobicContact CB-CD1 4.39Å; P233-F241 HydrophobicContact CB-CE1 4.33Å; P233-I242 HydrophobicContact CB-CG1 3.95Å; P233-I242 HydrophobicContact CG-CG1 4.26Å; P233-L245 HydrophobicContact CB-CD2 4.34Å
234P83.3Confident90.2Very high15 Ų1572.7 Ų72.710%0.09740%0.403CS..PPolyproline II helixtrans-65.8157.9176.225-28.6000111.6R193 V194 G236 A237 F241R193-P234 VanDerWaalsContact NH2-CG 3.29Å; V194-P234 HydrophobicContact CG1-CB 4.16Å; V194-P234 HydrophobicContact CG2-CB 3.71Å; V194-P234 HydrophobicContact CG2-CG 3.84Å; P234-G236 PolarHBondContact O-N 2.91Å; P234-A237 HydrophobicContact CG-CB 4.04Å; P234-A237 VanDerWaalsContact O-CB 3.27Å; P234-A237 WeakPolarHBondContact O-CB 3.35Å; P234-A237 PolarHBondContact O-N 2.91Å; P234-A237 VanDerWaalsContact O-N 3.15Å; P234-F241 HydrophobicContact CG-CE1 4.08Å; P234-F241 HydrophobicContact CG-CZ 3.96Å
235K81.4Confident90.1Very high199 Ų19972.8 Ų72.887%0.86540%0.404SS*.THydrogen-bonded Turntrans-63.9128.7179.6-174.3-175.8176.2-169.90109.6R193 A237R193-K235 PolarHBondContact NH1-O 3.44Å; R193-K235 PolarHBondContact NH2-O 3.01Å; K235-A237 VanDerWaalsContact C-N 3.3Å
236G85.6Confident90Very high60 Ų6077.6 Ų77.662%0.61941%0.41SS*.THydrogen-bonded Turntrans78.710.4-178.100000114.5P234P234-G236 PolarHBondContact O-N 2.91Å
237A88.9Confident90Very high14 Ų1483.2 Ų83.212%0.11643%0.432CS..  trans-56140.1171.700000111.7P233 P234 K235 F241 I242P233-A237 HydrophobicContact CB-CB 4.24Å; P234-A237 HydrophobicContact CG-CB 4.04Å; P234-A237 VanDerWaalsContact O-CB 3.27Å; P234-A237 WeakPolarHBondContact O-CB 3.35Å; P234-A237 PolarHBondContact O-N 2.91Å; P234-A237 VanDerWaalsContact O-N 3.15Å; K235-A237 VanDerWaalsContact C-N 3.3Å; A237-F241 HydrophobicContact CB-CB 4.22Å; A237-F241 HydrophobicContact CB-CD1 3.85Å; A237-F241 HydrophobicContact CB-CE1 4.49Å; A237-F241 HydrophobicContact CB-CG 4.11Å; A237-I242 HydrophobicContact CB-CD1 4.41Å; A237-I242 HydrophobicContact CB-CG1 4.03Å
238S92.8Very high90.1Very high42 Ų4282.2 Ų82.229%0.29443%0.428SS..  trans-63.2158.3176.270.50000112.4A240 F241 I242S238-A240 PolarHBondContact O-N 3.16Å; S238-F241 WeakPolarHBondContact O-CB 3.29Å; S238-F241 PolarHBondContact O-N 3.3Å; S238-F241 VanDerWaalsContact O-N 3.16Å; S238-F241 WeakPolarHBondContact OG-CB 3.46Å; S238-F241 PolarHBondContact OG-N 3.42Å; S238-I242 WeakPolarHBondContact O-CG1 3.27Å; S238-I242 PolarHBondContact O-N 2.9Å
239E95.4Very high90.5Very high174 Ų17485.8 Ų85.881%0.81344%0.441SS*.Hα-helixtrans-58.9-36.4175.3-69.8-170.5170.600112.1I242 S243E239-I242 PolarHBondContact O-N 3.23Å; E239-S243 VanDerWaalsContact O-CB 3.24Å; E239-S243 WeakPolarHBondContact O-CB 3.22Å; E239-S243 PolarHBondContact O-N 3.18Å
240A95Very high91.3Very high58 Ų5882.9 Ų82.948%0.47941%0.412SS..Hα-helixtrans-61.2-48.6174.900000111.1S238 I242 S243 T244 V285S238-A240 PolarHBondContact O-N 3.16Å; A240-I242 PolarHBondContact O-N 3.41Å; A240-S243 PolarHBondContact O-N 3.07Å; A240-T244 WeakPolarHBondContact O-CB 3.27Å; A240-T244 PolarHBondContact O-N 2.91Å; A240-T244 PolarHBondContact O-OG1 3.25Å; A240-T244 VanDerWaalsContact O-OG1 3.07Å; A240-V285 HydrophobicContact CB-CG2 4.35Å
241F95.9Very high92.1Very high2 Ų272.1 Ų72.11%0.00937%0.371CS..Hα-helixtrans-56.9-49176.4-173.7-72.3000111.4H195 P233 P234 A237 S238 S243 T244 L245 V285 M286 D289H195-F241 AromaticContact CE1-CZ 3.76Å; H195-F241 AromaticContact ND1-CZ 3.92Å; P233-F241 HydrophobicContact CB-CD1 4.39Å; P233-F241 HydrophobicContact CB-CE1 4.33Å; P234-F241 HydrophobicContact CG-CE1 4.08Å; P234-F241 HydrophobicContact CG-CZ 3.96Å; A237-F241 HydrophobicContact CB-CB 4.22Å; A237-F241 HydrophobicContact CB-CD1 3.85Å; A237-F241 HydrophobicContact CB-CE1 4.49Å; A237-F241 HydrophobicContact CB-CG 4.11Å; S238-F241 WeakPolarHBondContact O-CB 3.29Å; S238-F241 PolarHBondContact O-N 3.3Å; S238-F241 VanDerWaalsContact O-N 3.16Å; S238-F241 WeakPolarHBondContact OG-CB 3.46Å; S238-F241 PolarHBondContact OG-N 3.42Å; F241-S243 VanDerWaalsContact C-N 3.31Å; F241-S243 PolarHBondContact O-N 3.03Å; F241-T244 PolarHBondContact O-N 3.47Å; F241-L245 HydrophobicContact CD1-CB 4.48Å; F241-L245 HydrophobicContact CE1-CB 4.37Å; F241-L245 HydrophobicContact CE1-CD2 3.86Å; F241-L245 VanDerWaalsContact O-CB 3.27Å; F241-L245 WeakPolarHBondContact O-CB 3.44Å; F241-L245 PolarHBondContact O-N 3.05Å; F241-V285 VanDerWaalsContact CA-CG2 3.45Å; F241-V285 HydrophobicContact CB-CG2 3.82Å; F241-V285 HydrophobicContact CD2-CG1 4.2Å; F241-V285 HydrophobicContact CD2-CG2 4.26Å; F241-V285 HydrophobicContact CG-CG2 4.42Å; F241-M286 HydrophobicContact CE2-CB 4.28Å; F241-M286 HydrophobicContact CE2-CG 3.66Å; F241-M286 HydrophobicContact CZ-CE 4.45Å; F241-M286 HydrophobicContact CZ-CG 4.07Å; F241-D289 HydrophobicContact CD2-CB 3.64Å; F241-D289 HydrophobicContact CE2-CB 3.84Å
242I95.4Very high92.9Very high52 Ų5268.8 Ų68.827%0.26735%0.35SS..Hα-helixtrans-62.6-41.6-178.7-64.7168.2000110.7P233 A237 S238 E239 A240 R246P233-I242 HydrophobicContact CB-CG1 3.95Å; P233-I242 HydrophobicContact CG-CG1 4.26Å; A237-I242 HydrophobicContact CB-CD1 4.41Å; A237-I242 HydrophobicContact CB-CG1 4.03Å; S238-I242 WeakPolarHBondContact O-CG1 3.27Å; S238-I242 PolarHBondContact O-N 2.9Å; E239-I242 PolarHBondContact O-N 3.23Å; A240-I242 PolarHBondContact O-N 3.41Å; I242-R246 VanDerWaalsContact O-CB 3.22Å; I242-R246 WeakPolarHBondContact O-CB 3.47Å; I242-R246 PolarHBondContact O-N 2.95Å
243S96.7Very high93.6Very high49 Ų4958.7 Ų58.734%0.34331%0.312SS..Hα-helixtrans-64.8-50.7179.1-172.10000111.7E239 A240 F241 R246 K247E239-S243 VanDerWaalsContact O-CB 3.24Å; E239-S243 WeakPolarHBondContact O-CB 3.22Å; E239-S243 PolarHBondContact O-N 3.18Å; A240-S243 PolarHBondContact O-N 3.07Å; F241-S243 VanDerWaalsContact C-N 3.31Å; F241-S243 PolarHBondContact O-N 3.03Å; S243-R246 PolarHBondContact O-N 3.23Å; S243-K247 WeakPolarHBondContact O-CB 3.45Å; S243-K247 WeakPolarHBondContact O-CG 3.39Å; S243-K247 PolarHBondContact O-N 3.31Å
244T97.3Very high94.2Very high31 Ų3156 Ų5619%0.1929%0.294CS..Hα-helixtrans-60.4-48.9178.8-58.80000110.9A240 F241 R246 K247 F248 E281 L282 V285A240-T244 WeakPolarHBondContact O-CB 3.27Å; A240-T244 PolarHBondContact O-N 2.91Å; A240-T244 PolarHBondContact O-OG1 3.25Å; A240-T244 VanDerWaalsContact O-OG1 3.07Å; F241-T244 PolarHBondContact O-N 3.47Å; T244-R246 VanDerWaalsContact C-N 3.29Å; T244-R246 PolarHBondContact O-N 3.01Å; T244-K247 PolarHBondContact O-N 3.28Å; T244-F248 WeakPolarHBondContact O-CB 3.35Å; T244-F248 PolarHBondContact O-N 3.42Å; T244-E281 HydrophobicContact CG2-CB 4.47Å; T244-L282 HydrophobicContact CG2-CB 4.47Å; T244-L282 HydrophobicContact CG2-CD1 4.21Å; T244-V285 HydrophobicContact CG2-CG1 3.99Å
245L95.3Very high94.9Very high8 Ų855.4 Ų55.44%0.04229%0.291CS..Hα-helixtrans-62.8-35179.8-174.266.7000112.5V222 P231 P233 F241 L282 M286V222-L245 HydrophobicContact CG1-CD1 3.48Å; V222-L245 VanDerWaalsContact CG1-CD1 3.48Å; P231-L245 HydrophobicContact CB-CD2 3.94Å; P231-L245 HydrophobicContact CB-CG 3.93Å; P233-L245 HydrophobicContact CB-CD2 4.34Å; F241-L245 HydrophobicContact CD1-CB 4.48Å; F241-L245 HydrophobicContact CE1-CB 4.37Å; F241-L245 HydrophobicContact CE1-CD2 3.86Å; F241-L245 VanDerWaalsContact O-CB 3.27Å; F241-L245 WeakPolarHBondContact O-CB 3.44Å; F241-L245 PolarHBondContact O-N 3.05Å; L245-L282 HydrophobicContact CD1-CD1 4.26Å; L245-M286 HydrophobicContact CD1-CE 4.08Å
246R94.2Very high95.7Very high192 Ų19246.4 Ų46.473%0.72525%0.252SS*.Hα-helixtrans-74.5-32.8178.6-170.2-177.6-63.5170.11.3112.7I242 S243 T244I242-R246 VanDerWaalsContact O-CB 3.22Å; I242-R246 WeakPolarHBondContact O-CB 3.47Å; I242-R246 PolarHBondContact O-N 2.95Å; S243-R246 PolarHBondContact O-N 3.23Å; T244-R246 VanDerWaalsContact C-N 3.29Å; T244-R246 PolarHBondContact O-N 3.01Å
247K96.1Very high96.4Very high157 Ų15743.8 Ų43.868%0.68322%0.224SC*.Hα-helixtrans-79.2-23.2178.3-72.9173.5-179.6175.20112.9S243 T244 D249S243-K247 WeakPolarHBondContact O-CB 3.45Å; S243-K247 WeakPolarHBondContact O-CG 3.39Å; S243-K247 PolarHBondContact O-N 3.31Å; T244-K247 PolarHBondContact O-N 3.28Å; K247-D249 PolarHBondContact O-N 2.84Å; K247-D249 VanDerWaalsContact O-N 3.09Å
248F97.2Very high96.8Very high16 Ų1643.2 Ų43.27%0.0722%0.219CC..  trans-71.7101-179.5-157.3-82.5000111.2V222 G223 T244 R250 A252 D278 M279 L282V222-F248 HydrophobicContact CG1-CD1 4.29Å; G223-F248 WeakPolarHBondContact CA-O 3.44Å; T244-F248 WeakPolarHBondContact O-CB 3.35Å; T244-F248 PolarHBondContact O-N 3.42Å; F248-R250 VanDerWaalsContact CD1-O 3.3Å; F248-R250 WeakPolarHBondContact CD1-O 3.27Å; F248-R250 HydrophobicContact CE1-CG 4.06Å; F248-R250 WeakPolarHBondContact CE1-O 3.37Å; F248-R250 HydrophobicContact CZ-CG 4.29Å; F248-A252 HydrophobicContact CD1-CB 4.48Å; F248-A252 HydrophobicContact CE1-CB 3.54Å; F248-A252 HydrophobicContact CZ-CB 3.8Å; F248-D278 HydrophobicContact CD2-CB 4.39Å; F248-D278 HydrophobicContact CE2-CB 3.94Å; F248-D278 WeakPolarHBondContact CE2-O 3.32Å; F248-M279 HydrophobicContact CE2-CG 3.93Å; F248-M279 HydrophobicContact CZ-CG 3.65Å; F248-L282 HydrophobicContact CB-CD1 4.48Å; F248-L282 HydrophobicContact CD1-CD2 4.23Å; F248-L282 HydrophobicContact CD2-CB 4.09Å; F248-L282 HydrophobicContact CD2-CD1 4.35Å; F248-L282 HydrophobicContact CD2-CD2 3.93Å; F248-L282 HydrophobicContact CD2-CG 4.36Å; F248-L282 HydrophobicContact CE1-CD2 4.18Å; F248-L282 HydrophobicContact CE2-CB 4.17Å; F248-L282 HydrophobicContact CE2-CD2 3.88Å; F248-L282 HydrophobicContact CG-CD1 4.41Å; F248-L282 HydrophobicContact CG-CD2 4.11Å; F248-L282 HydrophobicContact CZ-CD2 4.02Å
249D96.3Very high97.1Very high98 Ų9845.2 Ų45.252%0.52422%0.22SC..  trans-113.814.7-162.769.9-31.5000114.6R74 G223 K247R74-D249 IonicContact CZ-OD1 3.04Å; R74-D249 IonicContact CZ-OD2 2.82Å; R74-D249 IonicContact NH1-OD1 2.8Å; R74-D249 PolarHBondContact NH1-OD1 2.9Å; R74-D249 IonicContact NH2-OD1 2.82Å; R74-D249 PolarHBondContact NH2-OD1 2.9Å; R74-D249 IonicContact NH2-OD2 3.23Å; R74-D249 PolarHBondContact NH2-OD2 2.86Å; G223-D249 CarbonylContact O-C 3.59Å; K247-D249 PolarHBondContact O-N 2.84Å; K247-D249 VanDerWaalsContact O-N 3.09Å
250R97.6Very high97.2Very high0 Ų037 Ų370%018%0.182CC..SBendtrans-130.8165172.764176-170.6892110.4D115 V222 G223 F248 A252 L253 P276 D278 M279D115-R250 HydrophobicContact CB-CB 3.74Å; D115-R250 WeakPolarHBondContact O-CD 3.26Å; D115-R250 PolarHBondContact O-NH1 2.86Å; V222-R250 VanDerWaalsContact O-O 3.09Å; G223-R250 CarbonylContact C-O 3.47Å; G223-R250 WeakPolarHBondContact CA-O 3.48Å; G223-R250 CarbonylContact O-C 3.53Å; G223-R250 WeakPolarHBondContact O-CA 3.28Å; G223-R250 PolarHBondContact O-N 3.38Å; G223-R250 VanDerWaalsContact O-O 3.13Å; F248-R250 VanDerWaalsContact CD1-O 3.3Å; F248-R250 WeakPolarHBondContact CD1-O 3.27Å; F248-R250 HydrophobicContact CE1-CG 4.06Å; F248-R250 WeakPolarHBondContact CE1-O 3.37Å; F248-R250 HydrophobicContact CZ-CG 4.29Å; R250-A252 PolarHBondContact O-N 3.09Å; R250-L253 PolarHBondContact NH1-O 2.88Å; R250-P276 VanDerWaalsContact NH2-CG 3.29Å; R250-D278 IonicContact CZ-OD1 3.91Å; R250-D278 IonicContact CZ-OD2 3.6Å; R250-D278 IonicContact NE-OD1 3.04Å; R250-D278 IonicContact NE-OD2 2.75Å; R250-D278 PolarHBondContact NE-OD2 2.82Å; R250-D278 VanDerWaalsContact NH2-CG 3.33Å; R250-D278 IonicContact NH2-OD1 2.8Å; R250-D278 PolarHBondContact NH2-OD1 2.87Å; R250-D278 IonicContact NH2-OD2 3.39Å; R250-D278 PolarHBondContact NH2-OD2 3.36Å; R250-D278 VanDerWaalsContact NH2-OD2 3.15Å; R250-M279 PolarHBondContact NH2-SD 3.27Å; R250-M279 VanDerWaalsContact NH2-SD 3.45Å
251Q98.3Very high97.3Very high2 Ų239.9 Ų39.91%0.00918%0.181CC..  trans-57.6127.5167.762.7-79.81.500110.4D115 T116 R211 L221 V222 D224 L253D115-Q251 VanDerWaalsContact C-NE2 3.33Å; T116-Q251 PolarHBondContact OG1-NE2 3.25Å; R211-Q251 HydrophobicContact CG-CB 4.39Å; R211-Q251 HydrophobicContact CG-CG 4.21Å; L221-Q251 HydrophobicContact CB-CB 4.23Å; L221-Q251 HydrophobicContact CD1-CB 4.18Å; V222-Q251 CarbonylContact O-C 3.55Å; V222-Q251 WeakPolarHBondContact O-CA 3.36Å; D224-Q251 HydrophobicContact CB-CB 3.96Å; Q251-L253 HydrophobicContact CB-CB 4.4Å; Q251-L253 HydrophobicContact CG-CB 3.83Å; Q251-L253 HydrophobicContact CG-CD2 4.38Å; Q251-L253 PolarHBondContact O-N 3.43Å
252A98.5Very high97.4Very high0 Ų040.2 Ų40.20%018%0.183CC..SBendtrans-70.674.7174.200000109.2A147 V148 V222 F248 R250 L282A147-A252 CarbonylContact C-O 3.31Å; A147-A252 WeakPolarHBondContact CA-O 3.35Å; A147-A252 VanDerWaalsContact CB-O 3.32Å; A147-A252 WeakPolarHBondContact CB-O 3.4Å; V148-A252 HydrophobicContact CB-CB 3.83Å; V148-A252 HydrophobicContact CG2-CB 4.35Å; V148-A252 PolarHBondContact N-O 3.44Å; V222-A252 HydrophobicContact CB-CB 4.06Å; V222-A252 PolarHBondContact O-N 2.94Å; F248-A252 HydrophobicContact CD1-CB 4.48Å; F248-A252 HydrophobicContact CE1-CB 3.54Å; F248-A252 HydrophobicContact CZ-CB 3.8Å; R250-A252 PolarHBondContact O-N 3.09Å; A252-L282 HydrophobicContact CB-CD2 3.97Å
253L98.8Very high97.5Very high5 Ų538.1 Ų38.13%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-141.8131.8-173.7-17258.9000109.8T116 Y145 A147 I210 R211 L221 R250 Q251T116-L253 HydrophobicContact CG2-CB 4.41Å; T116-L253 HydrophobicContact CG2-CD2 4.07Å; T116-L253 HydrophobicContact CG2-CG 3.94Å; Y145-L253 HydrophobicContact CD1-CD1 4.16Å; Y145-L253 HydrophobicContact CD1-CG 4.42Å; Y145-L253 HydrophobicContact CG-CD1 4.44Å; A147-L253 HydrophobicContact CB-CD1 3.85Å; I210-L253 HydrophobicContact CB-CD2 4.15Å; I210-L253 HydrophobicContact CD1-CD1 3.95Å; I210-L253 HydrophobicContact CD1-CD2 4.32Å; I210-L253 HydrophobicContact CG2-CD1 3.91Å; I210-L253 HydrophobicContact CG2-CD2 4.14Å; R211-L253 HydrophobicContact CG-CD2 4.3Å; L221-L253 HydrophobicContact CD1-CB 3.81Å; L221-L253 HydrophobicContact CD1-CD1 4.1Å; L221-L253 HydrophobicContact CD1-CD2 4.07Å; L221-L253 HydrophobicContact CD1-CG 4.21Å; R250-L253 PolarHBondContact NH1-O 2.88Å; Q251-L253 HydrophobicContact CB-CB 4.4Å; Q251-L253 HydrophobicContact CG-CB 3.83Å; Q251-L253 HydrophobicContact CG-CD2 4.38Å; Q251-L253 PolarHBondContact O-N 3.43Å
254H98.8Very high97.4Very high1 Ų138.9 Ų38.91%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-143.9129.3-178.2177.661.7000110.7T117 G118 Y145 E146 T256 A273 P274 M279T117-H254 CarbonylContact O-C 3.59Å; T117-H254 WeakPolarHBondContact O-CA 3.33Å; T117-H254 PolarHBondContact O-ND1 2.85Å; T117-H254 PolarHBondContact OG1-ND1 3.48Å; G118-H254 WeakPolarHBondContact CA-CE1 3.41Å; Y145-H254 CarbonylContact C-O 3.07Å; Y145-H254 WeakPolarHBondContact CA-O 3.46Å; E146-H254 PolarHBondContact N-O 3.36Å; E146-H254 PolarHBondContact O-N 3.21Å; H254-T256 PolarHBondContact O-N 2.87Å; H254-T256 VanDerWaalsContact O-N 3.17Å; H254-A273 PolarHBondContact NE2-O 3.38Å; H254-P274 PolarHBondContact NE2-O 2.81Å; H254-M279 HydrophobicContact CB-CE 4.2Å; H254-M279 HydrophobicContact CB-SD 3.79Å
255A98.6Very high97.4Very high4 Ų440.8 Ų40.83%0.03319%0.187CC..EExtended strand (participates in β ladder)trans-7893.5172.400000109.6L112 T117 G118 L119 Y145L112-A255 HydrophobicContact CD1-CB 4.08Å; L112-A255 HydrophobicContact CD2-CB 4Å; T117-A255 PolarHBondContact O-N 2.94Å; G118-A255 WeakPolarHBondContact CA-O 3.39Å; L119-A255 PolarHBondContact N-O 2.91Å; Y145-A255 HydrophobicContact CD1-CB 3.88Å; Y145-A255 HydrophobicContact CE1-CB 3.64Å
256T98.3Very high97.5Very high9 Ų942.5 Ų42.56%0.05521%0.206CC..EExtended strand (participates in β ladder)trans-87.5-31.7-165.3-169.40000113.9E144 E146 H254 H272 A273E144-T256 HydrophobicContact CG-CG2 4.33Å; E144-T256 PolarHBondContact O-N 2.89Å; E146-T256 HydrophobicContact CB-CG2 4.19Å; H254-T256 PolarHBondContact O-N 2.87Å; H254-T256 VanDerWaalsContact O-N 3.17Å; T256-H272 CarbonylContact O-C 3.47Å; T256-H272 VanDerWaalsContact O-CA 3.3Å; T256-H272 WeakPolarHBondContact O-CA 3.41Å; T256-A273 PolarHBondContact O-N 2.88Å
257M98.4Very high97.6Very high5 Ų538.6 Ų38.63%0.02520%0.198CC..EExtended strand (participates in β ladder)trans-142.7140.8-179.2176.9-79.6-80.700111.7T142 E144 R259 E270 W271T142-M257 HydrophobicContact CG2-CE 3.95Å; T142-M257 HydrophobicContact CG2-SD 4.46Å; E144-M257 HydrophobicContact CB-CB 4.17Å; E144-M257 HydrophobicContact CB-CE 3.82Å; E144-M257 HydrophobicContact CB-SD 4.46Å; E144-M257 PolarHBondContact N-O 2.96Å; E144-M257 PolarHBondContact O-N 3.44Å; M257-R259 HydrophobicContact SD-CB 3.83Å; M257-E270 HydrophobicContact CG-CG 3.86Å; M257-E270 HydrophobicContact SD-CG 4.22Å; M257-W271 WeakPolarHBondContact CA-O 3.3Å
258L97.9Very high97.8Very high3 Ų336.2 Ų36.22%0.01619%0.19CC..EExtended strand (participates in β ladder)trans-128.2129.3174-161.6113.2000109.3I69 L119 V121 T142 R143 L260 E270 W271I69-L258 HydrophobicContact CD1-CD2 4.04Å; L119-L258 HydrophobicContact CB-CB 4.24Å; L119-L258 HydrophobicContact CD1-CB 3.89Å; V121-L258 HydrophobicContact CB-CD2 3.81Å; V121-L258 HydrophobicContact CG1-CD1 4.43Å; V121-L258 HydrophobicContact CG1-CD2 3.93Å; T142-L258 WeakPolarHBondContact O-CA 3.34Å; R143-L258 HydrophobicContact CG-CD1 4.11Å; L258-L260 HydrophobicContact CD2-CD2 3.56Å; L258-L260 HydrophobicContact CD2-CG 4.4Å; L258-E270 WeakPolarHBondContact O-CA 3.4Å; L258-W271 HydrophobicContact CB-CE3 4.48Å; L258-W271 HydrophobicContact CD2-CE3 4Å; L258-W271 HydrophobicContact CD2-CZ3 4Å; L258-W271 PolarHBondContact N-O 2.86Å; L258-W271 PolarHBondContact O-N 3.04Å
259R98.4Very high97.8Very high83 Ų8337.5 Ų37.531%0.31320%0.196SC..EExtended strand (participates in β ladder)trans-132.9133.6175.7-172-168.8-53.5-179.5-4.4110.7T142 M257 E268 M269 E270T142-R259 PolarHBondContact N-O 3.4Å; T142-R259 PolarHBondContact O-N 2.87Å; M257-R259 HydrophobicContact SD-CB 3.83Å; R259-E268 VanDerWaalsContact CD-OE1 3.28Å; R259-E268 WeakPolarHBondContact CD-OE1 3.32Å; R259-E268 HydrophobicContact CG-CG 4.19Å; R259-M269 VanDerWaalsContact CA-O 3.26Å; R259-M269 WeakPolarHBondContact CA-O 3.39Å; R259-M269 WeakPolarHBondContact CG-O 3.33Å; R259-E270 HydrophobicContact CB-CB 4.4Å; R259-E270 HydrophobicContact CG-CB 4.24Å; R259-E270 IonicContact CZ-OE2 2.73Å; R259-E270 IonicContact NE-OE2 3.19Å; R259-E270 PolarHBondContact NE-OE2 3.19Å; R259-E270 IonicContact NH2-OE2 3.86Å; R259-E270 PolarHBondContact NH2-OE2 3.45Å
260L97.8Very high97.9Very high1 Ų136.6 Ų36.61%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-157.6162.5179.454.585.9000111.3V121 L132 I141 L258 M269 W271V121-L260 HydrophobicContact CB-CD2 4.37Å; V121-L260 HydrophobicContact CG1-CD2 4.12Å; V121-L260 HydrophobicContact CG2-CD2 4.16Å; L132-L260 HydrophobicContact CD2-CD1 4.48Å; L132-L260 HydrophobicContact CD2-CD2 4.02Å; I141-L260 HydrophobicContact CB-CB 4.41Å; I141-L260 HydrophobicContact CD1-CB 4.3Å; I141-L260 HydrophobicContact CD1-CD2 4.07Å; I141-L260 HydrophobicContact CG1-CB 3.93Å; I141-L260 HydrophobicContact CG2-CB 4.21Å; I141-L260 HydrophobicContact CG2-CD2 4.28Å; L258-L260 HydrophobicContact CD2-CD2 3.56Å; L258-L260 HydrophobicContact CD2-CG 4.4Å; L260-M269 PolarHBondContact N-O 2.83Å; L260-M269 PolarHBondContact O-N 2.98Å; L260-W271 HydrophobicContact CD1-CH2 4.03Å; L260-W271 HydrophobicContact CD1-CZ3 4.09Å; L260-W271 HydrophobicContact CD2-CZ3 4.17Å; L260-W271 HydrophobicContact CG-CH2 4.34Å; L260-W271 HydrophobicContact CG-CZ3 3.88Å
261Y98Very high98Very high119 Ų11937.7 Ų37.747%0.46719%0.193SC..EExtended strand (participates in β ladder)trans-77.7124.5161.6-62.5-77.1000109G266 I267 E268Y261-G266 WeakPolarHBondContact CD1-O 3.48Å; Y261-I267 CarbonylContact C-O 3.56Å; Y261-I267 WeakPolarHBondContact CA-O 3.43Å; Y261-E268 HydrophobicContact CD1-CB 3.88Å; Y261-E268 HydrophobicContact CD1-CG 4.38Å; Y261-E268 HydrophobicContact CE1-CB 3.76Å; Y261-E268 HydrophobicContact CE1-CG 4.15Å
262H98.3Very high98Very high9 Ų942.5 Ų42.54%0.04222%0.215CC..  trans-53.5129.5178.8-176.9-80.3000109.7D64 D66 I264 S265 G266 I267 M269D64-H262 IonicContact OD1-NE2 3.67Å; D64-H262 IonicContact OD2-CD2 3.5Å; D64-H262 PolarHBondContact OD2-CD2 2.95Å; D64-H262 IonicContact OD2-NE2 3.02Å; D64-H262 PolarHBondContact OD2-NE2 3.4Å; D66-H262 IonicContact OD2-CE1 3.42Å; D66-H262 PolarHBondContact OD2-CE1 3.41Å; H262-I264 PolarHBondContact ND1-N 2.83Å; H262-I264 PolarHBondContact O-N 3.34Å; H262-I264 VanDerWaalsContact O-N 3.12Å; H262-S265 WeakPolarHBondContact CB-OG 3.39Å; H262-S265 PolarHBondContact ND1-N 2.85Å; H262-S265 PolarHBondContact ND1-OG 3.24Å; H262-G266 VanDerWaalsContact O-CA 3.28Å; H262-G266 WeakPolarHBondContact O-CA 3.25Å; H262-G266 PolarHBondContact O-N 2.85Å; H262-I267 WeakPolarHBondContact CB-O 3.37Å; H262-I267 PolarHBondContact N-O 3.41Å; H262-M269 HydrophobicContact CB-CG 4.35Å; H262-M269 HydrophobicContact CB-SD 3.75Å
263P96.2Very high98Very high8 Ų842.6 Ų42.65%0.05222%0.217CC..THydrogen-bonded Turntrans-61.6-32.8-165.422.2-33.3000112.7I67 A128 R131 L132I67-P263 HydrophobicContact CG2-CG 3.62Å; A128-P263 HydrophobicContact CB-CB 4.25Å; A128-P263 HydrophobicContact CB-CG 3.86Å; R131-P263 HydrophobicContact CB-CB 3.9Å; R131-P263 WeakPolarHBondContact CD-O 3.36Å; R131-P263 PolarHBondContact NH1-O 3.04Å; L132-P263 HydrophobicContact CD2-CB 4.37Å; L132-P263 HydrophobicContact CD2-CG 4.32Å; L132-P263 HydrophobicContact CG-CB 4.14Å; L132-P263 HydrophobicContact CG-CG 4.14Å
264I96.2Very high97.9Very high66 Ų6647.1 Ų47.134%0.33825%0.246SC..THydrogen-bonded Turntrans-91.6-60.8-179.2-57.1-47.9000112.7D66 P127 R131 H262 G266D66-I264 HydrophobicContact CB-CG1 4.04Å; D66-I264 VanDerWaalsContact OD1-CG1 3.26Å; D66-I264 WeakPolarHBondContact OD1-CG1 3.27Å; D66-I264 WeakPolarHBondContact OD2-CB 3.15Å; D66-I264 WeakPolarHBondContact OD2-CG1 3.37Å; P127-I264 HydrophobicContact CB-CD1 4.13Å; R131-I264 PolarHBondContact NH1-O 2.86Å; H262-I264 PolarHBondContact ND1-N 2.83Å; H262-I264 PolarHBondContact O-N 3.34Å; H262-I264 VanDerWaalsContact O-N 3.12Å; I264-G266 PolarHBondContact O-N 2.88Å
265S97Very high97.9Very high71 Ų7149.3 Ų49.350%0.49726%0.258SS..THydrogen-bonded Turntrans-70.9-22.2-17865.30000115.6H262 I267H262-S265 WeakPolarHBondContact CB-OG 3.39Å; H262-S265 PolarHBondContact ND1-N 2.85Å; H262-S265 PolarHBondContact ND1-OG 3.24Å; S265-I267 PolarHBondContact O-N 3.05Å; S265-I267 PolarHBondContact OG-N 3.11Å
266G95.8Very high97.9Very high43 Ų4350.6 Ų50.644%0.44327%0.265SS..  trans72.57.5-176.100000115Y261 H262 I264Y261-G266 WeakPolarHBondContact CD1-O 3.48Å; H262-G266 VanDerWaalsContact O-CA 3.28Å; H262-G266 WeakPolarHBondContact O-CA 3.25Å; H262-G266 PolarHBondContact O-N 2.85Å; I264-G266 PolarHBondContact O-N 2.88Å
267I98.1Very high97.9Very high110 Ų11055.9 Ų55.956%0.56429%0.29SS*.  trans-72.6134.6177-64.1171.9000109.4Y261 H262 S265 M269Y261-I267 CarbonylContact C-O 3.56Å; Y261-I267 WeakPolarHBondContact CA-O 3.43Å; H262-I267 WeakPolarHBondContact CB-O 3.37Å; H262-I267 PolarHBondContact N-O 3.41Å; S265-I267 PolarHBondContact O-N 3.05Å; S265-I267 PolarHBondContact OG-N 3.11Å; I267-M269 HydrophobicContact CG2-CG 4.36Å; I267-M269 PolarHBondContact O-N 3.14Å
268E98.4Very high97.8Very high108 Ų10857.6 Ų57.651%0.50530%0.299SS..EExtended strand (participates in β ladder)trans-70.6127.4173.4-165.4178.3-15400110.3R259 Y261R259-E268 VanDerWaalsContact CD-OE1 3.28Å; R259-E268 WeakPolarHBondContact CD-OE1 3.32Å; R259-E268 HydrophobicContact CG-CG 4.19Å; Y261-E268 HydrophobicContact CD1-CB 3.88Å; Y261-E268 HydrophobicContact CD1-CG 4.38Å; Y261-E268 HydrophobicContact CE1-CB 3.76Å; Y261-E268 HydrophobicContact CE1-CG 4.15Å
269M98.6Very high97.9Very high42 Ų4257.4 Ų57.421%0.20730%0.298CS..EExtended strand (participates in β ladder)trans-130.2148.3-177-59.9-174.978.800110.7Y62 R259 L260 H262 I267 W271Y62-M269 HydrophobicContact CE1-CE 4.19Å; Y62-M269 HydrophobicContact CE2-CE 4.07Å; R259-M269 VanDerWaalsContact CA-O 3.26Å; R259-M269 WeakPolarHBondContact CA-O 3.39Å; R259-M269 WeakPolarHBondContact CG-O 3.33Å; L260-M269 PolarHBondContact N-O 2.83Å; L260-M269 PolarHBondContact O-N 2.98Å; H262-M269 HydrophobicContact CB-CG 4.35Å; H262-M269 HydrophobicContact CB-SD 3.75Å; I267-M269 HydrophobicContact CG2-CG 4.36Å; I267-M269 PolarHBondContact O-N 3.14Å; M269-W271 HydrophobicContact CB-CH2 3.49Å; M269-W271 VanDerWaalsContact CB-CH2 3.49Å; M269-W271 HydrophobicContact CB-CZ2 3.73Å; M269-W271 HydrophobicContact CB-CZ3 4.02Å; M269-W271 HydrophobicContact CE-CH2 4.43Å; M269-W271 HydrophobicContact CE-CZ2 3.66Å; M269-W271 HydrophobicContact CG-CH2 4.37Å; M269-W271 HydrophobicContact CG-CZ2 4.43Å; M269-W271 HydrophobicContact SD-CH2 4.08Å; M269-W271 HydrophobicContact SD-CZ2 3.9Å
270E98.6Very high97.9Very high80 Ų8055.2 Ų55.237%0.37429%0.294SS..EExtended strand (participates in β ladder)trans-137.2138.9178.9178.2168.4110.700111.2M257 L258 R259 H272M257-E270 HydrophobicContact CG-CG 3.86Å; M257-E270 HydrophobicContact SD-CG 4.22Å; L258-E270 WeakPolarHBondContact O-CA 3.4Å; R259-E270 HydrophobicContact CB-CB 4.4Å; R259-E270 HydrophobicContact CG-CB 4.24Å; R259-E270 IonicContact CZ-OE2 2.73Å; R259-E270 IonicContact NE-OE2 3.19Å; R259-E270 PolarHBondContact NE-OE2 3.19Å; R259-E270 IonicContact NH2-OE2 3.86Å; R259-E270 PolarHBondContact NH2-OE2 3.45Å; E270-H272 IonicContact OE1-CD2 3.74Å; E270-H272 IonicContact OE1-CE1 3.56Å; E270-H272 IonicContact OE1-NE2 2.71Å; E270-H272 PolarHBondContact OE1-NE2 3.03Å
271W98.7Very high97.9Very high23 Ų2359.6 Ų59.69%0.08731%0.314CS..EExtended strand (participates in β ladder)trans-131.1152.1174-54.5-90.4000110.8Y62 I67 I69 L119 M257 L258 L260 M269Y62-W271 VanDerWaalsContact CB-NE1 3.31Å; Y62-W271 AromaticContact CD1-CE2 3.98Å; Y62-W271 AromaticContact CD1-CZ2 3.79Å; Y62-W271 HydrophobicContact CD1-CZ2 3.79Å; Y62-W271 AromaticContact CD1-NE1 3.72Å; Y62-W271 AromaticContact CD2-NE1 3.74Å; Y62-W271 HydrophobicContact CE1-CZ2 4.01Å; Y62-W271 HydrophobicContact CG-CZ2 4.27Å; Y62-W271 AromaticContact CG-NE1 3.28Å; Y62-W271 VanDerWaalsContact CG-NE1 3.28Å; I67-W271 HydrophobicContact CD1-CH2 3.65Å; I67-W271 HydrophobicContact CD1-CZ2 3.9Å; I69-W271 HydrophobicContact CD1-CD2 4.12Å; I69-W271 HydrophobicContact CD1-CE3 3.87Å; I69-W271 HydrophobicContact CD1-CH2 4.04Å; I69-W271 HydrophobicContact CD1-CZ2 4.28Å; I69-W271 HydrophobicContact CD1-CZ3 3.83Å; I69-W271 HydrophobicContact CG1-CD2 3.71Å; I69-W271 HydrophobicContact CG1-CE3 4.01Å; I69-W271 HydrophobicContact CG1-CG 4.15Å; I69-W271 HydrophobicContact CG1-CH2 4.21Å; I69-W271 HydrophobicContact CG1-CZ2 3.93Å; I69-W271 HydrophobicContact CG1-CZ3 4.24Å; I69-W271 HydrophobicContact CG2-CB 4.26Å; I69-W271 HydrophobicContact CG2-CG 4.24Å; L119-W271 HydrophobicContact CD1-CB 4.26Å; L119-W271 WeakPolarHBondContact CD1-O 3.47Å; M257-W271 WeakPolarHBondContact CA-O 3.3Å; L258-W271 HydrophobicContact CB-CE3 4.48Å; L258-W271 HydrophobicContact CD2-CE3 4Å; L258-W271 HydrophobicContact CD2-CZ3 4Å; L258-W271 PolarHBondContact N-O 2.86Å; L258-W271 PolarHBondContact O-N 3.04Å; L260-W271 HydrophobicContact CD1-CH2 4.03Å; L260-W271 HydrophobicContact CD1-CZ3 4.09Å; L260-W271 HydrophobicContact CD2-CZ3 4.17Å; L260-W271 HydrophobicContact CG-CH2 4.34Å; L260-W271 HydrophobicContact CG-CZ3 3.88Å; M269-W271 HydrophobicContact CB-CH2 3.49Å; M269-W271 VanDerWaalsContact CB-CH2 3.49Å; M269-W271 HydrophobicContact CB-CZ2 3.73Å; M269-W271 HydrophobicContact CB-CZ3 4.02Å; M269-W271 HydrophobicContact CE-CH2 4.43Å; M269-W271 HydrophobicContact CE-CZ2 3.66Å; M269-W271 HydrophobicContact CG-CH2 4.37Å; M269-W271 HydrophobicContact CG-CZ2 4.43Å; M269-W271 HydrophobicContact SD-CH2 4.08Å; M269-W271 HydrophobicContact SD-CZ2 3.9Å
272H98.5Very high97.9Very high102 Ų10254 Ų5447%0.47229%0.292SS..EExtended strand (participates in β ladder)trans-125.3141.1176.6-68.3-100.8000110.3T256 E270T256-H272 CarbonylContact O-C 3.47Å; T256-H272 VanDerWaalsContact O-CA 3.3Å; T256-H272 WeakPolarHBondContact O-CA 3.41Å; E270-H272 IonicContact OE1-CD2 3.74Å; E270-H272 IonicContact OE1-CE1 3.56Å; E270-H272 IonicContact OE1-NE2 2.71Å; E270-H272 PolarHBondContact OE1-NE2 3.03Å
273A97.8Very high97.9Very high3 Ų353.9 Ų53.93%0.02529%0.292CS..  trans-106.1134.1164.200000108.9L119 H254 T256L119-A273 HydrophobicContact CD1-CB 4.44Å; L119-A273 HydrophobicContact CD2-CB 3.76Å; L119-A273 HydrophobicContact CG-CB 3.72Å; H254-A273 PolarHBondContact NE2-O 3.38Å; T256-A273 PolarHBondContact O-N 2.88Å
274P97.8Very high97.9Very high100 Ų10058.6 Ų58.665%0.64931%0.313SS*.PPolyproline II helixtrans-64143.4174.627.8-33.3000110H254H254-P274 PolarHBondContact NE2-O 2.81Å
275I97.9Very high98Very high47 Ų4756.5 Ų56.524%0.24130%0.303CS..PPolyproline II helixtrans-57.2128174.5-59.8174.5000108E146 M279 V280 I283E146-I275 HydrophobicContact CG-CD1 4.41Å; E146-I275 VanDerWaalsContact OE1-CD1 3.24Å; E146-I275 WeakPolarHBondContact OE1-CD1 3.45Å; I275-M279 HydrophobicContact CG2-CB 3.54Å; I275-V280 HydrophobicContact CB-CG2 4.1Å; I275-V280 HydrophobicContact CG2-CG2 3.93Å; I275-V280 WeakPolarHBondContact O-CG2 3.27Å; I275-I283 HydrophobicContact CD1-CD1 4.48Å; I275-I283 HydrophobicContact CG2-CD1 4.42Å
276P98.2Very high97.9Very high30 Ų3053.2 Ų53.220%0.19528%0.28CS..PPolyproline II helixtrans-65.3150.2-177.828.1-37000111.1R250 D278 M279 V280R250-P276 VanDerWaalsContact NH2-CG 3.29Å; P276-D278 WeakPolarHBondContact CB-OD1 3.26Å; P276-D278 WeakPolarHBondContact CG-OD1 3.27Å; P276-D278 PolarHBondContact O-N 2.69Å; P276-D278 VanDerWaalsContact O-N 3.13Å; P276-M279 HydrophobicContact CG-CB 4.22Å; P276-M279 HydrophobicContact CG-CG 4.25Å; P276-M279 HydrophobicContact CG-SD 4.11Å; P276-M279 PolarHBondContact O-N 2.98Å; P276-V280 PolarHBondContact O-N 3.24Å
277Q98.2Very high97.8Very high121 Ų12154.6 Ų54.657%0.56527%0.272SS*.Hα-helixtrans-53.6-38.3-172.3-175.158.828.600113.6M279 V280 E281Q277-M279 VanDerWaalsContact C-N 3.31Å; Q277-M279 PolarHBondContact O-N 2.88Å; Q277-V280 PolarHBondContact O-N 3.03Å; Q277-E281 WeakPolarHBondContact CG-OE1 3.47Å; Q277-E281 PolarHBondContact NE2-OE1 3.41Å; Q277-E281 VanDerWaalsContact NE2-OE1 3.09Å; Q277-E281 WeakPolarHBondContact O-CG 3.5Å; Q277-E281 PolarHBondContact O-N 3.18Å
278D98.1Very high97.4Very high40 Ų4051.1 Ų51.121%0.21426%0.26CS..Hα-helixtrans-60.3-39.3177.361.1-3000112.7R74 F248 R250 P276 L282R74-D278 IonicContact NH1-OD2 2.72Å; F248-D278 HydrophobicContact CD2-CB 4.39Å; F248-D278 HydrophobicContact CE2-CB 3.94Å; F248-D278 WeakPolarHBondContact CE2-O 3.32Å; R250-D278 IonicContact CZ-OD1 3.91Å; R250-D278 IonicContact CZ-OD2 3.6Å; R250-D278 IonicContact NE-OD1 3.04Å; R250-D278 IonicContact NE-OD2 2.75Å; R250-D278 PolarHBondContact NE-OD2 2.82Å; R250-D278 VanDerWaalsContact NH2-CG 3.33Å; R250-D278 IonicContact NH2-OD1 2.8Å; R250-D278 PolarHBondContact NH2-OD1 2.87Å; R250-D278 IonicContact NH2-OD2 3.39Å; R250-D278 PolarHBondContact NH2-OD2 3.36Å; R250-D278 VanDerWaalsContact NH2-OD2 3.15Å; P276-D278 WeakPolarHBondContact CB-OD1 3.26Å; P276-D278 WeakPolarHBondContact CG-OD1 3.27Å; P276-D278 PolarHBondContact O-N 2.69Å; P276-D278 VanDerWaalsContact O-N 3.13Å; D278-L282 WeakPolarHBondContact O-CB 3.49Å; D278-L282 PolarHBondContact O-N 3.05Å
279M98.5Very high97Very high0 Ų046.1 Ų46.10%024%0.237CC..Hα-helixtrans-77.3-32.6175.9-77.8-179.866.600112.3F248 R250 H254 I275 P276 Q277 L282 I283F248-M279 HydrophobicContact CE2-CG 3.93Å; F248-M279 HydrophobicContact CZ-CG 3.65Å; R250-M279 PolarHBondContact NH2-SD 3.27Å; R250-M279 VanDerWaalsContact NH2-SD 3.45Å; H254-M279 HydrophobicContact CB-CE 4.2Å; H254-M279 HydrophobicContact CB-SD 3.79Å; I275-M279 HydrophobicContact CG2-CB 3.54Å; P276-M279 HydrophobicContact CG-CB 4.22Å; P276-M279 HydrophobicContact CG-CG 4.25Å; P276-M279 HydrophobicContact CG-SD 4.11Å; P276-M279 PolarHBondContact O-N 2.98Å; Q277-M279 VanDerWaalsContact C-N 3.31Å; Q277-M279 PolarHBondContact O-N 2.88Å; M279-L282 PolarHBondContact O-N 3.01Å; M279-I283 WeakPolarHBondContact O-CB 3.25Å; M279-I283 WeakPolarHBondContact O-CD1 3.39Å; M279-I283 WeakPolarHBondContact O-CG1 3.28Å; M279-I283 PolarHBondContact O-N 3.14Å
280V98.4Very high96.4Very high37 Ų3747 Ų4722%0.22424%0.239CC..Hα-helixtrans-59.3-52.1173174.70000109.7I275 P276 Q277 L282 I283 E284I275-V280 HydrophobicContact CB-CG2 4.1Å; I275-V280 HydrophobicContact CG2-CG2 3.93Å; I275-V280 WeakPolarHBondContact O-CG2 3.27Å; P276-V280 PolarHBondContact O-N 3.24Å; Q277-V280 PolarHBondContact O-N 3.03Å; V280-L282 VanDerWaalsContact C-N 3.31Å; V280-L282 PolarHBondContact O-N 3.41Å; V280-I283 PolarHBondContact O-N 2.97Å; V280-I283 VanDerWaalsContact O-N 3.17Å; V280-E284 HydrophobicContact CG1-CG 4.33Å; V280-E284 WeakPolarHBondContact O-CB 3.27Å; V280-E284 WeakPolarHBondContact O-CG 3.46Å; V280-E284 PolarHBondContact O-N 2.94Å
281E98.2Very high95.5Very high93 Ų9348.6 Ų48.644%0.43525%0.247SC..Hα-helixtrans-58.9-41.3177.8-70.6171.7-16100112.3T244 Q277 V285T244-E281 HydrophobicContact CG2-CB 4.47Å; Q277-E281 WeakPolarHBondContact CG-OE1 3.47Å; Q277-E281 PolarHBondContact NE2-OE1 3.41Å; Q277-E281 VanDerWaalsContact NE2-OE1 3.09Å; Q277-E281 WeakPolarHBondContact O-CG 3.5Å; Q277-E281 PolarHBondContact O-N 3.18Å; E281-V285 WeakPolarHBondContact O-CG1 3.32Å; E281-V285 PolarHBondContact O-N 3.01Å; E281-V285 VanDerWaalsContact O-N 3.11Å
282L98Very high94.7Very high1 Ų153.6 Ų53.61%0.00527%0.271CS..Hα-helixtrans-62.6-45.8176.2-174.870.4000112V148 V222 T244 L245 F248 A252 D278 M279 V280 V285 M286V148-L282 HydrophobicContact CB-CD2 4.23Å; V148-L282 HydrophobicContact CG1-CD2 4.41Å; V148-L282 HydrophobicContact CG2-CD2 4.25Å; V222-L282 HydrophobicContact CB-CD2 4.34Å; V222-L282 HydrophobicContact CG1-CD1 4.32Å; V222-L282 HydrophobicContact CG1-CD2 3.93Å; T244-L282 HydrophobicContact CG2-CB 4.47Å; T244-L282 HydrophobicContact CG2-CD1 4.21Å; L245-L282 HydrophobicContact CD1-CD1 4.26Å; F248-L282 HydrophobicContact CB-CD1 4.48Å; F248-L282 HydrophobicContact CD1-CD2 4.23Å; F248-L282 HydrophobicContact CD2-CB 4.09Å; F248-L282 HydrophobicContact CD2-CD1 4.35Å; F248-L282 HydrophobicContact CD2-CD2 3.93Å; F248-L282 HydrophobicContact CD2-CG 4.36Å; F248-L282 HydrophobicContact CE1-CD2 4.18Å; F248-L282 HydrophobicContact CE2-CB 4.17Å; F248-L282 HydrophobicContact CE2-CD2 3.88Å; F248-L282 HydrophobicContact CG-CD1 4.41Å; F248-L282 HydrophobicContact CG-CD2 4.11Å; F248-L282 HydrophobicContact CZ-CD2 4.02Å; A252-L282 HydrophobicContact CB-CD2 3.97Å; D278-L282 WeakPolarHBondContact O-CB 3.49Å; D278-L282 PolarHBondContact O-N 3.05Å; M279-L282 PolarHBondContact O-N 3.01Å; V280-L282 VanDerWaalsContact C-N 3.31Å; V280-L282 PolarHBondContact O-N 3.41Å; L282-V285 WeakPolarHBondContact O-CG1 3.24Å; L282-M286 HydrophobicContact CD1-CE 3.62Å; L282-M286 HydrophobicContact CD2-CE 4.39Å; L282-M286 HydrophobicContact CG-CE 3.9Å; L282-M286 HydrophobicContact CG-SD 4.33Å; L282-M286 WeakPolarHBondContact O-CB 3.33Å; L282-M286 VanDerWaalsContact O-CG 3.24Å; L282-M286 WeakPolarHBondContact O-CG 3.34Å; L282-M286 PolarHBondContact O-N 3.34Å
283I97.9Very high93.5Very high7 Ų752 Ų524%0.03626%0.264CS..Hα-helixtrans-67.5-43.8-179-73.9164.6000110.5V148 F192 I275 M279 V280 M286 R287V148-I283 HydrophobicContact CG2-CD1 4.34Å; V148-I283 HydrophobicContact CG2-CG1 3.87Å; F192-I283 HydrophobicContact CZ-CG2 4.2Å; I275-I283 HydrophobicContact CD1-CD1 4.48Å; I275-I283 HydrophobicContact CG2-CD1 4.42Å; M279-I283 WeakPolarHBondContact O-CB 3.25Å; M279-I283 WeakPolarHBondContact O-CD1 3.39Å; M279-I283 WeakPolarHBondContact O-CG1 3.28Å; M279-I283 PolarHBondContact O-N 3.14Å; V280-I283 PolarHBondContact O-N 2.97Å; V280-I283 VanDerWaalsContact O-N 3.17Å; I283-M286 PolarHBondContact O-N 3.31Å; I283-R287 VanDerWaalsContact CG2-NH2 3.33Å; I283-R287 WeakPolarHBondContact O-CB 3.36Å; I283-R287 PolarHBondContact O-N 3.09Å
284E97.8Very high92Very high107 Ų10758 Ų5850%0.529%0.289SS..Hα-helixtrans-64.2-44.1-179.2-74.2-179.816900112.2V280 M286 R287 A288V280-E284 HydrophobicContact CG1-CG 4.33Å; V280-E284 WeakPolarHBondContact O-CB 3.27Å; V280-E284 WeakPolarHBondContact O-CG 3.46Å; V280-E284 PolarHBondContact O-N 2.94Å; E284-M286 VanDerWaalsContact C-N 3.31Å; E284-M286 PolarHBondContact O-N 3.01Å; E284-R287 PolarHBondContact O-N 3.45Å; E284-A288 WeakPolarHBondContact O-CB 3.44Å; E284-A288 PolarHBondContact O-N 3.32Å
285V97.1Very high89.6Confident22 Ų2258 Ų5813%0.13328%0.284CS..Hα-helixtrans-68.7-32.7178.579.70000112.2A240 F241 T244 E281 L282 D289A240-V285 HydrophobicContact CB-CG2 4.35Å; F241-V285 VanDerWaalsContact CA-CG2 3.45Å; F241-V285 HydrophobicContact CB-CG2 3.82Å; F241-V285 HydrophobicContact CD2-CG1 4.2Å; F241-V285 HydrophobicContact CD2-CG2 4.26Å; F241-V285 HydrophobicContact CG-CG2 4.42Å; T244-V285 HydrophobicContact CG2-CG1 3.99Å; E281-V285 WeakPolarHBondContact O-CG1 3.32Å; E281-V285 PolarHBondContact O-N 3.01Å; E281-V285 VanDerWaalsContact O-N 3.11Å; L282-V285 WeakPolarHBondContact O-CG1 3.24Å; V285-D289 WeakPolarHBondContact O-CB 3.35Å; V285-D289 PolarHBondContact O-N 3.19Å
286M95.7Very high87.3Confident1 Ų164.2 Ų64.21%0.00531%0.312CS..Hα-helixtrans-71-36.3174-72.8-178.1179.200112.7V148 F192 H195 V222 F241 L245 L282 I283 E284 F290V148-M286 HydrophobicContact CG1-CE 4.11Å; V148-M286 HydrophobicContact CG1-SD 3.64Å; F192-M286 HydrophobicContact CB-CB 4.21Å; F192-M286 VanDerWaalsContact CD1-C 3.45Å; F192-M286 HydrophobicContact CD1-CB 3.72Å; F192-M286 WeakPolarHBondContact CD1-O 3.39Å; F192-M286 HydrophobicContact CD2-CB 3.66Å; F192-M286 HydrophobicContact CD2-CG 4.28Å; F192-M286 HydrophobicContact CD2-SD 3.74Å; F192-M286 HydrophobicContact CE1-CB 3.91Å; F192-M286 HydrophobicContact CE2-CB 3.83Å; F192-M286 HydrophobicContact CE2-SD 3.98Å; F192-M286 HydrophobicContact CG-CB 3.6Å; F192-M286 HydrophobicContact CG-SD 4.47Å; F192-M286 HydrophobicContact CZ-CB 3.96Å; H195-M286 HydrophobicContact CB-CE 4.15Å; H195-M286 HydrophobicContact CB-SD 3.72Å; V222-M286 HydrophobicContact CG2-CE 4.22Å; F241-M286 HydrophobicContact CE2-CB 4.28Å; F241-M286 HydrophobicContact CE2-CG 3.66Å; F241-M286 HydrophobicContact CZ-CE 4.45Å; F241-M286 HydrophobicContact CZ-CG 4.07Å; L245-M286 HydrophobicContact CD1-CE 4.08Å; L282-M286 HydrophobicContact CD1-CE 3.62Å; L282-M286 HydrophobicContact CD2-CE 4.39Å; L282-M286 HydrophobicContact CG-CE 3.9Å; L282-M286 HydrophobicContact CG-SD 4.33Å; L282-M286 WeakPolarHBondContact O-CB 3.33Å; L282-M286 VanDerWaalsContact O-CG 3.24Å; L282-M286 WeakPolarHBondContact O-CG 3.34Å; L282-M286 PolarHBondContact O-N 3.34Å; I283-M286 PolarHBondContact O-N 3.31Å; E284-M286 VanDerWaalsContact C-N 3.31Å; E284-M286 PolarHBondContact O-N 3.01Å; M286-F290 WeakPolarHBondContact O-CB 3.41Å; M286-F290 PolarHBondContact O-N 3.39Å
287R92.9Very high85.1Confident72 Ų7264.3 Ų64.327%0.27231%0.312SS..Hα-helixtrans-64.4-49.4173.9-176.6-178.3-61.4123.98.2110.8E190 F192 I283 E284 D289 F290 E291E190-R287 IonicContact OE1-CZ 3.29Å; E190-R287 IonicContact OE1-NE 3.64Å; E190-R287 PolarHBondContact OE1-NE 3.39Å; E190-R287 IonicContact OE1-NH2 2.95Å; E190-R287 PolarHBondContact OE1-NH2 2.71Å; E190-R287 IonicContact OE2-CZ 2.91Å; E190-R287 IonicContact OE2-NE 2.72Å; E190-R287 IonicContact OE2-NH2 3.02Å; E190-R287 PolarHBondContact OE2-NH2 2.83Å; F192-R287 HydrophobicContact CE1-CB 3.93Å; I283-R287 VanDerWaalsContact CG2-NH2 3.33Å; I283-R287 WeakPolarHBondContact O-CB 3.36Å; I283-R287 PolarHBondContact O-N 3.09Å; E284-R287 PolarHBondContact O-N 3.45Å; R287-D289 PolarHBondContact O-N 3.38Å; R287-F290 PolarHBondContact O-N 2.85Å; R287-F290 VanDerWaalsContact O-N 3.14Å; R287-E291 HydrophobicContact CG-CG 4.39Å; R287-E291 VanDerWaalsContact CG-OE1 3.31Å; R287-E291 WeakPolarHBondContact CG-OE1 3.37Å; R287-E291 WeakPolarHBondContact O-CB 3.43Å; R287-E291 WeakPolarHBondContact O-CG 3.4Å; R287-E291 PolarHBondContact O-N 3.23Å
288A91Very high83.6Confident38 Ų3862.2 Ų62.231%0.31430%0.304SS..Hα-helixtrans-58.7-45.7177.400000111.7E284 F290 E291 E292E284-A288 WeakPolarHBondContact O-CB 3.44Å; E284-A288 PolarHBondContact O-N 3.32Å; A288-F290 VanDerWaalsContact C-N 3.33Å; A288-F290 PolarHBondContact O-N 2.89Å; A288-E291 PolarHBondContact O-N 3.39Å; A288-E292 WeakPolarHBondContact O-CB 3.23Å; A288-E292 VanDerWaalsContact O-CG 3.32Å; A288-E292 WeakPolarHBondContact O-CG 3.39Å; A288-E292 PolarHBondContact O-N 3.28Å
289D89.9Confident83Confident3 Ų360.7 Ų60.72%0.01630%0.297CS..Hα-helixtrans-58.3-44.3174.1179.593.9000111.8R193 F241 V285 R287 H293R193-D289 IonicContact CZ-OD1 3.37Å; R193-D289 IonicContact CZ-OD2 2.87Å; R193-D289 IonicContact NE-OD1 3.24Å; R193-D289 IonicContact NE-OD2 3.17Å; R193-D289 PolarHBondContact NE-OD2 2.84Å; R193-D289 VanDerWaalsContact NH2-CG 3.34Å; R193-D289 IonicContact NH2-OD1 2.87Å; R193-D289 PolarHBondContact NH2-OD1 2.93Å; R193-D289 IonicContact NH2-OD2 3.29Å; R193-D289 PolarHBondContact NH2-OD2 2.73Å; F241-D289 HydrophobicContact CD2-CB 3.64Å; F241-D289 HydrophobicContact CE2-CB 3.84Å; V285-D289 WeakPolarHBondContact O-CB 3.35Å; V285-D289 PolarHBondContact O-N 3.19Å; R287-D289 PolarHBondContact O-N 3.38Å; D289-H293 WeakPolarHBondContact O-CB 3.43Å; D289-H293 PolarHBondContact O-CD2 3.17Å; D289-H293 PolarHBondContact O-N 3.19Å; D289-H293 IonicContact OD1-CD2 2.68Å; D289-H293 IonicContact OD1-NE2 3.29Å
290F85Confident82.6Confident60 Ų6061.2 Ų61.226%0.26330%0.3SS..Hα-helixtrans-66.2-39.1178.3-175.4-110.1000112.5H191 F192 R193 M286 R287 A288 H293 K294H191-F290 HydrophobicContact CB-CZ 4.49Å; F192-F290 HydrophobicContact CD1-CB 4.26Å; R193-F290 HydrophobicContact CB-CD2 4.33Å; M286-F290 WeakPolarHBondContact O-CB 3.41Å; M286-F290 PolarHBondContact O-N 3.39Å; R287-F290 PolarHBondContact O-N 2.85Å; R287-F290 VanDerWaalsContact O-N 3.14Å; A288-F290 VanDerWaalsContact C-N 3.33Å; A288-F290 PolarHBondContact O-N 2.89Å; F290-H293 CarbonylContact O-C 3.27Å; F290-H293 PolarHBondContact O-N 3.11Å; F290-K294 HydrophobicContact CE1-CD 4.35Å; F290-K294 HydrophobicContact CE1-CG 4.4Å; F290-K294 WeakPolarHBondContact O-CA 3.29Å; F290-K294 VanDerWaalsContact O-CB 3.26Å; F290-K294 WeakPolarHBondContact O-CB 3.49Å; F290-K294 PolarHBondContact O-N 2.98Å
291E80.3Confident82.2Confident113 Ų11361.5 Ų61.553%0.52830%0.303SS..Hα-helixtrans-68.2-44.5177.5-73.8171.1-179.900112R287 A288 H293 K294R287-E291 HydrophobicContact CG-CG 4.39Å; R287-E291 VanDerWaalsContact CG-OE1 3.31Å; R287-E291 WeakPolarHBondContact CG-OE1 3.37Å; R287-E291 WeakPolarHBondContact O-CB 3.43Å; R287-E291 WeakPolarHBondContact O-CG 3.4Å; R287-E291 PolarHBondContact O-N 3.23Å; A288-E291 PolarHBondContact O-N 3.39Å; E291-H293 VanDerWaalsContact C-N 3.25Å; E291-H293 PolarHBondContact O-N 2.82Å; E291-K294 VanDerWaalsContact O-CB 3.28Å; E291-K294 WeakPolarHBondContact O-CB 3.23Å; E291-K294 PolarHBondContact O-N 2.8Å
292E81.1Confident81.9Confident128 Ų12858.9 Ų58.960%0.59829%0.289SS*.Hα-helixtrans-61.6-34.1175.1-75.1175.8-173.800112.3A288A288-E292 WeakPolarHBondContact O-CB 3.23Å; A288-E292 VanDerWaalsContact O-CG 3.32Å; A288-E292 WeakPolarHBondContact O-CG 3.39Å; A288-E292 PolarHBondContact O-N 3.28Å
293H74.6Confident81.5Confident69 Ų6963.6 Ų63.632%0.31931%0.313SS..THydrogen-bonded Turntrans-100.38.3179-67.7-68.7000113.6R193 D289 F290 E291 D295R193-H293 PolarHBondContact NH1-CD2 3.02Å; R193-H293 PolarHBondContact NH1-NE2 3.3Å; R193-H293 PolarHBondContact NH2-CD2 3.37Å; R193-H293 VanDerWaalsContact NH2-CD2 3.35Å; R193-H293 PolarHBondContact NH2-NE2 3.34Å; D289-H293 WeakPolarHBondContact O-CB 3.43Å; D289-H293 PolarHBondContact O-CD2 3.17Å; D289-H293 PolarHBondContact O-N 3.19Å; D289-H293 IonicContact OD1-CD2 2.68Å; D289-H293 IonicContact OD1-NE2 3.29Å; F290-H293 CarbonylContact O-C 3.27Å; F290-H293 PolarHBondContact O-N 3.11Å; E291-H293 VanDerWaalsContact C-N 3.25Å; E291-H293 PolarHBondContact O-N 2.82Å; H293-D295 PolarHBondContact O-N 2.73Å; H293-D295 VanDerWaalsContact O-N 3.16Å
294K65.8Low81Confident128 Ų12865.4 Ų65.456%0.55733%0.333SS*.THydrogen-bonded Turntrans-68.9-11.5179.4-152.4173.1174.8-1730112.3F290 E291F290-K294 HydrophobicContact CE1-CD 4.35Å; F290-K294 HydrophobicContact CE1-CG 4.4Å; F290-K294 WeakPolarHBondContact O-CA 3.29Å; F290-K294 VanDerWaalsContact O-CB 3.26Å; F290-K294 WeakPolarHBondContact O-CB 3.49Å; F290-K294 PolarHBondContact O-N 2.98Å; E291-K294 VanDerWaalsContact O-CB 3.28Å; E291-K294 WeakPolarHBondContact O-CB 3.23Å; E291-K294 PolarHBondContact O-N 2.8Å
295D46.4Very low80.7Confident101 Ų10161 Ų6154%0.5432%0.317SS..THydrogen-bonded Turntrans-96.320.3-171.7-83-45.2000115.4H293 V297 R477H293-D295 PolarHBondContact O-N 2.73Å; H293-D295 VanDerWaalsContact O-N 3.16Å; D295-V297 PolarHBondContact O-N 3.32Å; D295-R477 IonicContact OD1-CZ 3.42Å; D295-R477 IonicContact OD1-NH1 3.9Å; D295-R477 PolarHBondContact OD1-NH1 3.06Å
296E49.6Very low80.7Confident177 Ų17762 Ų6283%0.82732%0.323SS*.  trans-79.667.4151.7-74.2-178.5-171.300108.3D298E296-D298 PolarHBondContact O-N 3.16Å
297V52.9Low80.7Confident32 Ų3262.2 Ų62.219%0.19432%0.324CS..  trans-53.8125.7158.2-172.80000105D295 C299 W432 P435D295-V297 PolarHBondContact O-N 3.32Å; V297-C299 HydrophobicContact CB-CB 4.47Å; V297-C299 HydrophobicContact CG1-CB 3.45Å; V297-C299 VanDerWaalsContact CG1-CB 3.45Å; V297-C299 PolarHBondContact O-N 2.8Å; V297-W432 HydrophobicContact CG1-CH2 3.43Å; V297-W432 VanDerWaalsContact CG1-CH2 3.43Å; V297-W432 HydrophobicContact CG1-CZ2 3.59Å; V297-P435 HydrophobicContact CG1-CG 4.07Å
298D67.3Low80.8Confident77 Ų7764.1 Ų64.141%0.41234%0.339SS..SBendtrans-65.120.7170.7-75.5-40.4000112.2E296 L391 S500 F501E296-D298 PolarHBondContact O-N 3.16Å; D298-L391 HydrophobicContact CB-CD1 3.42Å; D298-L391 VanDerWaalsContact CB-CD1 3.42Å; D298-S500 CarbonylContact O-C 3.1Å; D298-S500 WeakPolarHBondContact O-CA 3.4Å; D298-F501 PolarHBondContact O-N 3.01Å
299C83.7Confident80.9Confident9 Ų967 Ų676%0.06136%0.355CS..BIsolated β-bridgetrans-124.3135177.8-169.90000110V297 W432 A499 S500V297-C299 HydrophobicContact CB-CB 4.47Å; V297-C299 HydrophobicContact CG1-CB 3.45Å; V297-C299 VanDerWaalsContact CG1-CB 3.45Å; V297-C299 PolarHBondContact O-N 2.8Å; C299-W432 HydrophobicContact CB-CH2 4.24Å; C299-A499 CarbonylContact C-O 3.58Å; C299-A499 WeakPolarHBondContact CA-O 3.49Å; C299-A499 PolarHBondContact SG-O 2.84Å; C299-S500 WeakPolarHBondContact CB-OG 3.38Å; C299-S500 PolarHBondContact SG-OG 3.08Å
300S90.6Very high81.1Confident10 Ų1069.9 Ų69.97%0.0737%0.374CS..  trans-62.2149.4170.167.80000111.7L316 M498 A499S300-L316 WeakPolarHBondContact OG-CD1 3.5Å; S300-M498 WeakPolarHBondContact O-CB 3.43Å; S300-M498 WeakPolarHBondContact O-CG 3.4Å; S300-M498 WeakPolarHBondContact OG-CA 3.39Å; S300-A499 PolarHBondContact N-O 3.49Å; S300-A499 PolarHBondContact OG-N 3.32Å; S300-A499 PolarHBondContact OG-O 3.29Å
301T90.2Very high81.6Confident44 Ų4468.2 Ų68.227%0.2737%0.366SS..  trans-94.7178.5166.568.50000110.8I303 T485 F486T301-I303 PolarHBondContact O-N 3.18Å; T301-I303 PolarHBondContact OG1-N 3.19Å; T301-T485 WeakPolarHBondContact CA-O 3.43Å; T301-T485 WeakPolarHBondContact CB-O 3.42Å; T301-T485 HydrophobicContact CG2-CG2 3.63Å; T301-F486 HydrophobicContact CG2-CE1 4.18Å
302R92.2Very high82Confident37 Ų3765.7 Ų65.714%0.1436%0.356CS..SBendtrans-77.90.5171.574.7-176.6-68.2-162.9-5.1113.8D312 S313 L314 N483 E484 T485 F487R302-D312 VanDerWaalsContact CZ-O 3.24Å; R302-D312 PolarHBondContact NE-O 3.15Å; R302-D312 PolarHBondContact NH2-O 3.49Å; R302-D312 IonicContact NH2-OD1 3.15Å; R302-D312 IonicContact NH2-OD2 3.84Å; R302-D312 PolarHBondContact NH2-OD2 3.09Å; R302-D312 VanDerWaalsContact NH2-OD2 3.12Å; R302-S313 WeakPolarHBondContact O-CA 3.41Å; R302-S313 PolarHBondContact O-N 3.07Å; R302-S313 PolarHBondContact O-OG 3.35Å; R302-L314 PolarHBondContact O-N 3.39Å; R302-N483 VanDerWaalsContact CD-O 3.26Å; R302-N483 WeakPolarHBondContact CD-O 3.19Å; R302-N483 PolarHBondContact NH1-O 3.25Å; R302-E484 WeakPolarHBondContact CG-O 3.41Å; R302-T485 WeakPolarHBondContact CG-O 3.36Å; R302-T485 PolarHBondContact N-O 3.3Å; R302-F487 HydrophobicContact CB-CD1 4.16Å; R302-F487 HydrophobicContact CB-CD2 3.88Å; R302-F487 HydrophobicContact CB-CE1 3.83Å; R302-F487 HydrophobicContact CB-CE2 3.53Å; R302-F487 HydrophobicContact CB-CG 4.19Å; R302-F487 HydrophobicContact CB-CZ 3.51Å
303I89.7Confident82.4Confident100 Ų10061 Ų6151%0.51334%0.338SS..  trans-92.8142-168.8-57.2172.8000110.7T301 S313T301-I303 PolarHBondContact O-N 3.18Å; T301-I303 PolarHBondContact OG1-N 3.19Å; I303-S313 WeakPolarHBondContact CA-OG 3.29Å
304G87.5Confident83.4Confident45 Ų4558.3 Ų58.346%0.46433%0.326SS..SBendtrans93.98169.300000116.2S313 R333G304-S313 PolarHBondContact N-OG 3.35Å; G304-R333 PolarHBondContact O-NH1 2.91Å
305G91.7Very high84.8Confident16 Ų1652.2 Ų52.217%0.16530%0.299CS..  trans-97.8-172179.700000115.1S313 N330G305-S313 CarbonylContact C-O 3.56Å; G305-S313 VanDerWaalsContact C-O 3.22Å; G305-S313 VanDerWaalsContact CA-C 3.44Å; G305-S313 WeakPolarHBondContact CA-O 3.33Å; G305-S313 PolarHBondContact N-OG 3.44Å; G305-N330 WeakPolarHBondContact CA-OD1 3.29Å
306V96.2Very high87.1Confident41 Ų4147.4 Ų47.425%0.24827%0.273CS..  trans-116.6-5.1-177.1-58.90000113.9S313 H326 E329 N330V306-S313 PolarHBondContact N-O 3.17Å; V306-S313 VanDerWaalsContact N-O 3.13Å; V306-H326 HydrophobicContact CG2-CB 3.94Å; V306-E329 HydrophobicContact CG1-CG 4.01Å; V306-E329 HydrophobicContact CG2-CB 3.92Å; V306-E329 HydrophobicContact CG2-CG 3.74Å; V306-N330 WeakPolarHBondContact CG2-OD1 3.34Å; V306-N330 PolarHBondContact N-OD1 3.47Å
307S96.2Very high89.2Confident6 Ų639 Ų394%0.04223%0.234CC..PPolyproline II helixtrans-63.1143.3-179.8-66.20000110.6Y311 D312 S313 D322 N330S307-Y311 VanDerWaalsContact CB-O 3.32Å; S307-Y311 WeakPolarHBondContact CB-O 3.47Å; S307-D312 WeakPolarHBondContact O-CA 3.37Å; S307-S313 VanDerWaalsContact CB-O 3.28Å; S307-S313 WeakPolarHBondContact CB-O 3.25Å; S307-S313 PolarHBondContact N-O 2.8Å; S307-D322 VanDerWaalsContact CB-OD2 3.24Å; S307-D322 WeakPolarHBondContact CB-OD2 3.25Å; S307-D322 PolarHBondContact OG-OD2 2.88Å; S307-N330 PolarHBondContact OG-ND2 3.18Å
308L95.7Very high91Very high112 Ų11240.6 Ų40.659%0.58625%0.25SS*.PPolyproline II helixtrans-91.6161.5178.6-62.4178.3000110.2Y311 D312L308-Y311 WeakPolarHBondContact O-CA 3.48Å; L308-Y311 PolarHBondContact O-N 2.9Å; L308-D312 PolarHBondContact O-N 2.79Å
309P92.8Very high92Very high100 Ų10042.6 Ų42.665%0.64926%0.257SS*.THydrogen-bonded Turntrans-50.8137172.4-27.835.2000112D312P309-D312 WeakPolarHBondContact CA-OD1 3.38Å; P309-D312 HydrophobicContact CG-CB 4.29Å
310P93.1Very high92.3Very high63 Ų6343.3 Ų43.341%0.40926%0.262SS..THydrogen-bonded Turncis-90.112.59.837.4-38.2000115.5T494P310-T494 HydrophobicContact CG-CG2 3.59Å
311Y95.4Very high92.4Very high25 Ų2545.8 Ų45.810%0.09829%0.289CS..SBendtrans-102.912.4-174.7-49.4-70.5000113.6S307 L308 S313 C320 G321 D322 F487 T494S307-Y311 VanDerWaalsContact CB-O 3.32Å; S307-Y311 WeakPolarHBondContact CB-O 3.47Å; L308-Y311 WeakPolarHBondContact O-CA 3.48Å; L308-Y311 PolarHBondContact O-N 2.9Å; Y311-S313 PolarHBondContact O-N 3.45Å; Y311-C320 HydrophobicContact CD1-CB 4.44Å; Y311-C320 HydrophobicContact CE1-CB 3.95Å; Y311-C320 PolarHBondContact OH-O 3.34Å; Y311-G321 VanDerWaalsContact OH-C 3.3Å; Y311-G321 PolarHBondContact OH-O 2.81Å; Y311-D322 HydrophobicContact CD1-CB 4.2Å; Y311-D322 HydrophobicContact CD2-CB 3.5Å; Y311-D322 VanDerWaalsContact CD2-CB 3.5Å; Y311-D322 VanDerWaalsContact CD2-CG 3.42Å; Y311-D322 WeakPolarHBondContact CD2-OD1 3.45Å; Y311-D322 HydrophobicContact CE1-CB 4.43Å; Y311-D322 VanDerWaalsContact CE2-CA 3.44Å; Y311-D322 HydrophobicContact CE2-CB 3.75Å; Y311-D322 HydrophobicContact CG-CB 3.74Å; Y311-F487 WeakPolarHBondContact O-CZ 3.2Å; Y311-T494 HydrophobicContact CE1-CG2 3.87Å; Y311-T494 WeakPolarHBondContact OH-CG2 3.38Å
312D89.6Confident92.7Very high60 Ų6044.4 Ų44.432%0.32128%0.28SS..  trans-64.6130.8-172.555.3-70.1000112R302 S307 L308 P309 F487R302-D312 VanDerWaalsContact CZ-O 3.24Å; R302-D312 PolarHBondContact NE-O 3.15Å; R302-D312 PolarHBondContact NH2-O 3.49Å; R302-D312 IonicContact NH2-OD1 3.15Å; R302-D312 IonicContact NH2-OD2 3.84Å; R302-D312 PolarHBondContact NH2-OD2 3.09Å; R302-D312 VanDerWaalsContact NH2-OD2 3.12Å; S307-D312 WeakPolarHBondContact O-CA 3.37Å; L308-D312 PolarHBondContact O-N 2.79Å; P309-D312 WeakPolarHBondContact CA-OD1 3.38Å; P309-D312 HydrophobicContact CG-CB 4.29Å; D312-F487 WeakPolarHBondContact O-CE1 3.44Å
313S90.1Very high92.8Very high30 Ų3046 Ų4621%0.2129%0.291CS..SBendcis-115.3-43.1272.20000113.5R302 I303 G304 G305 V306 S307 Y311 N315 N330R302-S313 WeakPolarHBondContact O-CA 3.41Å; R302-S313 PolarHBondContact O-N 3.07Å; R302-S313 PolarHBondContact O-OG 3.35Å; I303-S313 WeakPolarHBondContact CA-OG 3.29Å; G304-S313 PolarHBondContact N-OG 3.35Å; G305-S313 CarbonylContact C-O 3.56Å; G305-S313 VanDerWaalsContact C-O 3.22Å; G305-S313 VanDerWaalsContact CA-C 3.44Å; G305-S313 WeakPolarHBondContact CA-O 3.33Å; G305-S313 PolarHBondContact N-OG 3.44Å; V306-S313 PolarHBondContact N-O 3.17Å; V306-S313 VanDerWaalsContact N-O 3.13Å; S307-S313 VanDerWaalsContact CB-O 3.28Å; S307-S313 WeakPolarHBondContact CB-O 3.25Å; S307-S313 PolarHBondContact N-O 2.8Å; Y311-S313 PolarHBondContact O-N 3.45Å; S313-N315 PolarHBondContact O-N 2.73Å; S313-N330 PolarHBondContact O-ND2 3.24Å
314L94.8Very high93.1Very high12 Ų1245.9 Ų45.96%0.06330%0.297CS..  trans-101.161-173.1-165.777.5000112.4R302 L316 N330 R333 L334R302-L314 PolarHBondContact O-N 3.39Å; L314-L316 HydrophobicContact CG-CD2 4.44Å; L314-L316 PolarHBondContact O-N 3.15Å; L314-N330 HydrophobicContact CD1-CB 3.74Å; L314-N330 HydrophobicContact CG-CB 4.35Å; L314-R333 HydrophobicContact CD1-CB 4.39Å; L314-L334 HydrophobicContact CD2-CD1 4.34Å
315N96Very high93.5Very high0 Ų049.7 Ų49.70%031%0.306CS..  trans-74.2125.4173.8174.340.1000111.6S313 G317 D322 N330 F487 G496 R497S313-N315 PolarHBondContact O-N 2.73Å; N315-G317 PolarHBondContact ND2-O 3.32Å; N315-G317 PolarHBondContact OD1-N 3.26Å; N315-D322 VanDerWaalsContact ND2-CB 3.26Å; N315-D322 WeakPolarHBondContact ND2-CB 3.48Å; N315-D322 PolarHBondContact ND2-OD2 3.4Å; N315-N330 PolarHBondContact N-ND2 3.18Å; N315-N330 VanDerWaalsContact N-ND2 3.15Å; N315-N330 WeakPolarHBondContact O-CB 3.39Å; N315-N330 PolarHBondContact O-ND2 3.23Å; N315-F487 HydrophobicContact CB-CE2 4.4Å; N315-F487 HydrophobicContact CB-CZ 4.1Å; N315-G496 WeakPolarHBondContact OD1-CA 3.47Å; N315-R497 PolarHBondContact OD1-N 2.94Å
316L94.7Very high93.8Very high0 Ų051.1 Ų51.10%031%0.309CS..  trans-101.8-7.7178.2-57.9173.9000113.3S300 L314 N330 R331 L334 R497 A499S300-L316 WeakPolarHBondContact OG-CD1 3.5Å; L314-L316 HydrophobicContact CG-CD2 4.44Å; L314-L316 PolarHBondContact O-N 3.15Å; L316-N330 HydrophobicContact CD2-CB 4.1Å; L316-R331 HydrophobicContact CD2-CG 3.93Å; L316-R331 PolarHBondContact O-NE 3.36Å; L316-R331 PolarHBondContact O-NH2 2.94Å; L316-L334 HydrophobicContact CD1-CD2 3.4Å; L316-L334 VanDerWaalsContact CD1-CD2 3.4Å; L316-L334 HydrophobicContact CD2-CB 4.25Å; L316-L334 HydrophobicContact CD2-CD2 3.92Å; L316-L334 HydrophobicContact CG-CD2 4.32Å; L316-R497 PolarHBondContact N-O 3.13Å; L316-R497 VanDerWaalsContact N-O 3.12Å; L316-A499 HydrophobicContact CD1-CB 3.58Å
317G93.2Very high93.8Very high0 Ų049.3 Ų49.30%030%0.298CS..  trans-88.8106-174.900000113.3N315 H319N315-G317 PolarHBondContact ND2-O 3.32Å; N315-G317 PolarHBondContact OD1-N 3.26Å; G317-H319 PolarHBondContact O-N 2.77Å
318A90.2Very high93.7Very high65 Ų6552.9 Ų52.954%0.53731%0.314SS..THydrogen-bonded Turntrans-70.6-15.917600000114.1V327A318-V327 HydrophobicContact CB-CG1 4.16Å
319H89.2Confident93.7Very high120 Ų12050.9 Ų50.956%0.55630%0.301SS*.THydrogen-bonded Turntrans-92.22.5-177.262.1-92.5000113.7G317G317-H319 PolarHBondContact O-N 2.77Å
320C89.7Confident93.8Very high24 Ų2446.1 Ų46.116%0.16227%0.27CS..SBendtrans-89.4-10.7-174-61.30000113.9Y311Y311-C320 HydrophobicContact CD1-CB 4.44Å; Y311-C320 HydrophobicContact CE1-CB 3.95Å; Y311-C320 PolarHBondContact OH-O 3.34Å
321G92.6Very high93.8Very high61 Ų6145.4 Ų45.463%0.62926%0.26SS*.SBendtrans9214.2-174.600000114.6Y311Y311-G321 VanDerWaalsContact OH-C 3.3Å; Y311-G321 PolarHBondContact OH-O 2.81Å
322D95.5Very high93.5Very high16 Ų1649.7 Ų49.79%0.08628%0.279CS..  trans-75163.5171-166.16.1000111.3S307 Y311 N315 P324 V327S307-D322 VanDerWaalsContact CB-OD2 3.24Å; S307-D322 WeakPolarHBondContact CB-OD2 3.25Å; S307-D322 PolarHBondContact OG-OD2 2.88Å; Y311-D322 HydrophobicContact CD1-CB 4.2Å; Y311-D322 HydrophobicContact CD2-CB 3.5Å; Y311-D322 VanDerWaalsContact CD2-CB 3.5Å; Y311-D322 VanDerWaalsContact CD2-CG 3.42Å; Y311-D322 WeakPolarHBondContact CD2-OD1 3.45Å; Y311-D322 HydrophobicContact CE1-CB 4.43Å; Y311-D322 VanDerWaalsContact CE2-CA 3.44Å; Y311-D322 HydrophobicContact CE2-CB 3.75Å; Y311-D322 HydrophobicContact CG-CB 3.74Å; N315-D322 VanDerWaalsContact ND2-CB 3.26Å; N315-D322 WeakPolarHBondContact ND2-CB 3.48Å; N315-D322 PolarHBondContact ND2-OD2 3.4Å; D322-P324 WeakPolarHBondContact O-CD 3.32Å; D322-V327 HydrophobicContact CB-CG2 3.83Å
323N95.9Very high93.6Very high70 Ų7051.8 Ų51.837%0.37428%0.282SS..  trans-61.7121.7174-177.1-22.6000109.7D325 H326 V327N323-D325 PolarHBondContact O-N 3.29Å; N323-D325 PolarHBondContact OD1-N 3.49Å; N323-H326 HydrophobicContact CB-CB 4.2Å; N323-H326 WeakPolarHBondContact O-CB 3.43Å; N323-H326 PolarHBondContact O-N 3.01Å; N323-V327 PolarHBondContact O-N 3.44Å; N323-V327 VanDerWaalsContact O-N 3.1Å
324P95.5Very high93.5Very high98 Ų9851.6 Ų51.664%0.63628%0.279SS*.Hα-helixtrans-53.9-35.6179.4-27.435.5000114.3D322 V327 E328D322-P324 WeakPolarHBondContact O-CD 3.32Å; P324-V327 PolarHBondContact O-N 2.97Å; P324-E328 WeakPolarHBondContact O-CB 3.38Å; P324-E328 PolarHBondContact O-N 3.36Å
325D96.8Very high92.9Very high124 Ų12455 Ų5566%0.66329%0.293SS*.Hα-helixtrans-68.9-37.2179.6-66.6-31.2000111.6N323 E329N323-D325 PolarHBondContact O-N 3.29Å; N323-D325 PolarHBondContact OD1-N 3.49Å; D325-E329 WeakPolarHBondContact O-CB 3.25Å; D325-E329 PolarHBondContact O-N 2.9Å
326H97.3Very high92.1Very high47 Ų4758.7 Ų58.722%0.21832%0.324CS..Hα-helixtrans-66.9-42.8174.5-66.5173.1000111.3V306 N323 E329 N330V306-H326 HydrophobicContact CG2-CB 3.94Å; N323-H326 HydrophobicContact CB-CB 4.2Å; N323-H326 WeakPolarHBondContact O-CB 3.43Å; N323-H326 PolarHBondContact O-N 3.01Å; H326-E329 PolarHBondContact O-N 2.7Å; H326-N330 WeakPolarHBondContact O-CB 3.41Å; H326-N330 PolarHBondContact O-N 3.29Å; H326-N330 PolarHBondContact O-ND2 3.46Å
327V96Very high91.2Very high2 Ų262.8 Ų62.81%0.01236%0.358CS..Hα-helixtrans-63.6-42.4178177.70000111.1A318 D322 N323 P324 N330 R331A318-V327 HydrophobicContact CB-CG1 4.16Å; D322-V327 HydrophobicContact CB-CG2 3.83Å; N323-V327 PolarHBondContact O-N 3.44Å; N323-V327 VanDerWaalsContact O-N 3.1Å; P324-V327 PolarHBondContact O-N 2.97Å; V327-N330 PolarHBondContact O-N 3.36Å; V327-R331 WeakPolarHBondContact O-CB 3.43Å; V327-R331 VanDerWaalsContact O-CG 3.29Å; V327-R331 WeakPolarHBondContact O-CG 3.24Å; V327-R331 PolarHBondContact O-N 3.36Å
328E94.4Very high90.3Very high82 Ų8264.3 Ų64.338%0.38337%0.373SS..Hα-helixtrans-66-40.9177.1-177.458.2-158.800111.8P324 R331 K332P324-E328 WeakPolarHBondContact O-CB 3.38Å; P324-E328 PolarHBondContact O-N 3.36Å; E328-R331 PolarHBondContact O-N 3Å; E328-K332 WeakPolarHBondContact O-CG 3.32Å; E328-K332 PolarHBondContact O-N 3.24Å
329E95.7Very high89.7Confident69 Ų6968.2 Ų68.232%0.32239%0.385SS..Hα-helixtrans-63.2-44173.5175.756.1-162.300112.1V306 D325 H326 R331 K332 R333V306-E329 HydrophobicContact CG1-CG 4.01Å; V306-E329 HydrophobicContact CG2-CB 3.92Å; V306-E329 HydrophobicContact CG2-CG 3.74Å; D325-E329 WeakPolarHBondContact O-CB 3.25Å; D325-E329 PolarHBondContact O-N 2.9Å; H326-E329 PolarHBondContact O-N 2.7Å; E329-R331 VanDerWaalsContact C-N 3.31Å; E329-R331 PolarHBondContact O-N 2.84Å; E329-K332 WeakPolarHBondContact O-CB 3.46Å; E329-K332 PolarHBondContact O-N 3.23Å; E329-K332 VanDerWaalsContact O-N 3.15Å; E329-R333 WeakPolarHBondContact O-CG 3.36Å; E329-R333 PolarHBondContact O-N 2.97Å; E329-R333 IonicContact OE1-CZ 2.78Å; E329-R333 IonicContact OE1-NE 3.85Å; E329-R333 PolarHBondContact OE1-NE 2.94Å; E329-R333 IonicContact OE1-NH2 2.71Å
330N94.9Very high89.3Confident0 Ų063.1 Ų63.10%036%0.362CS..Hα-helixtrans-60-41.4175-71.4-22.1000112.1G305 V306 S307 S313 L314 N315 L316 H326 V327 K332 R333 L334G305-N330 WeakPolarHBondContact CA-OD1 3.29Å; V306-N330 WeakPolarHBondContact CG2-OD1 3.34Å; V306-N330 PolarHBondContact N-OD1 3.47Å; S307-N330 PolarHBondContact OG-ND2 3.18Å; S313-N330 PolarHBondContact O-ND2 3.24Å; L314-N330 HydrophobicContact CD1-CB 3.74Å; L314-N330 HydrophobicContact CG-CB 4.35Å; N315-N330 PolarHBondContact N-ND2 3.18Å; N315-N330 VanDerWaalsContact N-ND2 3.15Å; N315-N330 WeakPolarHBondContact O-CB 3.39Å; N315-N330 PolarHBondContact O-ND2 3.23Å; L316-N330 HydrophobicContact CD2-CB 4.1Å; H326-N330 WeakPolarHBondContact O-CB 3.41Å; H326-N330 PolarHBondContact O-N 3.29Å; H326-N330 PolarHBondContact O-ND2 3.46Å; V327-N330 PolarHBondContact O-N 3.36Å; N330-K332 VanDerWaalsContact C-N 3.34Å; N330-K332 PolarHBondContact O-N 3.02Å; N330-R333 PolarHBondContact O-N 3.33Å; N330-L334 WeakPolarHBondContact O-CB 3.3Å; N330-L334 PolarHBondContact O-N 3.34Å
331R92.9Very high89Confident49 Ų4965.1 Ų65.119%0.18538%0.375CS..Hα-helixtrans-63.7-38.5175.3-74.5171.8175.1-159.4-6.8112.1L316 V327 E328 E329 F335 W346L316-R331 HydrophobicContact CD2-CG 3.93Å; L316-R331 PolarHBondContact O-NE 3.36Å; L316-R331 PolarHBondContact O-NH2 2.94Å; V327-R331 WeakPolarHBondContact O-CB 3.43Å; V327-R331 VanDerWaalsContact O-CG 3.29Å; V327-R331 WeakPolarHBondContact O-CG 3.24Å; V327-R331 PolarHBondContact O-N 3.36Å; E328-R331 PolarHBondContact O-N 3Å; E329-R331 VanDerWaalsContact C-N 3.31Å; E329-R331 PolarHBondContact O-N 2.84Å; R331-F335 WeakPolarHBondContact O-CB 3.27Å; R331-F335 PolarHBondContact O-N 3.46Å; R331-W346 HydrophobicContact CG-CZ2 4.28Å
332K89.6Confident88.7Confident115 Ų11564.1 Ų64.150%0.536%0.358SS..Hα-helixtrans-64.3-44.6173.6-72.2170.5-173.9165.30111.9E328 E329 N330 L334 F335 A336E328-K332 WeakPolarHBondContact O-CG 3.32Å; E328-K332 PolarHBondContact O-N 3.24Å; E329-K332 WeakPolarHBondContact O-CB 3.46Å; E329-K332 PolarHBondContact O-N 3.23Å; E329-K332 VanDerWaalsContact O-N 3.15Å; N330-K332 VanDerWaalsContact C-N 3.34Å; N330-K332 PolarHBondContact O-N 3.02Å; K332-L334 VanDerWaalsContact C-N 3.35Å; K332-L334 PolarHBondContact O-N 3.25Å; K332-F335 PolarHBondContact O-N 3.31Å; K332-A336 WeakPolarHBondContact O-CB 3.45Å; K332-A336 PolarHBondContact O-N 3.47Å
333R90Very high88.4Confident104 Ų10471.1 Ų71.139%0.39239%0.388SS..Hα-helixtrans-59-46.9176.2-71.9176.3176-145.1-2.6111.7G304 L314 E329 N330 F335 A336 A337G304-R333 PolarHBondContact O-NH1 2.91Å; L314-R333 HydrophobicContact CD1-CB 4.39Å; E329-R333 WeakPolarHBondContact O-CG 3.36Å; E329-R333 PolarHBondContact O-N 2.97Å; E329-R333 IonicContact OE1-CZ 2.78Å; E329-R333 IonicContact OE1-NE 3.85Å; E329-R333 PolarHBondContact OE1-NE 2.94Å; E329-R333 IonicContact OE1-NH2 2.71Å; N330-R333 PolarHBondContact O-N 3.33Å; R333-F335 VanDerWaalsContact C-N 3.35Å; R333-F335 PolarHBondContact O-N 2.94Å; R333-A336 PolarHBondContact O-N 3.5Å; R333-A337 WeakPolarHBondContact O-CB 3.45Å; R333-A337 PolarHBondContact O-N 2.96Å
334L88.2Confident88.1Confident25 Ų2568.6 Ų68.613%0.13138%0.375CS..Hα-helixtrans-60.6-45176.1-174.375.1000111.6L314 L316 N330 K332 A336 A337 G338 F501L314-L334 HydrophobicContact CD2-CD1 4.34Å; L316-L334 HydrophobicContact CD1-CD2 3.4Å; L316-L334 VanDerWaalsContact CD1-CD2 3.4Å; L316-L334 HydrophobicContact CD2-CB 4.25Å; L316-L334 HydrophobicContact CD2-CD2 3.92Å; L316-L334 HydrophobicContact CG-CD2 4.32Å; N330-L334 WeakPolarHBondContact O-CB 3.3Å; N330-L334 PolarHBondContact O-N 3.34Å; K332-L334 VanDerWaalsContact C-N 3.35Å; K332-L334 PolarHBondContact O-N 3.25Å; L334-A336 VanDerWaalsContact C-N 3.34Å; L334-A336 PolarHBondContact O-N 2.99Å; L334-A337 PolarHBondContact O-N 3.01Å; L334-G338 PolarHBondContact O-N 3.47Å; L334-F501 HydrophobicContact CD1-CE2 4.43Å; L334-F501 HydrophobicContact CD2-CE1 4.28Å; L334-F501 HydrophobicContact CD2-CE2 3.65Å; L334-F501 HydrophobicContact CD2-CZ 3.26Å; L334-F501 HydrophobicContact CG-CE2 4.39Å; L334-F501 HydrophobicContact CG-CZ 4.38Å
335F83.2Confident87.8Confident84 Ų8465 Ų6537%0.36835%0.352SS..Hα-helixtrans-61.7-42.5178.8-174.2-99.8000112.1R331 K332 R333 A337 L340R331-F335 WeakPolarHBondContact O-CB 3.27Å; R331-F335 PolarHBondContact O-N 3.46Å; K332-F335 PolarHBondContact O-N 3.31Å; R333-F335 VanDerWaalsContact C-N 3.35Å; R333-F335 PolarHBondContact O-N 2.94Å; F335-A337 VanDerWaalsContact C-N 3.32Å; F335-A337 PolarHBondContact O-N 2.99Å; F335-L340 HydrophobicContact CD2-CB 3.9Å; F335-L340 HydrophobicContact CD2-CD1 4.08Å; F335-L340 HydrophobicContact CE2-CB 3.77Å; F335-L340 WeakPolarHBondContact CE2-O 3.47Å; F335-L340 WeakPolarHBondContact CZ-O 3.34Å
336A78.6Confident87.6Confident78 Ų7861.5 Ų61.565%0.64533%0.329SS*.Hα-helixtrans-66-33.6176.800000112.9K332 R333 L334K332-A336 WeakPolarHBondContact O-CB 3.45Å; K332-A336 PolarHBondContact O-N 3.47Å; R333-A336 PolarHBondContact O-N 3.5Å; L334-A336 VanDerWaalsContact C-N 3.34Å; L334-A336 PolarHBondContact O-N 2.99Å
337A76.7Confident87.5Confident86 Ų8659.7 Ų59.771%0.71132%0.321SS*.Hα-helixtrans-81-38.117900000113.2R333 L334 F335 N339R333-A337 WeakPolarHBondContact O-CB 3.45Å; R333-A337 PolarHBondContact O-N 2.96Å; L334-A337 PolarHBondContact O-N 3.01Å; F335-A337 VanDerWaalsContact C-N 3.32Å; F335-A337 PolarHBondContact O-N 2.99Å; A337-N339 PolarHBondContact O-N 3.48Å
338G73.7Confident87.5Confident32 Ų3265.4 Ų65.433%0.3335%0.347SS..Hα-helixtrans-85.7-1.5-169.800000115.8L334 L340L334-G338 PolarHBondContact O-N 3.47Å; G338-L340 PolarHBondContact O-N 3.39Å
339N76.9Confident87.5Confident146 Ų14663.4 Ų63.478%0.78134%0.338SS*.THydrogen-bonded Turntrans4735.1-177.9-94-7.6000113.7A337A337-N339 PolarHBondContact O-N 3.48Å
340L81.5Confident87.5Confident13 Ų1363 Ų637%0.06834%0.34CS..  trans-65.2134.9-177-67.3118.6000109.9F335 G338 S342 V379 F501 W503F335-L340 HydrophobicContact CD2-CB 3.9Å; F335-L340 HydrophobicContact CD2-CD1 4.08Å; F335-L340 HydrophobicContact CE2-CB 3.77Å; F335-L340 WeakPolarHBondContact CE2-O 3.47Å; F335-L340 WeakPolarHBondContact CZ-O 3.34Å; G338-L340 PolarHBondContact O-N 3.39Å; L340-S342 PolarHBondContact O-N 2.66Å; L340-V379 HydrophobicContact CB-CG2 4.33Å; L340-V379 HydrophobicContact CD2-CB 4.3Å; L340-V379 HydrophobicContact CD2-CG1 3.54Å; L340-V379 HydrophobicContact CD2-CG2 3.88Å; L340-F501 HydrophobicContact CD2-CB 4.27Å; L340-F501 HydrophobicContact CD2-CD1 4.08Å; L340-F501 HydrophobicContact CD2-CG 4.15Å; L340-W503 HydrophobicContact CD2-CE3 4.29Å; L340-W503 HydrophobicContact CD2-CZ3 4.04Å; L340-W503 HydrophobicContact CG-CZ3 4.45Å
341P82.4Confident87.5Confident67 Ų6766.4 Ų66.444%0.43536%0.356SS..SBendtrans-68.7-23.9-177.626.7-35.6000113G377 V379 W503P341-G377 WeakPolarHBondContact CG-O 3.48Å; P341-V379 HydrophobicContact CG-CG2 3.93Å; P341-W503 HydrophobicContact CG-CB 4.38Å; P341-W503 HydrophobicContact CG-CD2 4.41Å; P341-W503 HydrophobicContact CG-CG 3.87Å
342S87.3Confident87.6Confident40 Ų4065.1 Ų65.128%0.2836%0.358SS..SBendtrans-150.3168.717765.70000110.8L340 G377L340-S342 PolarHBondContact O-N 2.66Å; S342-G377 WeakPolarHBondContact CB-O 3.35Å; S342-G377 PolarHBondContact OG-O 2.96Å
343K88.5Confident88Confident162 Ų16263.7 Ų63.770%0.70435%0.352SS*.  trans-67.6130.8172.2-68.8-173.6179.4-173.80109.2
344P90Very high88.4Confident18 Ų1863.3 Ų63.312%0.11736%0.357CS..  trans-62.9147.717724.4-33.2000112.1W346 V379 A381 F501P344-W346 HydrophobicContact CB-CZ2 4.47Å; P344-W346 HydrophobicContact CG-CD2 4.4Å; P344-W346 HydrophobicContact CG-CH2 3.99Å; P344-W346 HydrophobicContact CG-CZ2 3.48Å; P344-W346 VanDerWaalsContact CG-CZ2 3.48Å; P344-W346 PolarHBondContact O-N 3.38Å; P344-V379 HydrophobicContact CB-CB 4.23Å; P344-V379 HydrophobicContact CB-CG1 3.88Å; P344-A381 HydrophobicContact CB-CB 3.63Å; P344-F501 HydrophobicContact CB-CD1 4.32Å; P344-F501 HydrophobicContact CB-CE1 4.28Å; P344-F501 HydrophobicContact CG-CE1 4.09Å
345V89.8Confident88.9Confident23 Ų2363.5 Ų63.514%0.13936%0.359CS..  trans-82.599.8170.8-178.60000108.6L347 L356 L358 Y363 K366V345-L347 PolarHBondContact O-N 2.92Å; V345-L356 HydrophobicContact CG1-CD2 4.26Å; V345-L358 HydrophobicContact CB-CD1 4.16Å; V345-L358 HydrophobicContact CB-CD2 3.9Å; V345-L358 HydrophobicContact CG1-CD2 3.92Å; V345-L358 HydrophobicContact CG2-CD1 4.18Å; V345-L358 HydrophobicContact CG2-CD2 4.02Å; V345-Y363 HydrophobicContact CG1-CD2 4.3Å; V345-Y363 HydrophobicContact CG1-CE2 4.03Å; V345-Y363 HydrophobicContact CG2-CE2 3.97Å; V345-K366 HydrophobicContact CG1-CD 4.41Å
346W92.3Very high89.6Confident50 Ų5060.9 Ų60.919%0.18935%0.349CS..  trans-69.2116.4175.3-58.2111.5000111R331 P344 A381 M383 A499 F501R331-W346 HydrophobicContact CG-CZ2 4.28Å; P344-W346 HydrophobicContact CB-CZ2 4.47Å; P344-W346 HydrophobicContact CG-CD2 4.4Å; P344-W346 HydrophobicContact CG-CH2 3.99Å; P344-W346 HydrophobicContact CG-CZ2 3.48Å; P344-W346 VanDerWaalsContact CG-CZ2 3.48Å; P344-W346 PolarHBondContact O-N 3.38Å; W346-A381 HydrophobicContact CE3-CB 4.42Å; W346-A381 HydrophobicContact CZ3-CB 4.25Å; W346-M383 HydrophobicContact CE3-CE 4.06Å; W346-M383 HydrophobicContact CE3-CG 3.92Å; W346-M383 HydrophobicContact CE3-SD 3.88Å; W346-M383 HydrophobicContact CZ3-CG 3.72Å; W346-M383 HydrophobicContact CZ3-SD 4.01Å; W346-A499 HydrophobicContact CH2-CB 3.86Å; W346-A499 HydrophobicContact CZ3-CB 3.67Å; W346-F501 AromaticContact CH2-CE1 3.61Å; W346-F501 HydrophobicContact CH2-CE1 3.61Å; W346-F501 AromaticContact CH2-CZ 3.87Å; W346-F501 HydrophobicContact CH2-CZ 3.87Å; W346-F501 HydrophobicContact CZ2-CE1 4.47Å; W346-F501 HydrophobicContact CZ3-CE1 4.03Å; W346-F501 HydrophobicContact CZ3-CZ 4.44Å
347L95.4Very high90.4Very high9 Ų962.7 Ų62.75%0.04734%0.342CS..  trans-76150176-58.4-178.1000112V345 Q349 L356 A368 A370 V382V345-L347 PolarHBondContact O-N 2.92Å; L347-Q349 HydrophobicContact CB-CG 4.19Å; L347-Q349 PolarHBondContact O-N 2.83Å; L347-L356 HydrophobicContact CD2-CB 4.1Å; L347-L356 HydrophobicContact CD2-CD2 3.74Å; L347-A368 HydrophobicContact CD1-CB 4.36Å; L347-A368 HydrophobicContact CD2-CB 4.3Å; L347-A370 WeakPolarHBondContact CD1-O 3.32Å; L347-V382 HydrophobicContact CD1-CG1 4.34Å
348E95.3Very high91.3Very high121 Ų12158.7 Ų58.757%0.56531%0.309SS*.  trans-8981.6163.9-69.2174.8-165.900108.5V350 K366 R367 A368E348-V350 PolarHBondContact O-N 2.77Å; E348-K366 PolarHBondContact N-O 2.86Å; E348-R367 HydrophobicContact CB-CB 4.44Å; E348-R367 WeakPolarHBondContact O-CA 3.24Å; E348-A368 PolarHBondContact O-N 3.5Å
349Q95.1Very high92.1Very high41 Ų4161.5 Ų61.519%0.19232%0.32CS..  trans-66.1129.1-176.1-72.3162.3-131.900112.2L347 A368 M383 H404L347-Q349 HydrophobicContact CB-CG 4.19Å; L347-Q349 PolarHBondContact O-N 2.83Å; Q349-A368 WeakPolarHBondContact CA-O 3.45Å; Q349-M383 PolarHBondContact NE2-O 3.29Å; Q349-M383 PolarHBondContact OE1-O 3.32Å; Q349-H404 HydrophobicContact CG-CB 4.11Å; Q349-H404 PolarHBondContact NE2-CD2 3.13Å; Q349-H404 PolarHBondContact NE2-CE1 3.44Å; Q349-H404 PolarHBondContact NE2-ND1 3.48Å; Q349-H404 PolarHBondContact NE2-NE2 3.2Å
350V95.2Very high92.4Very high60 Ų6057.5 Ų57.536%0.36431%0.313SS..  trans-126.111.5-175.8-67.50000113.5E348 G352 R367 D369E348-V350 PolarHBondContact O-N 2.77Å; V350-G352 PolarHBondContact O-N 3.4Å; V350-R367 HydrophobicContact CB-CG 4.46Å; V350-R367 HydrophobicContact CG1-CG 3.77Å; V350-R367 HydrophobicContact CG2-CG 3.87Å; V350-D369 WeakPolarHBondContact CG2-OD2 3.27Å; V350-D369 PolarHBondContact N-OD1 3.4Å; V350-D369 PolarHBondContact N-OD2 3.07Å
351H94Very high92.5Very high72 Ų7263.2 Ų63.233%0.33334%0.339SS..SBendtrans58.831.6-176.8-5370.2000113.6D369 H404 R408 G409H351-D369 VanDerWaalsContact CA-OD1 3.31Å; H351-D369 WeakPolarHBondContact CA-OD1 3.27Å; H351-D369 PolarHBondContact N-OD1 2.94Å; H351-D369 PolarHBondContact N-OD2 2.87Å; H351-H404 AromaticContact CD2-CE1 3.6Å; H351-H404 AromaticContact CE1-CE1 3.87Å; H351-H404 AromaticContact CG-CE1 3.95Å; H351-H404 AromaticContact NE2-CE1 3.58Å; H351-R408 HydrophobicContact CB-CB 4.08Å; H351-G409 PolarHBondContact O-N 3Å
352G96.1Very high92.7Very high21 Ų2165.8 Ų65.822%0.21636%0.356CS..SBendtrans-93-151.8170.900000112.5V350 D369 G409V350-G352 PolarHBondContact O-N 3.4Å; G352-D369 PolarHBondContact N-OD2 2.83Å; G352-G409 WeakPolarHBondContact O-CA 3.48Å
353K97.5Very high92.9Very high86 Ų8666.6 Ų66.637%0.37435%0.353SS..  trans-126.1-3.8-177.867.9178-168.8156.30114.6A412 V414 E417K353-A412 HydrophobicContact CB-CB 4.08Å; K353-A412 VanDerWaalsContact CD-O 3.25Å; K353-A412 WeakPolarHBondContact CD-O 3.34Å; K353-V414 HydrophobicContact CB-CB 4.34Å; K353-E417 IonicContact NZ-OE2 3.12Å
354D98.1Very high92.9Very high96 Ų9664.6 Ų64.651%0.51337%0.367SS..  trans-68.9139.9-172.6-59.2-33.4000111A368 D369 A370D354-A368 WeakPolarHBondContact O-CB 3.24Å; D354-D369 PolarHBondContact O-N 3.29Å; D354-A370 PolarHBondContact O-N 3.22Å; D354-A370 VanDerWaalsContact O-N 3.14Å
355V98.2Very high93.1Very high29 Ų2966.7 Ų66.718%0.17638%0.382CS..EExtended strand (participates in β ladder)trans-113.2121.6-179.1-168.20000109.4A370 E417V355-A370 CarbonylContact C-O 3.58Å; V355-A370 WeakPolarHBondContact CA-O 3.37Å; V355-A370 HydrophobicContact CB-CB 4.3Å; V355-A370 HydrophobicContact CG1-CB 3.96Å; V355-A370 HydrophobicContact CG2-CB 4.04Å; V355-E417 HydrophobicContact CG2-CB 3.99Å; V355-E417 HydrophobicContact CG2-CG 3.79Å
356L97.9Very high93.3Very high28 Ų2869.9 Ų69.915%0.14739%0.394CS..EExtended strand (participates in β ladder)trans-86.1118.4174-175.865.6000110.4V345 L347 L358 Y363 A368 A370 S371 Y372V345-L356 HydrophobicContact CG1-CD2 4.26Å; L347-L356 HydrophobicContact CD2-CB 4.1Å; L347-L356 HydrophobicContact CD2-CD2 3.74Å; L356-L358 HydrophobicContact CD2-CD2 3.81Å; L356-L358 HydrophobicContact CG-CD2 3.95Å; L356-L358 PolarHBondContact O-N 3.02Å; L356-Y363 HydrophobicContact CD1-CD1 3.97Å; L356-Y363 HydrophobicContact CD1-CG 4.4Å; L356-Y363 HydrophobicContact CD2-CD1 4.22Å; L356-Y363 HydrophobicContact CD2-CG 4.15Å; L356-Y363 HydrophobicContact CG-CD1 4.3Å; L356-A368 HydrophobicContact CB-CB 3.91Å; L356-A370 PolarHBondContact N-O 3.21Å; L356-S371 CarbonylContact O-C 3.59Å; L356-S371 WeakPolarHBondContact O-CA 3.31Å; L356-Y372 PolarHBondContact O-N 3.47Å
357K97.1Very high93.6Very high116 Ų11675 Ų7550%0.50441%0.413SS..EExtended strand (participates in β ladder)trans-80118172.2-63.5-173177.8-172.80110T359 Y372K357-T359 PolarHBondContact O-N 2.83Å; K357-Y372 HydrophobicContact CB-CD1 4.43Å; K357-Y372 HydrophobicContact CD-CD1 4.43Å; K357-Y372 HydrophobicContact CG-CD1 4.02Å
358L95.8Very high93.7Very high3 Ų374.7 Ų74.72%0.01641%0.412CS..  trans-86.995.7-176.8-54.3-173.4000110.3V345 L356 Y363 Y372 T378 C380V345-L358 HydrophobicContact CB-CD1 4.16Å; V345-L358 HydrophobicContact CB-CD2 3.9Å; V345-L358 HydrophobicContact CG1-CD2 3.92Å; V345-L358 HydrophobicContact CG2-CD1 4.18Å; V345-L358 HydrophobicContact CG2-CD2 4.02Å; L356-L358 HydrophobicContact CD2-CD2 3.81Å; L356-L358 HydrophobicContact CG-CD2 3.95Å; L356-L358 PolarHBondContact O-N 3.02Å; L358-Y363 WeakPolarHBondContact CA-OH 3.21Å; L358-Y363 HydrophobicContact CD2-CE1 4.23Å; L358-Y363 HydrophobicContact CD2-CE2 4.44Å; L358-Y372 PolarHBondContact N-O 2.84Å; L358-T378 HydrophobicContact CB-CG2 3.58Å; L358-T378 HydrophobicContact CD1-CG2 3.86Å; L358-T378 HydrophobicContact CG-CG2 4.39Å; L358-C380 HydrophobicContact CD1-CB 4.49Å
359T89.6Confident93.8Very high91 Ų9169 Ų6956%0.55839%0.386SS*.  trans-97.9-4-178.157.40000113.8K357 E361 Y363K357-T359 PolarHBondContact O-N 2.83Å; T359-E361 VanDerWaalsContact C-N 3.28Å; T359-E361 PolarHBondContact O-N 3.48Å; T359-Y363 PolarHBondContact N-OH 2.76Å
360G83.2Confident93.9Very high61 Ų6167 Ų6763%0.62938%0.376SS*.SBendtrans86.1-9.5-174.500000114.7Y363G360-Y363 PolarHBondContact N-OH 3.12Å
361E83.3Confident94.1Very high133 Ų13364.2 Ų64.262%0.62136%0.359SS*.SBendtrans-81.8161.5176.1-67.8-65.5157.600112.3T359 Y363T359-E361 VanDerWaalsContact C-N 3.28Å; T359-E361 PolarHBondContact O-N 3.48Å; E361-Y363 PolarHBondContact O-N 2.73Å
362P87.2Confident94.3Very high121 Ų12161.5 Ų61.579%0.78635%0.346SS*.PPolyproline II helixtrans-57.5125.7169.9-21.632.7000111.7
363Y90.6Very high94.3Very high57 Ų5760.5 Ų60.522%0.22434%0.336CS..PPolyproline II helixtrans-87.8128.9179.6-49-72.7000111V345 L356 L358 T359 G360 E361 S365V345-Y363 HydrophobicContact CG1-CD2 4.3Å; V345-Y363 HydrophobicContact CG1-CE2 4.03Å; V345-Y363 HydrophobicContact CG2-CE2 3.97Å; L356-Y363 HydrophobicContact CD1-CD1 3.97Å; L356-Y363 HydrophobicContact CD1-CG 4.4Å; L356-Y363 HydrophobicContact CD2-CD1 4.22Å; L356-Y363 HydrophobicContact CD2-CG 4.15Å; L356-Y363 HydrophobicContact CG-CD1 4.3Å; L358-Y363 WeakPolarHBondContact CA-OH 3.21Å; L358-Y363 HydrophobicContact CD2-CE1 4.23Å; L358-Y363 HydrophobicContact CD2-CE2 4.44Å; T359-Y363 PolarHBondContact N-OH 2.76Å; G360-Y363 PolarHBondContact N-OH 3.12Å; E361-Y363 PolarHBondContact O-N 2.73Å; Y363-S365 PolarHBondContact O-N 2.92Å
364A89.6Confident94.2Very high120 Ų12060.9 Ų60.999%0.99234%0.342SS*.SBendtrans-60.8-31.8176.400000112.7
365S93.9Very high94Very high62 Ų6258.9 Ų58.943%0.43433%0.333SS..  trans-148.9147.9171.3-174.20000109.6Y363 R367Y363-S365 PolarHBondContact O-N 2.92Å; S365-R367 VanDerWaalsContact OG-CB 3.31Å; S365-R367 WeakPolarHBondContact OG-CB 3.26Å; S365-R367 PolarHBondContact OG-N 3.28Å; S365-R367 VanDerWaalsContact OG-N 3.13Å
366K94.6Very high93.6Very high91 Ų9161.7 Ų61.740%0.39635%0.352SS..  trans-102.17.5169.9-64.8-179.7-178175.60112.2V345 E348 A368V345-K366 HydrophobicContact CG1-CD 4.41Å; E348-K366 PolarHBondContact N-O 2.86Å; K366-A368 PolarHBondContact O-N 2.97Å; K366-A368 VanDerWaalsContact O-N 3.11Å
367R97.1Very high93Very high157 Ų15761.2 Ų61.259%0.59235%0.354SS*.  trans-73.4100178.8-171.3179.7177.1175.42.7109.7E348 V350 S365E348-R367 HydrophobicContact CB-CB 4.44Å; E348-R367 WeakPolarHBondContact O-CA 3.24Å; V350-R367 HydrophobicContact CB-CG 4.46Å; V350-R367 HydrophobicContact CG1-CG 3.77Å; V350-R367 HydrophobicContact CG2-CG 3.87Å; S365-R367 VanDerWaalsContact OG-CB 3.31Å; S365-R367 WeakPolarHBondContact OG-CB 3.26Å; S365-R367 PolarHBondContact OG-N 3.28Å; S365-R367 VanDerWaalsContact OG-N 3.13Å
368A97.5Very high92.8Very high3 Ų356.7 Ų56.73%0.02534%0.336CS..  trans-162.1161.4-17900000108.9L347 E348 Q349 D354 L356 K366L347-A368 HydrophobicContact CD1-CB 4.36Å; L347-A368 HydrophobicContact CD2-CB 4.3Å; E348-A368 PolarHBondContact O-N 3.5Å; Q349-A368 WeakPolarHBondContact CA-O 3.45Å; D354-A368 WeakPolarHBondContact O-CB 3.24Å; L356-A368 HydrophobicContact CB-CB 3.91Å; K366-A368 PolarHBondContact O-N 2.97Å; K366-A368 VanDerWaalsContact O-N 3.11Å
369D98.2Very high92.6Very high1 Ų156.6 Ų56.61%0.00534%0.336CS..SBendtrans-113.1-0.2175.1-75.9-89000112.3V350 H351 G352 D354 H404 V414V350-D369 WeakPolarHBondContact CG2-OD2 3.27Å; V350-D369 PolarHBondContact N-OD1 3.4Å; V350-D369 PolarHBondContact N-OD2 3.07Å; H351-D369 VanDerWaalsContact CA-OD1 3.31Å; H351-D369 WeakPolarHBondContact CA-OD1 3.27Å; H351-D369 PolarHBondContact N-OD1 2.94Å; H351-D369 PolarHBondContact N-OD2 2.87Å; G352-D369 PolarHBondContact N-OD2 2.83Å; D354-D369 PolarHBondContact O-N 3.29Å; D369-H404 HydrophobicContact CB-CB 4.43Å; D369-H404 WeakPolarHBondContact O-CB 3.34Å; D369-H404 PolarHBondContact O-N 2.92Å; D369-H404 IonicContact OD1-CE1 3.99Å; D369-H404 IonicContact OD1-CG 2.99Å; D369-H404 IonicContact OD1-ND1 3.38Å; D369-H404 PolarHBondContact OD1-ND1 2.82Å; D369-V414 HydrophobicContact CB-CG2 4.09Å
370A98.4Very high92.9Very high0 Ų052.2 Ų52.20%031%0.309CS..EExtended strand (participates in β ladder)trans-142.3162.6166.300000111.7L347 D354 V355 L356 A402 A403 V414 T418L347-A370 WeakPolarHBondContact CD1-O 3.32Å; D354-A370 PolarHBondContact O-N 3.22Å; D354-A370 VanDerWaalsContact O-N 3.14Å; V355-A370 CarbonylContact C-O 3.58Å; V355-A370 WeakPolarHBondContact CA-O 3.37Å; V355-A370 HydrophobicContact CB-CB 4.3Å; V355-A370 HydrophobicContact CG1-CB 3.96Å; V355-A370 HydrophobicContact CG2-CB 4.04Å; L356-A370 PolarHBondContact N-O 3.21Å; A370-A402 CarbonylContact C-O 3.57Å; A370-A402 WeakPolarHBondContact CA-O 3.49Å; A370-A403 HydrophobicContact CB-CB 3.75Å; A370-V414 HydrophobicContact CB-CG2 4.13Å; A370-T418 HydrophobicContact CB-CG2 4.44Å; A370-T418 WeakPolarHBondContact CB-OG1 3.43Å
371S97.9Very high93.5Very high0 Ų049.3 Ų49.30%028%0.279CS..EExtended strand (participates in β ladder)trans-133.9142.1173.755.30000110.4L356 C380 A401 A402L356-S371 CarbonylContact O-C 3.59Å; L356-S371 WeakPolarHBondContact O-CA 3.31Å; S371-C380 WeakPolarHBondContact OG-CB 3.08Å; S371-A401 CarbonylContact O-C 3.57Å; S371-A401 WeakPolarHBondContact O-CA 3.29Å; S371-A401 WeakPolarHBondContact O-CB 3.29Å; S371-A402 PolarHBondContact N-O 2.88Å; S371-A402 PolarHBondContact O-N 2.81Å
372Y98.3Very high94.1Very high15 Ų1543 Ų436%0.05925%0.249CC..EExtended strand (participates in β ladder)trans-127.7144.1179.5161.7-85000109.6L356 K357 L358 N374 E399 V400 A401 C421 F422L356-Y372 PolarHBondContact O-N 3.47Å; K357-Y372 HydrophobicContact CB-CD1 4.43Å; K357-Y372 HydrophobicContact CD-CD1 4.43Å; K357-Y372 HydrophobicContact CG-CD1 4.02Å; L358-Y372 PolarHBondContact N-O 2.84Å; Y372-N374 HydrophobicContact CE1-CB 4.46Å; Y372-E399 HydrophobicContact CE2-CB 4.09Å; Y372-E399 HydrophobicContact CE2-CG 4.42Å; Y372-E399 WeakPolarHBondContact CE2-OE1 3.49Å; Y372-E399 PolarHBondContact OH-OE1 2.86Å; Y372-V400 CarbonylContact C-O 3.55Å; Y372-V400 WeakPolarHBondContact CA-O 3.27Å; Y372-A401 HydrophobicContact CD2-CB 4.46Å; Y372-C421 HydrophobicContact CD1-CB 4.45Å; Y372-C421 HydrophobicContact CD2-CB 3.86Å; Y372-C421 HydrophobicContact CE2-CB 4.42Å; Y372-C421 WeakPolarHBondContact CE2-O 3.26Å; Y372-C421 HydrophobicContact CG-CB 3.86Å; Y372-F422 HydrophobicContact CD2-CD2 4.1Å; Y372-F422 HydrophobicContact CD2-CE2 4.03Å; Y372-F422 HydrophobicContact CD2-CZ 4.47Å; Y372-F422 HydrophobicContact CE2-CD1 4.49Å; Y372-F422 HydrophobicContact CE2-CD2 4.18Å; Y372-F422 HydrophobicContact CE2-CE2 4.4Å; Y372-F422 HydrophobicContact CE2-CG 4.21Å
373S96.7Very high94.5Very high1 Ų137.6 Ų37.61%0.00721%0.214CC..EExtended strand (participates in β ladder)trans-146.6142.3173.7-177.40000111.2T375 T378 V400S373-T375 PolarHBondContact OG-N 3.23Å; S373-T375 PolarHBondContact OG-O 3.29Å; S373-T378 WeakPolarHBondContact OG-CB 2.99Å; S373-V400 PolarHBondContact N-O 3.02Å; S373-V400 PolarHBondContact O-N 2.68Å
374N95.6Very high94.8Very high94 Ų9434.9 Ų34.950%0.50320%0.203SC..  trans-117.516.4163.562.4-5.5000111.7Y372 E399Y372-N374 HydrophobicContact CE1-CB 4.46Å; N374-E399 HydrophobicContact CB-CG 4.22Å
375T93.3Very high95Very high53 Ų5329.4 Ų29.433%0.32516%0.158SC..SBendtrans-104.2117.6-178.4-560000110.2S373 T378S373-T375 PolarHBondContact OG-N 3.23Å; S373-T375 PolarHBondContact OG-O 3.29Å; T375-T378 WeakPolarHBondContact O-CB 3.47Å; T375-T378 PolarHBondContact O-N 3.1Å
376P89.7Confident95.1Very high88 Ų8827.3 Ų27.357%0.57114%0.142SC*.THydrogen-bonded Turntrans-49.6139.9171.6-29.536.9000113.3T378P376-T378 PolarHBondContact O-N 2.87Å
377G86.3Confident95.1Very high18 Ų1824.2 Ų24.219%0.18613%0.132CC..THydrogen-bonded Turntrans76.5-4.7-179.300000115.9P341 S342 L504P341-G377 WeakPolarHBondContact CG-O 3.48Å; S342-G377 WeakPolarHBondContact CB-O 3.35Å; S342-G377 PolarHBondContact OG-O 2.96Å; G377-L504 PolarHBondContact N-O 3.37Å
378T92.1Very high95.1Very high21 Ų2116.8 Ų16.813%0.12910%0.103CC..  trans-88.1124.9174.9-60.30000110.4L358 S373 T375 P376 W503L358-T378 HydrophobicContact CB-CG2 3.58Å; L358-T378 HydrophobicContact CD1-CG2 3.86Å; L358-T378 HydrophobicContact CG-CG2 4.39Å; S373-T378 WeakPolarHBondContact OG-CB 2.99Å; T375-T378 WeakPolarHBondContact O-CB 3.47Å; T375-T378 PolarHBondContact O-N 3.1Å; P376-T378 PolarHBondContact O-N 2.87Å; T378-W503 WeakPolarHBondContact O-CB 3.47Å
379V92.3Very high95.1Very high1 Ų116.6 Ų16.61%0.00610%0.102CC..EExtended strand (participates in β ladder)trans-97.2114.5-176.5-177.50000111.1L340 P341 P344 F501 W503L340-V379 HydrophobicContact CB-CG2 4.33Å; L340-V379 HydrophobicContact CD2-CB 4.3Å; L340-V379 HydrophobicContact CD2-CG1 3.54Å; L340-V379 HydrophobicContact CD2-CG2 3.88Å; P341-V379 HydrophobicContact CG-CG2 3.93Å; P344-V379 HydrophobicContact CB-CB 4.23Å; P344-V379 HydrophobicContact CB-CG1 3.88Å; V379-F501 HydrophobicContact CG1-CB 4.16Å; V379-F501 HydrophobicContact CG1-CD1 4.08Å; V379-W503 HydrophobicContact CG1-CE3 4.37Å; V379-W503 HydrophobicContact CG2-CB 4.08Å; V379-W503 HydrophobicContact CG2-CD2 4.49Å; V379-W503 HydrophobicContact CG2-CE3 4.46Å; V379-W503 HydrophobicContact CG2-CG 4.37Å
380C95.5Very high95.1Very high0 Ų016.6 Ų16.60%010%0.102CC..EExtended strand (participates in β ladder)trans-77.2136165.3-70.40000109.5L358 S371 A402 F501 I502L358-C380 HydrophobicContact CD1-CB 4.49Å; S371-C380 WeakPolarHBondContact OG-CB 3.08Å; C380-A402 HydrophobicContact CB-CB 3.83Å; C380-F501 WeakPolarHBondContact O-CA 3.48Å; C380-I502 HydrophobicContact CB-CG2 3.86Å; C380-I502 PolarHBondContact N-O 3.29Å; C380-I502 PolarHBondContact O-N 3.49Å
381A94.7Very high95.1Very high0 Ų016.7 Ų16.70%010%0.103CC..EExtended strand (participates in β ladder)trans-146.6142.6-178.200000112.7P344 W346 S500 F501P344-A381 HydrophobicContact CB-CB 3.63Å; W346-A381 HydrophobicContact CE3-CB 4.42Å; W346-A381 HydrophobicContact CZ3-CB 4.25Å; A381-S500 VanDerWaalsContact CA-O 3.27Å; A381-S500 WeakPolarHBondContact CA-O 3.34Å; A381-F501 HydrophobicContact CB-CD1 3.66Å; A381-F501 HydrophobicContact CB-CE1 3.89Å
382V96.7Very high95.1Very high0 Ų016.7 Ų16.70%010%0.103CC..EExtended strand (participates in β ladder)trans-133.7145.7171.2-67.50000110.2L347 P389 A402 H404 A499 S500L347-V382 HydrophobicContact CD1-CG1 4.34Å; V382-P389 HydrophobicContact CG2-CB 3.88Å; V382-A402 HydrophobicContact CG1-CB 4.02Å; V382-A402 WeakPolarHBondContact CG1-O 3.16Å; V382-A402 HydrophobicContact CG2-CB 4.25Å; V382-H404 HydrophobicContact CB-CB 4.23Å; V382-H404 HydrophobicContact CG1-CB 4.2Å; V382-A499 CarbonylContact O-C 3.05Å; V382-A499 VanDerWaalsContact O-CA 3.23Å; V382-A499 WeakPolarHBondContact O-CA 3.39Å; V382-S500 PolarHBondContact N-O 2.94Å; V382-S500 VanDerWaalsContact N-O 3.08Å; V382-S500 PolarHBondContact O-N 3.44Å
383M96Very high95Very high7 Ų718 Ų183%0.03411%0.113CC..EExtended strand (participates in β ladder)trans-105.9135.9178.9-74.4-177.2-68.400111.7W346 Q349 R497 M498 A499W346-M383 HydrophobicContact CE3-CE 4.06Å; W346-M383 HydrophobicContact CE3-CG 3.92Å; W346-M383 HydrophobicContact CE3-SD 3.88Å; W346-M383 HydrophobicContact CZ3-CG 3.72Å; W346-M383 HydrophobicContact CZ3-SD 4.01Å; Q349-M383 PolarHBondContact NE2-O 3.29Å; Q349-M383 PolarHBondContact OE1-O 3.32Å; M383-R497 HydrophobicContact CB-CB 4.14Å; M383-M498 CarbonylContact C-O 3.5Å; M383-M498 WeakPolarHBondContact CA-O 3.45Å; M383-A499 HydrophobicContact CG-CB 4.04Å
384T95.8Very high94.9Very high1 Ų118.1 Ų18.11%0.00611%0.114CC..EExtended strand (participates in β ladder)trans-138.1158.2-178.756.40000112.4C387 P389 R497 M498T384-C387 VanDerWaalsContact CB-O 3.29Å; T384-C387 WeakPolarHBondContact CB-O 3.11Å; T384-C387 HydrophobicContact CG2-CB 4.29Å; T384-C387 VanDerWaalsContact CG2-O 3.25Å; T384-C387 WeakPolarHBondContact CG2-O 3.35Å; T384-P389 HydrophobicContact CG2-CB 3.89Å; T384-P389 HydrophobicContact CG2-CG 4.11Å; T384-R497 CarbonylContact O-C 3.54Å; T384-R497 WeakPolarHBondContact O-CA 3.42Å; T384-M498 PolarHBondContact N-O 3.14Å; T384-M498 PolarHBondContact O-N 2.83Å
385A94.5Very high94.7Very high5 Ų519.1 Ų19.14%0.04111%0.111CC..SBendtrans-120.2-68.4156.200000107.4T479 F487 T495 M498A385-T479 VanDerWaalsContact O-CG2 3.24Å; A385-T479 WeakPolarHBondContact O-CG2 3.43Å; A385-F487 CarbonylContact C-O 3.52Å; A385-F487 HydrophobicContact CB-CB 4.45Å; A385-T495 HydrophobicContact CB-CG2 4.19Å; A385-M498 VanDerWaalsContact O-CE 3.27Å; A385-M498 WeakPolarHBondContact O-CE 3.48Å
386D95.4Very high94.4Very high18 Ų1820 Ų2010%0.09612%0.123CC..SBendtrans-105.3-25179-73.1-23.5000114.2I437 T479 S488 Y489 R490D386-I437 HydrophobicContact CB-CB 3.81Å; D386-I437 HydrophobicContact CB-CD1 4.45Å; D386-I437 HydrophobicContact CB-CG2 4.11Å; D386-I437 VanDerWaalsContact O-CG2 3.24Å; D386-I437 WeakPolarHBondContact O-CG2 3.45Å; D386-I437 PolarHBondContact O-N 2.86Å; D386-T479 PolarHBondContact OD1-OG1 3.41Å; D386-S488 VanDerWaalsContact OD1-CA 3.27Å; D386-S488 WeakPolarHBondContact OD1-CA 3.38Å; D386-S488 VanDerWaalsContact OD1-CB 3.27Å; D386-S488 WeakPolarHBondContact OD1-CB 3.36Å; D386-S488 PolarHBondContact OD1-OG 2.93Å; D386-S488 PolarHBondContact OD2-OG 3.45Å; D386-Y489 PolarHBondContact OD1-N 2.98Å; D386-Y489 WeakPolarHBondContact OD2-CA 3.29Å; D386-Y489 WeakPolarHBondContact OD2-CB 3.38Å; D386-Y489 PolarHBondContact OD2-N 3.11Å; D386-R490 VanDerWaalsContact OD2-CB 3.27Å; D386-R490 WeakPolarHBondContact OD2-CB 3.38Å; D386-R490 PolarHBondContact OD2-N 2.85Å
387C95.7Very high94.4Very high26 Ų2618.1 Ų18.118%0.17612%0.12CC..SBendtrans-63.2151.7175.4-62.40000110.6T384 P389 H404T384-C387 VanDerWaalsContact CB-O 3.29Å; T384-C387 WeakPolarHBondContact CB-O 3.11Å; T384-C387 HydrophobicContact CG2-CB 4.29Å; T384-C387 VanDerWaalsContact CG2-O 3.25Å; T384-C387 WeakPolarHBondContact CG2-O 3.35Å; C387-P389 VanDerWaalsContact O-CD 3.29Å; C387-P389 WeakPolarHBondContact O-CD 3.43Å; C387-H404 WeakPolarHBondContact CB-NE2 3.44Å; C387-H404 PolarHBondContact SG-NE2 3.08Å
388L96.9Very high94.8Very high0 Ų020.8 Ų20.80%013%0.133CC..EExtended strand (participates in β ladder)trans-80.1119-178.1174.263.1000111.1V390 A405 L433 A436 I456 Y457 A460L388-V390 HydrophobicContact CD2-CG2 3.97Å; L388-V390 HydrophobicContact CG-CG2 3.8Å; L388-A405 HydrophobicContact CB-CB 4.24Å; L388-A405 WeakPolarHBondContact CB-O 3.32Å; L388-A405 HydrophobicContact CG-CB 4.47Å; L388-A405 PolarHBondContact N-O 2.72Å; L388-A405 WeakPolarHBondContact O-CA 3.39Å; L388-A405 WeakPolarHBondContact O-CB 3.45Å; L388-A405 PolarHBondContact O-N 3.01Å; L388-L433 HydrophobicContact CD1-CB 4.11Å; L388-L433 HydrophobicContact CD2-CD2 4.27Å; L388-A436 HydrophobicContact CB-CB 4.01Å; L388-A436 HydrophobicContact CD1-CB 3.86Å; L388-I456 HydrophobicContact CB-CD1 3.81Å; L388-I456 HydrophobicContact CB-CG1 4.11Å; L388-I456 HydrophobicContact CD2-CG1 4.41Å; L388-Y457 HydrophobicContact CD1-CD1 3.79Å; L388-Y457 HydrophobicContact CD1-CE1 3.34Å; L388-Y457 HydrophobicContact CD2-CD1 4.42Å; L388-A460 HydrophobicContact CD2-CB 3.35Å
389P97.5Very high95Very high0 Ų020.4 Ų20.40%013%0.129CC..EExtended strand (participates in β ladder)trans-79.9135.116431.2-28.5000109.4V382 T384 C387 A403 G434 P435 S500V382-P389 HydrophobicContact CG2-CB 3.88Å; T384-P389 HydrophobicContact CG2-CB 3.89Å; T384-P389 HydrophobicContact CG2-CG 4.11Å; C387-P389 VanDerWaalsContact O-CD 3.29Å; C387-P389 WeakPolarHBondContact O-CD 3.43Å; P389-A403 WeakPolarHBondContact CA-O 3.27Å; P389-G434 PolarHBondContact O-N 2.87Å; P389-P435 WeakPolarHBondContact CD-O 3.49Å; P389-S500 VanDerWaalsContact CB-OG 3.27Å; P389-S500 WeakPolarHBondContact CB-OG 3.33Å; P389-S500 WeakPolarHBondContact CG-OG 3.47Å
390V97.9Very high95.3Very high0 Ų020.5 Ų20.50%013%0.13CC..EExtended strand (participates in β ladder)trans-123.6122.8174.1-172.10000109L388 F392 A402 A403 A405 L415 A431 W432 L433L388-V390 HydrophobicContact CD2-CG2 3.97Å; L388-V390 HydrophobicContact CG-CG2 3.8Å; V390-F392 HydrophobicContact CB-CE2 3.8Å; V390-F392 HydrophobicContact CB-CZ 4.14Å; V390-F392 HydrophobicContact CG1-CD2 4.07Å; V390-F392 HydrophobicContact CG1-CE1 4.06Å; V390-F392 HydrophobicContact CG1-CE2 3.41Å; V390-F392 VanDerWaalsContact CG1-CE2 3.41Å; V390-F392 HydrophobicContact CG1-CZ 3.43Å; V390-F392 VanDerWaalsContact CG1-CZ 3.43Å; V390-A402 CarbonylContact O-C 3.22Å; V390-A402 WeakPolarHBondContact O-CA 3.4Å; V390-A403 HydrophobicContact CB-CB 4.49Å; V390-A403 PolarHBondContact N-O 2.79Å; V390-A403 PolarHBondContact O-N 3.08Å; V390-A405 HydrophobicContact CG2-CB 4.07Å; V390-L415 HydrophobicContact CB-CD2 4.01Å; V390-L415 HydrophobicContact CG1-CD2 4.33Å; V390-L415 HydrophobicContact CG2-CD2 3.74Å; V390-A431 HydrophobicContact CG1-CB 4.25Å; V390-W432 WeakPolarHBondContact CA-O 3.33Å; V390-L433 HydrophobicContact CB-CD2 4.44Å; V390-L433 HydrophobicContact CG1-CD2 3.92Å; V390-L433 HydrophobicContact CG2-CD2 3.8Å
391L97.6Very high95.4Very high3 Ų320.5 Ų20.52%0.01613%0.13CC..EExtended strand (participates in β ladder)trans-103.4143.7174.1-57.2179.4000109.5D298 A401 A402 A431 W432 F501 I502D298-L391 HydrophobicContact CB-CD1 3.42Å; D298-L391 VanDerWaalsContact CB-CD1 3.42Å; L391-A401 CarbonylContact C-O 3.53Å; L391-A401 WeakPolarHBondContact CA-O 3.38Å; L391-A402 HydrophobicContact CD2-CB 3.56Å; L391-A431 CarbonylContact O-C 3.56Å; L391-A431 WeakPolarHBondContact O-CA 3.39Å; L391-W432 HydrophobicContact CB-CE3 4.15Å; L391-W432 HydrophobicContact CD1-CE3 3.65Å; L391-W432 HydrophobicContact CD1-CZ3 3.8Å; L391-W432 HydrophobicContact CG-CE3 3.8Å; L391-W432 HydrophobicContact CG-CZ3 4.14Å; L391-W432 PolarHBondContact N-O 2.79Å; L391-W432 PolarHBondContact O-N 3.08Å; L391-F501 VanDerWaalsContact CD1-O 3.29Å; L391-F501 WeakPolarHBondContact CD1-O 3.39Å; L391-I502 HydrophobicContact CB-CB 4.48Å; L391-I502 HydrophobicContact CB-CD1 4.11Å; L391-I502 HydrophobicContact CD1-CB 4.35Å; L391-I502 HydrophobicContact CD2-CB 4.2Å; L391-I502 HydrophobicContact CD2-CG2 4.03Å
392F97.8Very high95.6Very high0 Ų020.5 Ų20.50%013%0.13CC..EExtended strand (participates in β ladder)trans-130.6140.6-176.8-59.9-99.1000110.5V390 V400 A401 A403 L415 T418 V419 F422 I429 L430 A431 L464 I502V390-F392 HydrophobicContact CB-CE2 3.8Å; V390-F392 HydrophobicContact CB-CZ 4.14Å; V390-F392 HydrophobicContact CG1-CD2 4.07Å; V390-F392 HydrophobicContact CG1-CE1 4.06Å; V390-F392 HydrophobicContact CG1-CE2 3.41Å; V390-F392 VanDerWaalsContact CG1-CE2 3.41Å; V390-F392 HydrophobicContact CG1-CZ 3.43Å; V390-F392 VanDerWaalsContact CG1-CZ 3.43Å; F392-V400 CarbonylContact O-C 3.47Å; F392-V400 WeakPolarHBondContact O-CA 3.45Å; F392-A401 HydrophobicContact CB-CB 4.1Å; F392-A401 HydrophobicContact CD2-CB 4.17Å; F392-A401 HydrophobicContact CG-CB 4.48Å; F392-A401 PolarHBondContact N-O 3.1Å; F392-A401 PolarHBondContact O-N 2.95Å; F392-A403 HydrophobicContact CE2-CB 3.88Å; F392-L415 HydrophobicContact CE2-CD2 4.42Å; F392-L415 HydrophobicContact CZ-CD2 3.96Å; F392-T418 HydrophobicContact CD2-CG2 3.71Å; F392-T418 HydrophobicContact CE2-CG2 3.61Å; F392-T418 HydrophobicContact CG-CG2 4.34Å; F392-T418 HydrophobicContact CZ-CG2 4.17Å; F392-V419 HydrophobicContact CD1-CG2 4.36Å; F392-V419 HydrophobicContact CE1-CG2 3.84Å; F392-F422 HydrophobicContact CB-CE2 3.92Å; F392-F422 HydrophobicContact CB-CZ 3.58Å; F392-I429 HydrophobicContact CB-CG2 4.33Å; F392-I429 HydrophobicContact CD1-CG2 3.92Å; F392-L430 WeakPolarHBondContact CA-O 3.43Å; F392-A431 HydrophobicContact CD1-CB 4.03Å; F392-A431 HydrophobicContact CE1-CB 4.07Å; F392-L464 HydrophobicContact CE1-CD2 3.53Å; F392-L464 HydrophobicContact CZ-CD2 3.95Å; F392-I502 WeakPolarHBondContact O-CD1 3.23Å
393C96.4Very high95.6Very high41 Ų4120.5 Ų20.528%0.27713%0.13SC..EExtended strand (participates in β ladder)trans-142.2158.3162.364.70000109.9E399 V400 I429 L430 I502C393-E399 VanDerWaalsContact CA-O 3.29Å; C393-E399 WeakPolarHBondContact CA-O 3.43Å; C393-V400 HydrophobicContact CB-CG1 4.06Å; C393-I429 CarbonylContact O-C 3.45Å; C393-I429 WeakPolarHBondContact O-CA 3.25Å; C393-L430 PolarHBondContact N-O 3.39Å; C393-L430 VanDerWaalsContact N-O 3.08Å; C393-L430 PolarHBondContact O-N 2.75Å; C393-I502 HydrophobicContact CB-CD1 4.22Å
394N95.4Very high95.7Very high4 Ų420.4 Ų20.42%0.02113%0.129CC..EExtended strand (participates in β ladder)trans-88.2156.1166.674.2-31.4000111A396 G397 T398 E399 F422 D424 N428N394-A396 PolarHBondContact O-N 3.01Å; N394-A396 VanDerWaalsContact O-N 3.13Å; N394-G397 PolarHBondContact O-N 3.21Å; N394-G397 PolarHBondContact OD1-N 2.91Å; N394-T398 PolarHBondContact ND2-OG1 2.84Å; N394-T398 PolarHBondContact OD1-N 3.38Å; N394-T398 PolarHBondContact OD1-OG1 2.77Å; N394-E399 PolarHBondContact N-O 2.78Å; N394-E399 PolarHBondContact OD1-N 2.82Å; N394-F422 HydrophobicContact CB-CD1 4.31Å; N394-F422 HydrophobicContact CB-CE1 4.45Å; N394-D424 HydrophobicContact CB-CB 4.11Å; N394-D424 PolarHBondContact ND2-OD2 3.13Å; N394-N428 CarbonylContact C-O 3.55Å; N394-N428 WeakPolarHBondContact CA-O 3.35Å
395R90.4Very high95.8Very high116 Ų11620.4 Ų20.444%0.43813%0.129SC..THydrogen-bonded Turntrans-56-29.8179.3-78.5175.2-173.5-100.56.6113.4G397 N428 L430 Q471R395-G397 VanDerWaalsContact C-N 3.27Å; R395-G397 PolarHBondContact O-N 2.78Å; R395-N428 WeakPolarHBondContact CG-O 3.3Å; R395-N428 PolarHBondContact N-O 3.07Å; R395-L430 HydrophobicContact CB-CD1 4.32Å; R395-L430 HydrophobicContact CG-CD1 3.71Å; R395-L430 HydrophobicContact CG-CG 4.34Å; R395-Q471 VanDerWaalsContact NH2-CG 3.32Å
396A88.5Confident95.7Very high72 Ų7220.1 Ų20.160%0.59513%0.127SC*.THydrogen-bonded Turntrans-75.2-14.7178.100000113.3N394 T398N394-A396 PolarHBondContact O-N 3.01Å; N394-A396 VanDerWaalsContact O-N 3.13Å; A396-T398 HydrophobicContact CB-CG2 4.22Å
397G89.4Confident95.4Very high48 Ų4823.6 Ų23.650%0.49514%0.139SC..SBendtrans68.640.6-17900000112.9N394 R395 L504N394-G397 PolarHBondContact O-N 3.21Å; N394-G397 PolarHBondContact OD1-N 2.91Å; R395-G397 VanDerWaalsContact C-N 3.27Å; R395-G397 PolarHBondContact O-N 2.78Å; G397-L504 VanDerWaalsContact O-CD2 3.3Å; G397-L504 WeakPolarHBondContact O-CD2 3.31Å
398T94.3Very high95.3Very high74 Ų7429.1 Ų29.145%0.45416%0.156SC..SBendtrans-118.7-13.8-178.257.60000113.6N394 A396 L504N394-T398 PolarHBondContact ND2-OG1 2.84Å; N394-T398 PolarHBondContact OD1-N 3.38Å; N394-T398 PolarHBondContact OD1-OG1 2.77Å; A396-T398 HydrophobicContact CB-CG2 4.22Å; T398-L504 WeakPolarHBondContact O-CD1 3.46Å
399E97.2Very high95.1Very high12 Ų1229.1 Ų29.16%0.05616%0.156CC..  trans-138.9141.3-177.8-58.9-176.685.600109.9Y372 N374 C393 N394 F422 A423 D424Y372-E399 HydrophobicContact CE2-CB 4.09Å; Y372-E399 HydrophobicContact CE2-CG 4.42Å; Y372-E399 WeakPolarHBondContact CE2-OE1 3.49Å; Y372-E399 PolarHBondContact OH-OE1 2.86Å; N374-E399 HydrophobicContact CB-CG 4.22Å; C393-E399 VanDerWaalsContact CA-O 3.29Å; C393-E399 WeakPolarHBondContact CA-O 3.43Å; N394-E399 PolarHBondContact N-O 2.78Å; N394-E399 PolarHBondContact OD1-N 2.82Å; E399-F422 HydrophobicContact CB-CD1 3.51Å; E399-F422 HydrophobicContact CB-CE1 3.52Å; E399-F422 HydrophobicContact CB-CG 4.49Å; E399-F422 HydrophobicContact CB-CZ 4.5Å; E399-F422 HydrophobicContact CG-CD1 4.39Å; E399-F422 WeakPolarHBondContact OE1-CA 3.41Å; E399-A423 PolarHBondContact OE1-N 3.47Å; E399-A423 PolarHBondContact OE2-N 2.8Å; E399-D424 PolarHBondContact OE2-N 3.21Å
400V97.1Very high95Very high3 Ų329.7 Ų29.72%0.01816%0.159CC..EExtended strand (participates in β ladder)trans-140.4153.5177.5-64.40000112.2Y372 S373 F392 C393 I502 L504Y372-V400 CarbonylContact C-O 3.55Å; Y372-V400 WeakPolarHBondContact CA-O 3.27Å; S373-V400 PolarHBondContact N-O 3.02Å; S373-V400 PolarHBondContact O-N 2.68Å; F392-V400 CarbonylContact O-C 3.47Å; F392-V400 WeakPolarHBondContact O-CA 3.45Å; C393-V400 HydrophobicContact CB-CG1 4.06Å; V400-I502 HydrophobicContact CB-CD1 4.31Å; V400-I502 HydrophobicContact CB-CG1 4.02Å; V400-I502 HydrophobicContact CB-CG2 4.01Å; V400-I502 HydrophobicContact CG1-CD1 4.08Å; V400-I502 HydrophobicContact CG1-CG1 3.84Å; V400-I502 HydrophobicContact CG2-CG2 4.41Å; V400-L504 HydrophobicContact CG1-CD2 3.65Å; V400-L504 HydrophobicContact CG1-CG 3.89Å; V400-L504 HydrophobicContact CG2-CG 4.07Å
401A98.1Very high94.7Very high0 Ų034 Ų340%019%0.188CC..EExtended strand (participates in β ladder)trans-149.3155.9171.200000112.7S371 Y372 L391 F392 T418 F422 I502S371-A401 CarbonylContact O-C 3.57Å; S371-A401 WeakPolarHBondContact O-CA 3.29Å; S371-A401 WeakPolarHBondContact O-CB 3.29Å; Y372-A401 HydrophobicContact CD2-CB 4.46Å; L391-A401 CarbonylContact C-O 3.53Å; L391-A401 WeakPolarHBondContact CA-O 3.38Å; F392-A401 HydrophobicContact CB-CB 4.1Å; F392-A401 HydrophobicContact CD2-CB 4.17Å; F392-A401 HydrophobicContact CG-CB 4.48Å; F392-A401 PolarHBondContact N-O 3.1Å; F392-A401 PolarHBondContact O-N 2.95Å; A401-T418 HydrophobicContact CB-CG2 3.46Å; A401-T418 VanDerWaalsContact CB-CG2 3.46Å; A401-F422 HydrophobicContact CB-CE2 3.65Å; A401-F422 HydrophobicContact CB-CZ 3.93Å; A401-I502 WeakPolarHBondContact O-CG2 3.25Å
402A98Very high94.6Very high0 Ų036.2 Ų36.20%021%0.207CC..EExtended strand (participates in β ladder)trans-129.6128.1172.200000109.6A370 S371 C380 V382 V390 L391 I502A370-A402 CarbonylContact C-O 3.57Å; A370-A402 WeakPolarHBondContact CA-O 3.49Å; S371-A402 PolarHBondContact N-O 2.88Å; S371-A402 PolarHBondContact O-N 2.81Å; C380-A402 HydrophobicContact CB-CB 3.83Å; V382-A402 HydrophobicContact CG1-CB 4.02Å; V382-A402 WeakPolarHBondContact CG1-O 3.16Å; V382-A402 HydrophobicContact CG2-CB 4.25Å; V390-A402 CarbonylContact O-C 3.22Å; V390-A402 WeakPolarHBondContact O-CA 3.4Å; L391-A402 HydrophobicContact CD2-CB 3.56Å; A402-I502 HydrophobicContact CB-CG2 4.27Å
403A98.4Very high94.6Very high0 Ų036.7 Ų36.70%021%0.212CC..EExtended strand (participates in β ladder)trans-124.7138.6-177.500000112.7A370 P389 V390 F392 V414 L415 T418A370-A403 HydrophobicContact CB-CB 3.75Å; P389-A403 WeakPolarHBondContact CA-O 3.27Å; V390-A403 HydrophobicContact CB-CB 4.49Å; V390-A403 PolarHBondContact N-O 2.79Å; V390-A403 PolarHBondContact O-N 3.08Å; F392-A403 HydrophobicContact CE2-CB 3.88Å; A403-V414 HydrophobicContact CB-CG2 4.45Å; A403-L415 HydrophobicContact CB-CD2 4.25Å; A403-T418 HydrophobicContact CB-CG2 4.43Å
404H98.2Very high94.7Very high6 Ų634.8 Ų34.83%0.02820%0.199CC..EExtended strand (participates in β ladder)trans-94.699.7172.7169.9-121.3000109.4Q349 H351 D369 V382 C387Q349-H404 HydrophobicContact CG-CB 4.11Å; Q349-H404 PolarHBondContact NE2-CD2 3.13Å; Q349-H404 PolarHBondContact NE2-CE1 3.44Å; Q349-H404 PolarHBondContact NE2-ND1 3.48Å; Q349-H404 PolarHBondContact NE2-NE2 3.2Å; H351-H404 AromaticContact CD2-CE1 3.6Å; H351-H404 AromaticContact CE1-CE1 3.87Å; H351-H404 AromaticContact CG-CE1 3.95Å; H351-H404 AromaticContact NE2-CE1 3.58Å; D369-H404 HydrophobicContact CB-CB 4.43Å; D369-H404 WeakPolarHBondContact O-CB 3.34Å; D369-H404 PolarHBondContact O-N 2.92Å; D369-H404 IonicContact OD1-CE1 3.99Å; D369-H404 IonicContact OD1-CG 2.99Å; D369-H404 IonicContact OD1-ND1 3.38Å; D369-H404 PolarHBondContact OD1-ND1 2.82Å; V382-H404 HydrophobicContact CB-CB 4.23Å; V382-H404 HydrophobicContact CG1-CB 4.2Å; C387-H404 WeakPolarHBondContact CB-NE2 3.44Å; C387-H404 PolarHBondContact SG-NE2 3.08Å
405A96.4Very high94.8Very high0 Ų034.6 Ų34.60%020%0.198CC..EExtended strand (participates in β ladder)trans-106.364.9-17200000111.7L388 V390 L410 V414 L415 I456L388-A405 HydrophobicContact CB-CB 4.24Å; L388-A405 WeakPolarHBondContact CB-O 3.32Å; L388-A405 HydrophobicContact CG-CB 4.47Å; L388-A405 PolarHBondContact N-O 2.72Å; L388-A405 WeakPolarHBondContact O-CA 3.39Å; L388-A405 WeakPolarHBondContact O-CB 3.45Å; L388-A405 PolarHBondContact O-N 3.01Å; V390-A405 HydrophobicContact CG2-CB 4.07Å; A405-L410 HydrophobicContact CB-CD1 4.41Å; A405-L410 HydrophobicContact CB-CD2 4.11Å; A405-L410 HydrophobicContact CB-CG 3.91Å; A405-L410 WeakPolarHBondContact O-CD1 3.46Å; A405-V414 HydrophobicContact CB-CG1 4.1Å; A405-L415 HydrophobicContact CB-CD2 3.86Å; A405-L415 HydrophobicContact CB-CG 4.47Å; A405-I456 WeakPolarHBondContact O-CD1 3.2Å
406G92.4Very high95.2Very high0 Ų031.5 Ų31.50%019%0.188CC..  trans-68.7165.5164.800000111.5R408 G409 L410G406-R408 PolarHBondContact O-N 2.84Å; G406-R408 VanDerWaalsContact O-N 3.08Å; G406-G409 PolarHBondContact O-N 3.5Å; G406-L410 WeakPolarHBondContact O-CB 3.31Å; G406-L410 PolarHBondContact O-N 3.4Å
407W90.3Very high95.7Very high91 Ų9131.7 Ų31.735%0.34518%0.177SC..Hα-helixtrans-52.5-39.1-176.469.3-85.2000113.7L410 C411 F442 V444W407-L410 CarbonylContact O-C 3.47Å; W407-L410 PolarHBondContact O-N 3.01Å; W407-C411 PolarHBondContact O-N 2.88Å; W407-C411 PolarHBondContact O-SG 3.38Å; W407-F442 HydrophobicContact CB-CE1 4.3Å; W407-F442 HydrophobicContact CB-CZ 3.77Å; W407-F442 HydrophobicContact CG-CZ 4.39Å; W407-V444 HydrophobicContact CB-CG1 3.78Å; W407-V444 HydrophobicContact CD2-CG1 4.39Å; W407-V444 HydrophobicContact CG-CG1 3.88Å
408R92.3Very high96.1Very high142 Ų14229.4 Ų29.454%0.53615%0.153SC..Hα-helixtrans-66.9-43.1177-65.6-175.3178.4130.9-2.8112.7H351 G406 L410 C411 A412H351-R408 HydrophobicContact CB-CB 4.08Å; G406-R408 PolarHBondContact O-N 2.84Å; G406-R408 VanDerWaalsContact O-N 3.08Å; R408-L410 VanDerWaalsContact C-N 3.35Å; R408-C411 PolarHBondContact O-N 2.96Å; R408-C411 VanDerWaalsContact O-N 3.07Å; R408-A412 WeakPolarHBondContact O-CB 3.37Å; R408-A412 PolarHBondContact O-N 3.03Å
409G94Very high96.3Very high0 Ų026.3 Ų26.30%013%0.134CC..Hα-helixtrans-66.3-39.5176.200000111.9H351 G352 G406 C411 A412 G413 V414H351-G409 PolarHBondContact O-N 3Å; G352-G409 WeakPolarHBondContact O-CA 3.48Å; G406-G409 PolarHBondContact O-N 3.5Å; G409-C411 PolarHBondContact O-N 3.07Å; G409-A412 PolarHBondContact O-N 2.85Å; G409-G413 PolarHBondContact O-N 2.68Å; G409-V414 PolarHBondContact O-N 3.24Å
410L94Very high96.3Very high11 Ų1129.4 Ų29.46%0.05816%0.157CC..Hα-helixtrans-67.2-15.6169.2-82173.7000114A405 G406 W407 R408 L415 I456 A460 R463A405-L410 HydrophobicContact CB-CD1 4.41Å; A405-L410 HydrophobicContact CB-CD2 4.11Å; A405-L410 HydrophobicContact CB-CG 3.91Å; A405-L410 WeakPolarHBondContact O-CD1 3.46Å; G406-L410 WeakPolarHBondContact O-CB 3.31Å; G406-L410 PolarHBondContact O-N 3.4Å; W407-L410 CarbonylContact O-C 3.47Å; W407-L410 PolarHBondContact O-N 3.01Å; R408-L410 VanDerWaalsContact C-N 3.35Å; L410-L415 HydrophobicContact CD2-CD1 3.51Å; L410-L415 HydrophobicContact CD2-CG 3.92Å; L410-I456 HydrophobicContact CD1-CD1 4.09Å; L410-I456 HydrophobicContact CD1-CG1 3.46Å; L410-I456 VanDerWaalsContact CD1-CG1 3.46Å; L410-A460 HydrophobicContact CD2-CB 4.21Å; L410-R463 PolarHBondContact O-NE 3.32Å; L410-R463 VanDerWaalsContact O-NE 3.1Å; L410-R463 PolarHBondContact O-NH1 3.06Å; L410-R463 PolarHBondContact O-NH2 2.63Å
411C92.7Very high96.4Very high92 Ų9230.1 Ų30.162%0.62216%0.162SC*.Hα-helixtrans-86.7-43.6166.1-70.10000109.4W407 R408 G409 G413 R463W407-C411 PolarHBondContact O-N 2.88Å; W407-C411 PolarHBondContact O-SG 3.38Å; R408-C411 PolarHBondContact O-N 2.96Å; R408-C411 VanDerWaalsContact O-N 3.07Å; G409-C411 PolarHBondContact O-N 3.07Å; C411-G413 PolarHBondContact O-N 3.35Å; C411-R463 PolarHBondContact O-NH1 3.24Å
412A95.1Very high96.4Very high49 Ų4930.9 Ų30.941%0.40517%0.165SC..Hα-helixtrans-66.7-29-172.200000114.6K353 R408 G409K353-A412 HydrophobicContact CB-CB 4.08Å; K353-A412 VanDerWaalsContact CD-O 3.25Å; K353-A412 WeakPolarHBondContact CD-O 3.34Å; R408-A412 WeakPolarHBondContact O-CB 3.37Å; R408-A412 PolarHBondContact O-N 3.03Å; G409-A412 PolarHBondContact O-N 2.85Å
413G97.3Very high96.3Very high10 Ų1035.3 Ų35.310%0.10320%0.202CC..THydrogen-bonded Turntrans120.416.6-179.300000115.4G409 C411 L415 E416 E417G409-G413 PolarHBondContact O-N 2.68Å; C411-G413 PolarHBondContact O-N 3.35Å; G413-L415 VanDerWaalsContact C-N 3.29Å; G413-L415 PolarHBondContact O-N 3Å; G413-E416 VanDerWaalsContact CA-OE2 3.3Å; G413-E416 WeakPolarHBondContact CA-OE2 3.4Å; G413-E416 PolarHBondContact O-N 3.19Å; G413-E417 WeakPolarHBondContact O-CB 3.33Å; G413-E417 PolarHBondContact O-N 2.9Å
414V98.5Very high96.2Very high0 Ų037.3 Ų37.30%021%0.213CC..Hα-helixtrans-61.4-36.3-168.872.10000113.2K353 D369 A370 A403 A405 G409 T418K353-V414 HydrophobicContact CB-CB 4.34Å; D369-V414 HydrophobicContact CB-CG2 4.09Å; A370-V414 HydrophobicContact CB-CG2 4.13Å; A403-V414 HydrophobicContact CB-CG2 4.45Å; A405-V414 HydrophobicContact CB-CG1 4.1Å; G409-V414 PolarHBondContact O-N 3.24Å; V414-T418 WeakPolarHBondContact O-CB 3.21Å; V414-T418 PolarHBondContact O-N 2.94Å; V414-T418 PolarHBondContact O-OG1 3.27Å
415L98.4Very high96.1Very high0 Ų041.5 Ų41.50%024%0.235CC..Hα-helixtrans-71.3-42-179.9-58.1-173.7000110.9V390 F392 A403 A405 L410 G413 T418 V419 A460 R463 L464V390-L415 HydrophobicContact CB-CD2 4.01Å; V390-L415 HydrophobicContact CG1-CD2 4.33Å; V390-L415 HydrophobicContact CG2-CD2 3.74Å; F392-L415 HydrophobicContact CE2-CD2 4.42Å; F392-L415 HydrophobicContact CZ-CD2 3.96Å; A403-L415 HydrophobicContact CB-CD2 4.25Å; A405-L415 HydrophobicContact CB-CD2 3.86Å; A405-L415 HydrophobicContact CB-CG 4.47Å; L410-L415 HydrophobicContact CD2-CD1 3.51Å; L410-L415 HydrophobicContact CD2-CG 3.92Å; G413-L415 VanDerWaalsContact C-N 3.29Å; G413-L415 PolarHBondContact O-N 3Å; L415-T418 PolarHBondContact O-N 2.91Å; L415-V419 WeakPolarHBondContact O-CG2 3.16Å; L415-V419 PolarHBondContact O-N 3.48Å; L415-A460 HydrophobicContact CD1-CB 3.97Å; L415-R463 HydrophobicContact CD1-CB 4.33Å; L415-L464 HydrophobicContact CB-CD2 4.11Å; L415-L464 HydrophobicContact CD1-CD1 4.38Å; L415-L464 HydrophobicContact CD1-CD2 4.18Å; L415-L464 HydrophobicContact CD1-CG 3.92Å
416E98.3Very high96.2Very high51 Ų5143.6 Ų43.624%0.23825%0.249CC..Hα-helixtrans-64.9-42.8178.1-60.893147.300111.4G413 T418 V419 S420 R463 V467G413-E416 VanDerWaalsContact CA-OE2 3.3Å; G413-E416 WeakPolarHBondContact CA-OE2 3.4Å; G413-E416 PolarHBondContact O-N 3.19Å; E416-T418 VanDerWaalsContact C-N 3.32Å; E416-V419 PolarHBondContact O-N 2.66Å; E416-S420 WeakPolarHBondContact O-CB 3.29Å; E416-S420 PolarHBondContact O-N 3.1Å; E416-R463 VanDerWaalsContact CD-CZ 3.43Å; E416-R463 VanDerWaalsContact OE1-CD 3.31Å; E416-R463 WeakPolarHBondContact OE1-CD 3.48Å; E416-R463 IonicContact OE1-CZ 3.85Å; E416-R463 IonicContact OE1-NE 3.79Å; E416-R463 PolarHBondContact OE1-NE 3.22Å; E416-R463 IonicContact OE1-NH1 3.16Å; E416-R463 PolarHBondContact OE1-NH1 3.49Å; E416-R463 IonicContact OE1-NH2 3.81Å; E416-R463 PolarHBondContact OE1-NH2 3.04Å; E416-R463 IonicContact OE2-CZ 2.76Å; E416-R463 IonicContact OE2-NE 3.87Å; E416-R463 PolarHBondContact OE2-NE 2.85Å; E416-R463 IonicContact OE2-NH2 2.89Å; E416-R463 PolarHBondContact OE2-NH2 3.35Å; E416-V467 HydrophobicContact CB-CG1 4.02Å; E416-V467 HydrophobicContact CG-CG1 3.43Å; E416-V467 VanDerWaalsContact CG-CG1 3.43Å
417E98.5Very high96.4Very high76 Ų7649 Ų4936%0.35527%0.274SS..Hα-helixtrans-68.1-32.8175.4-157.670.7-126.900111.9K353 V355 G413 S420 C421K353-E417 IonicContact NZ-OE2 3.12Å; V355-E417 HydrophobicContact CG2-CB 3.99Å; V355-E417 HydrophobicContact CG2-CG 3.79Å; G413-E417 WeakPolarHBondContact O-CB 3.33Å; G413-E417 PolarHBondContact O-N 2.9Å; E417-S420 PolarHBondContact O-OG 3.39Å; E417-S420 PolarHBondContact OE1-OG 3.26Å; E417-C421 PolarHBondContact O-SG 3.44Å
418T98.5Very high96.6Very high0 Ų047 Ų470%027%0.27CS..Hα-helixtrans-68.2-44.4174.5-57.30000110.9A370 F392 A401 A403 V414 L415 E416 S420 C421 F422A370-T418 HydrophobicContact CB-CG2 4.44Å; A370-T418 WeakPolarHBondContact CB-OG1 3.43Å; F392-T418 HydrophobicContact CD2-CG2 3.71Å; F392-T418 HydrophobicContact CE2-CG2 3.61Å; F392-T418 HydrophobicContact CG-CG2 4.34Å; F392-T418 HydrophobicContact CZ-CG2 4.17Å; A401-T418 HydrophobicContact CB-CG2 3.46Å; A401-T418 VanDerWaalsContact CB-CG2 3.46Å; A403-T418 HydrophobicContact CB-CG2 4.43Å; V414-T418 WeakPolarHBondContact O-CB 3.21Å; V414-T418 PolarHBondContact O-N 2.94Å; V414-T418 PolarHBondContact O-OG1 3.27Å; L415-T418 PolarHBondContact O-N 2.91Å; E416-T418 VanDerWaalsContact C-N 3.32Å; T418-S420 VanDerWaalsContact C-N 3.33Å; T418-S420 PolarHBondContact O-N 3.09Å; T418-C421 WeakPolarHBondContact O-CB 3.33Å; T418-C421 PolarHBondContact O-N 3.28Å; T418-F422 WeakPolarHBondContact O-CD2 3.38Å
419V98.4Very high96.8Very high10 Ų1040.2 Ų40.26%0.06125%0.245CC..Hα-helixtrans-63.5-39.3176.9167.60000111F392 L415 E416 C421 F422 P426 I429 L464 V467 V469F392-V419 HydrophobicContact CD1-CG2 4.36Å; F392-V419 HydrophobicContact CE1-CG2 3.84Å; L415-V419 WeakPolarHBondContact O-CG2 3.16Å; L415-V419 PolarHBondContact O-N 3.48Å; E416-V419 PolarHBondContact O-N 2.66Å; V419-C421 PolarHBondContact O-N 2.93Å; V419-C421 VanDerWaalsContact O-N 3.1Å; V419-F422 PolarHBondContact O-N 3.49Å; V419-F422 VanDerWaalsContact O-N 3.09Å; V419-P426 HydrophobicContact CG1-CB 4.16Å; V419-P426 HydrophobicContact CG1-CG 4.03Å; V419-I429 HydrophobicContact CG1-CD1 3.99Å; V419-L464 HydrophobicContact CG2-CD2 4.39Å; V419-V467 HydrophobicContact CB-CG2 4.34Å; V419-V467 HydrophobicContact CG1-CG2 4.18Å; V419-V467 HydrophobicContact CG2-CG2 4.16Å; V419-V469 HydrophobicContact CG1-CG2 4.28Å; V419-V469 HydrophobicContact CG2-CG2 3.79Å
420S98Very high97Very high77 Ų7742.1 Ų42.154%0.53826%0.255SS..THydrogen-bonded Turntrans-64.9-14.2178.476.70000114E416 E417 T418E416-S420 WeakPolarHBondContact O-CB 3.29Å; E416-S420 PolarHBondContact O-N 3.1Å; E417-S420 PolarHBondContact O-OG 3.39Å; E417-S420 PolarHBondContact OE1-OG 3.26Å; T418-S420 VanDerWaalsContact C-N 3.33Å; T418-S420 PolarHBondContact O-N 3.09Å
421C98Very high97.1Very high17 Ų1741.6 Ų41.612%0.11525%0.252CS..THydrogen-bonded Turntrans-78.5-20.6175-70.30000113.8Y372 E417 T418 V419Y372-C421 HydrophobicContact CD1-CB 4.45Å; Y372-C421 HydrophobicContact CD2-CB 3.86Å; Y372-C421 HydrophobicContact CE2-CB 4.42Å; Y372-C421 WeakPolarHBondContact CE2-O 3.26Å; Y372-C421 HydrophobicContact CG-CB 3.86Å; E417-C421 PolarHBondContact O-SG 3.44Å; T418-C421 WeakPolarHBondContact O-CB 3.33Å; T418-C421 PolarHBondContact O-N 3.28Å; V419-C421 PolarHBondContact O-N 2.93Å; V419-C421 VanDerWaalsContact O-N 3.1Å
422F98.1Very high97.2Very high16 Ų1640 Ų407%0.0723%0.233CC..  trans-74.3142.2178.3-76.3-110000110.7Y372 F392 N394 E399 A401 T418 V419 I429Y372-F422 HydrophobicContact CD2-CD2 4.1Å; Y372-F422 HydrophobicContact CD2-CE2 4.03Å; Y372-F422 HydrophobicContact CD2-CZ 4.47Å; Y372-F422 HydrophobicContact CE2-CD1 4.49Å; Y372-F422 HydrophobicContact CE2-CD2 4.18Å; Y372-F422 HydrophobicContact CE2-CE2 4.4Å; Y372-F422 HydrophobicContact CE2-CG 4.21Å; F392-F422 HydrophobicContact CB-CE2 3.92Å; F392-F422 HydrophobicContact CB-CZ 3.58Å; N394-F422 HydrophobicContact CB-CD1 4.31Å; N394-F422 HydrophobicContact CB-CE1 4.45Å; E399-F422 HydrophobicContact CB-CD1 3.51Å; E399-F422 HydrophobicContact CB-CE1 3.52Å; E399-F422 HydrophobicContact CB-CG 4.49Å; E399-F422 HydrophobicContact CB-CZ 4.5Å; E399-F422 HydrophobicContact CG-CD1 4.39Å; E399-F422 WeakPolarHBondContact OE1-CA 3.41Å; A401-F422 HydrophobicContact CB-CE2 3.65Å; A401-F422 HydrophobicContact CB-CZ 3.93Å; T418-F422 WeakPolarHBondContact O-CD2 3.38Å; V419-F422 PolarHBondContact O-N 3.49Å; V419-F422 VanDerWaalsContact O-N 3.09Å; F422-I429 HydrophobicContact CB-CD1 3.61Å; F422-I429 HydrophobicContact CB-CG1 4.44Å; F422-I429 HydrophobicContact CD1-CD1 3.97Å; F422-I429 HydrophobicContact CD1-CG1 4.08Å; F422-I429 HydrophobicContact CD2-CD1 4.03Å; F422-I429 HydrophobicContact CG-CD1 3.6Å; F422-I429 HydrophobicContact CG-CG1 4.24Å
423A97.2Very high97.3Very high94 Ų9437.8 Ų37.878%0.77721%0.214SC*.SBendtrans-79-27.7171.500000111.8E399E399-A423 PolarHBondContact OE1-N 3.47Å; E399-A423 PolarHBondContact OE2-N 2.8Å
424D95.3Very high97.1Very high42 Ų4237.3 Ų37.323%0.22521%0.21CC..SBendtrans-71.1160.5177-148.1-22.9000113N394 E399 N428N394-D424 HydrophobicContact CB-CB 4.11Å; N394-D424 PolarHBondContact ND2-OD2 3.13Å; E399-D424 PolarHBondContact OE2-N 3.21Å; D424-N428 WeakPolarHBondContact OD1-CB 3.49Å; D424-N428 PolarHBondContact OD1-ND2 2.88Å
425N96.8Very high97Very high93 Ų9337.3 Ų37.350%0.49721%0.21SC..  trans-68.9144.7174.6-68.3-31.8000110.5E427 N428N425-E427 HydrophobicContact CB-CG 3.9Å; N425-E427 PolarHBondContact O-N 3.2Å; N425-E427 VanDerWaalsContact O-N 3.1Å; N425-N428 WeakPolarHBondContact O-CB 3.38Å; N425-N428 PolarHBondContact O-N 2.73Å
426P97.3Very high96.9Very high44 Ų4437.3 Ų37.329%0.28621%0.21SC..G310 helixtrans-54.9-32.4180-29.436.1000115.4V419 N428 I429 V467 G468 V469V419-P426 HydrophobicContact CG1-CB 4.16Å; V419-P426 HydrophobicContact CG1-CG 4.03Å; P426-N428 PolarHBondContact O-N 2.86Å; P426-I429 WeakPolarHBondContact O-CB 3.49Å; P426-I429 PolarHBondContact O-N 3.03Å; P426-V467 WeakPolarHBondContact CB-O 3.4Å; P426-V467 VanDerWaalsContact CG-O 3.26Å; P426-V467 WeakPolarHBondContact CG-O 3.28Å; P426-G468 CarbonylContact C-O 3.55Å; P426-G468 VanDerWaalsContact C-O 3.31Å; P426-V469 HydrophobicContact CB-CG2 4.23Å
427E96.4Very high96.7Very high114 Ų11435 Ų3553%0.53320%0.199SC..G310 helixtrans-62-22.9176.164.3-169.5-152.500113.7N425 G468N425-E427 HydrophobicContact CB-CG 3.9Å; N425-E427 PolarHBondContact O-N 3.2Å; N425-E427 VanDerWaalsContact O-N 3.1Å; E427-G468 WeakPolarHBondContact CA-O 3.09Å; E427-G468 PolarHBondContact N-O 2.96Å
428N95.3Very high96.4Very high48 Ų4831.6 Ų31.626%0.25718%0.184SC..G310 helixtrans-93-4.7176.9-66.4-34.4000113N394 R395 D424 N425 P426N394-N428 CarbonylContact C-O 3.55Å; N394-N428 WeakPolarHBondContact CA-O 3.35Å; R395-N428 WeakPolarHBondContact CG-O 3.3Å; R395-N428 PolarHBondContact N-O 3.07Å; D424-N428 WeakPolarHBondContact OD1-CB 3.49Å; D424-N428 PolarHBondContact OD1-ND2 2.88Å; N425-N428 WeakPolarHBondContact O-CB 3.38Å; N425-N428 PolarHBondContact O-N 2.73Å; P426-N428 PolarHBondContact O-N 2.86Å
429I97.2Very high96Very high0 Ų034.1 Ų34.10%020%0.201CC..EExtended strand (participates in β ladder)trans-87.3133.9177.7-57.9175.3000108.7F392 C393 V419 F422 P426 V469F392-I429 HydrophobicContact CB-CG2 4.33Å; F392-I429 HydrophobicContact CD1-CG2 3.92Å; C393-I429 CarbonylContact O-C 3.45Å; C393-I429 WeakPolarHBondContact O-CA 3.25Å; V419-I429 HydrophobicContact CG1-CD1 3.99Å; F422-I429 HydrophobicContact CB-CD1 3.61Å; F422-I429 HydrophobicContact CB-CG1 4.44Å; F422-I429 HydrophobicContact CD1-CD1 3.97Å; F422-I429 HydrophobicContact CD1-CG1 4.08Å; F422-I429 HydrophobicContact CD2-CD1 4.03Å; F422-I429 HydrophobicContact CG-CD1 3.6Å; F422-I429 HydrophobicContact CG-CG1 4.24Å; P426-I429 WeakPolarHBondContact O-CB 3.49Å; P426-I429 PolarHBondContact O-N 3.03Å; I429-V469 HydrophobicContact CB-CG2 4.2Å; I429-V469 HydrophobicContact CG2-CG2 4.38Å
430L96.7Very high95.6Very high40 Ų4044.1 Ų44.121%0.20924%0.238CC..EExtended strand (participates in β ladder)trans-102.8137.2169.1-49.6101000108.3F392 C393 R395 Q471 F473F392-L430 WeakPolarHBondContact CA-O 3.43Å; C393-L430 PolarHBondContact N-O 3.39Å; C393-L430 VanDerWaalsContact N-O 3.08Å; C393-L430 PolarHBondContact O-N 2.75Å; R395-L430 HydrophobicContact CB-CD1 4.32Å; R395-L430 HydrophobicContact CG-CD1 3.71Å; R395-L430 HydrophobicContact CG-CG 4.34Å; L430-Q471 WeakPolarHBondContact CA-O 3.48Å; L430-Q471 HydrophobicContact CB-CB 4.48Å; L430-Q471 HydrophobicContact CD2-CB 4.29Å; L430-Q471 HydrophobicContact CG-CB 4.28Å; L430-F473 HydrophobicContact CB-CE2 4.24Å; L430-F473 HydrophobicContact CD2-CE2 3.81Å; L430-F473 HydrophobicContact CD2-CZ 4.29Å
431A96.9Very high95.1Very high1 Ų141.2 Ų41.21%0.00822%0.219CC..EExtended strand (participates in β ladder)trans-118.8137.817500000110.5V390 L391 F392 L464 V469 Q471 I472 F473V390-A431 HydrophobicContact CG1-CB 4.25Å; L391-A431 CarbonylContact O-C 3.56Å; L391-A431 WeakPolarHBondContact O-CA 3.39Å; F392-A431 HydrophobicContact CD1-CB 4.03Å; F392-A431 HydrophobicContact CE1-CB 4.07Å; A431-L464 HydrophobicContact CB-CD1 3.78Å; A431-L464 HydrophobicContact CB-CD2 4.44Å; A431-V469 HydrophobicContact CB-CG1 4.06Å; A431-Q471 PolarHBondContact N-O 3.33Å; A431-I472 HydrophobicContact CB-CG2 4.46Å; A431-I472 CarbonylContact O-C 3.47Å; A431-I472 WeakPolarHBondContact O-CA 3.41Å; A431-F473 PolarHBondContact O-N 3.26Å
432W96Very high94.7Very high59 Ų5941.1 Ų41.122%0.22322%0.216CC..EExtended strand (participates in β ladder)trans-117.2128172.6176.387.2000110.3V297 C299 V390 L391V297-W432 HydrophobicContact CG1-CH2 3.43Å; V297-W432 VanDerWaalsContact CG1-CH2 3.43Å; V297-W432 HydrophobicContact CG1-CZ2 3.59Å; C299-W432 HydrophobicContact CB-CH2 4.24Å; V390-W432 WeakPolarHBondContact CA-O 3.33Å; L391-W432 HydrophobicContact CB-CE3 4.15Å; L391-W432 HydrophobicContact CD1-CE3 3.65Å; L391-W432 HydrophobicContact CD1-CZ3 3.8Å; L391-W432 HydrophobicContact CG-CE3 3.8Å; L391-W432 HydrophobicContact CG-CZ3 4.14Å; L391-W432 PolarHBondContact N-O 2.79Å; L391-W432 PolarHBondContact O-N 3.08Å
433L95.4Very high94Very high1 Ų143.9 Ų43.91%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-96.6112.8179.4-54.6-171.6000109.2L388 V390 Y457 A460 R461 L464 I472 F473 G474 G475L388-L433 HydrophobicContact CD1-CB 4.11Å; L388-L433 HydrophobicContact CD2-CD2 4.27Å; V390-L433 HydrophobicContact CB-CD2 4.44Å; V390-L433 HydrophobicContact CG1-CD2 3.92Å; V390-L433 HydrophobicContact CG2-CD2 3.8Å; L433-Y457 HydrophobicContact CB-CD1 4.11Å; L433-Y457 HydrophobicContact CB-CE1 4.16Å; L433-Y457 HydrophobicContact CD1-CD1 4.03Å; L433-A460 HydrophobicContact CD2-CB 4.38Å; L433-R461 HydrophobicContact CD1-CG 3.85Å; L433-L464 HydrophobicContact CD2-CD1 4.13Å; L433-I472 HydrophobicContact CD1-CG2 3.85Å; L433-I472 HydrophobicContact CD2-CG2 4.12Å; L433-I472 HydrophobicContact CG-CG2 3.78Å; L433-F473 WeakPolarHBondContact CB-O 3.33Å; L433-F473 PolarHBondContact N-O 2.9Å; L433-G474 CarbonylContact O-C 3.57Å; L433-G475 PolarHBondContact O-N 2.93Å
434G94.7Very high93.2Very high1 Ų140.6 Ų40.61%0.0120%0.199CC..  trans-84-172.9-179.800000114.6P389 A436 Y457P389-G434 PolarHBondContact O-N 2.87Å; G434-A436 PolarHBondContact O-N 2.92Å; G434-Y457 VanDerWaalsContact O-CE1 3.3Å; G434-Y457 WeakPolarHBondContact O-CE1 3.37Å; G434-Y457 PolarHBondContact O-OH 3.13Å
435P95Very high92.2Very high0 Ų040.7 Ų40.70%021%0.21CC..SBendtrans-60.4130.2-179.8-22.432.9000112.3V297 P389 R477 T479 F486V297-P435 HydrophobicContact CG1-CG 4.07Å; P389-P435 WeakPolarHBondContact CD-O 3.49Å; P435-R477 HydrophobicContact CB-CB 4Å; P435-R477 HydrophobicContact CG-CB 4.12Å; P435-T479 HydrophobicContact CB-CG2 3.98Å; P435-F486 HydrophobicContact CB-CD1 4.22Å; P435-F486 HydrophobicContact CB-CD2 4.05Å; P435-F486 HydrophobicContact CB-CE1 3.96Å; P435-F486 HydrophobicContact CB-CE2 3.83Å; P435-F486 HydrophobicContact CB-CG 4.25Å; P435-F486 HydrophobicContact CB-CZ 3.77Å; P435-F486 HydrophobicContact CG-CD1 4.33Å; P435-F486 HydrophobicContact CG-CE1 3.62Å; P435-F486 HydrophobicContact CG-CE2 4.01Å; P435-F486 HydrophobicContact CG-CZ 3.45Å; P435-F486 VanDerWaalsContact CG-CZ 3.45Å
436A96.1Very high90.7Very high0 Ų037.6 Ų37.60%020%0.201CC..BIsolated β-bridgetrans-147.9174.9-17900000110.8L388 G434 G438 I456 Y457 R477 C478 T479L388-A436 HydrophobicContact CB-CB 4.01Å; L388-A436 HydrophobicContact CD1-CB 3.86Å; G434-A436 PolarHBondContact O-N 2.92Å; A436-G438 PolarHBondContact O-N 3.03Å; A436-I456 HydrophobicContact CB-CG2 3.99Å; A436-Y457 HydrophobicContact CB-CE1 3.99Å; A436-Y457 HydrophobicContact CB-CE2 4.34Å; A436-Y457 WeakPolarHBondContact CB-OH 2.87Å; A436-Y457 PolarHBondContact N-OH 3.29Å; A436-R477 PolarHBondContact N-O 3.18Å; A436-C478 WeakPolarHBondContact O-CA 3.44Å; A436-T479 PolarHBondContact O-N 3.38Å; A436-T479 PolarHBondContact O-OG1 2.86Å
437I95.5Very high88.7Confident1 Ų144.7 Ų44.71%0.00523%0.23CC..  trans-66.1127.2175.6-170.681.4000111.4D386 A441 F442 T479 Y480 R490D386-I437 HydrophobicContact CB-CB 3.81Å; D386-I437 HydrophobicContact CB-CD1 4.45Å; D386-I437 HydrophobicContact CB-CG2 4.11Å; D386-I437 VanDerWaalsContact O-CG2 3.24Å; D386-I437 WeakPolarHBondContact O-CG2 3.45Å; D386-I437 PolarHBondContact O-N 2.86Å; I437-A441 HydrophobicContact CD1-CB 4.11Å; I437-A441 HydrophobicContact CG1-CB 4.32Å; I437-F442 HydrophobicContact CB-CB 4.45Å; I437-F442 HydrophobicContact CB-CD2 4.31Å; I437-F442 HydrophobicContact CG1-CB 3.96Å; I437-F442 HydrophobicContact CG1-CD2 4.25Å; I437-F442 HydrophobicContact CG1-CG 4.49Å; I437-F442 HydrophobicContact CG2-CB 3.76Å; I437-F442 HydrophobicContact CG2-CD1 4.25Å; I437-F442 HydrophobicContact CG2-CD2 3.17Å; I437-F442 HydrophobicContact CG2-CE2 3.67Å; I437-F442 HydrophobicContact CG2-CG 3.48Å; I437-F442 VanDerWaalsContact CG2-CG 3.48Å; I437-F442 HydrophobicContact CG2-CZ 4.37Å; I437-T479 WeakPolarHBondContact CA-OG1 3.34Å; I437-T479 PolarHBondContact N-OG1 3.25Å; I437-Y480 HydrophobicContact CD1-CD2 4.08Å; I437-Y480 HydrophobicContact CD1-CG 4.26Å; I437-R490 HydrophobicContact CD1-CB 3.66Å; I437-R490 HydrophobicContact CD1-CG 3.99Å
438G90.9Very high87.1Confident5 Ų547.1 Ų47.15%0.05224%0.241CC..  trans-72.7158.8-179.900000113.9A436 R440 A441 F442 C478A436-G438 PolarHBondContact O-N 3.03Å; G438-R440 PolarHBondContact O-N 3.36Å; G438-R440 VanDerWaalsContact O-N 3.09Å; G438-A441 PolarHBondContact O-N 2.93Å; G438-F442 PolarHBondContact O-N 3.12Å; G438-C478 PolarHBondContact N-SG 2.85Å; G438-C478 VanDerWaalsContact N-SG 3.45Å
439P90.3Very high85.6Confident54 Ų5448 Ų4835%0.35126%0.262SS..THydrogen-bonded Turntrans-62-25.7-171.522.8-34.2000114.4A441 A454 D455P439-A441 VanDerWaalsContact C-N 3.27Å; P439-A441 PolarHBondContact O-N 3.24Å; P439-A454 WeakPolarHBondContact CA-O 3.45Å; P439-D455 HydrophobicContact CB-CB 3.87Å
440R89.6Confident84.5Confident219 Ų21952.2 Ų52.283%0.82628%0.284SS*.THydrogen-bonded Turntrans-76.5-11179-64.5-172-69.9169.1-2.7114G438G438-R440 PolarHBondContact O-N 3.36Å; G438-R440 VanDerWaalsContact O-N 3.09Å
441A89.1Confident83.6Confident17 Ų1757.2 Ų57.214%0.1430%0.304CS..THydrogen-bonded Turntrans-128.2-4.2-17600000113.5I437 G438 P439 E443 Y480I437-A441 HydrophobicContact CD1-CB 4.11Å; I437-A441 HydrophobicContact CG1-CB 4.32Å; G438-A441 PolarHBondContact O-N 2.93Å; P439-A441 VanDerWaalsContact C-N 3.27Å; P439-A441 PolarHBondContact O-N 3.24Å; A441-E443 PolarHBondContact O-N 2.83Å; A441-Y480 HydrophobicContact CB-CD1 3.89Å; A441-Y480 HydrophobicContact CB-CD2 3.99Å; A441-Y480 HydrophobicContact CB-CE1 4.33Å; A441-Y480 HydrophobicContact CB-CE2 4.42Å; A441-Y480 HydrophobicContact CB-CG 3.7Å
442F88.9Confident83Confident14 Ų1463.4 Ų63.46%0.06133%0.328CS..  trans-89.586.7-175.2-172.3-139.5000112.9W407 I437 G438 V444 L453 A454 I456W407-F442 HydrophobicContact CB-CE1 4.3Å; W407-F442 HydrophobicContact CB-CZ 3.77Å; W407-F442 HydrophobicContact CG-CZ 4.39Å; I437-F442 HydrophobicContact CB-CB 4.45Å; I437-F442 HydrophobicContact CB-CD2 4.31Å; I437-F442 HydrophobicContact CG1-CB 3.96Å; I437-F442 HydrophobicContact CG1-CD2 4.25Å; I437-F442 HydrophobicContact CG1-CG 4.49Å; I437-F442 HydrophobicContact CG2-CB 3.76Å; I437-F442 HydrophobicContact CG2-CD1 4.25Å; I437-F442 HydrophobicContact CG2-CD2 3.17Å; I437-F442 HydrophobicContact CG2-CE2 3.67Å; I437-F442 HydrophobicContact CG2-CG 3.48Å; I437-F442 VanDerWaalsContact CG2-CG 3.48Å; I437-F442 HydrophobicContact CG2-CZ 4.37Å; G438-F442 PolarHBondContact O-N 3.12Å; F442-V444 HydrophobicContact CD1-CG1 4.11Å; F442-V444 HydrophobicContact CD2-CG1 4.49Å; F442-V444 HydrophobicContact CE1-CG1 3.62Å; F442-V444 HydrophobicContact CE2-CG1 4.08Å; F442-V444 HydrophobicContact CZ-CG1 3.65Å; F442-L453 WeakPolarHBondContact O-CA 3.15Å; F442-A454 WeakPolarHBondContact CB-O 3.44Å; F442-A454 HydrophobicContact CD1-CB 3.63Å; F442-A454 WeakPolarHBondContact CD1-O 3.4Å; F442-A454 HydrophobicContact CE1-CB 3.98Å; F442-A454 PolarHBondContact O-N 3.47Å; F442-I456 HydrophobicContact CD1-CB 3.97Å; F442-I456 HydrophobicContact CE1-CB 3.76Å; F442-I456 HydrophobicContact CE1-CD1 3.87Å; F442-I456 HydrophobicContact CE1-CG1 3.96Å; F442-I456 HydrophobicContact CZ-CB 4.5Å; F442-I456 HydrophobicContact CZ-CD1 3.77Å; F442-I456 HydrophobicContact CZ-CG1 4.36Å
443E83.4Confident82.7Confident75 Ų7565.8 Ų65.835%0.3535%0.345SS..EExtended strand (participates in β ladder)trans-80.2125.5172.2-51.5174.6165.200111.7A441 K451 Y452 L453 R490A441-E443 PolarHBondContact O-N 2.83Å; E443-K451 HydrophobicContact CB-CB 4.5Å; E443-K451 HydrophobicContact CB-CD 4.38Å; E443-K451 VanDerWaalsContact OE2-CD 3.32Å; E443-K451 WeakPolarHBondContact OE2-CD 3.46Å; E443-K451 IonicContact OE2-NZ 2.97Å; E443-K451 PolarHBondContact OE2-NZ 3.02Å; E443-Y452 CarbonylContact C-O 3.47Å; E443-Y452 VanDerWaalsContact CA-O 3.25Å; E443-Y452 WeakPolarHBondContact CA-O 3.38Å; E443-L453 HydrophobicContact CG-CD2 4.18Å; E443-R490 PolarHBondContact O-NH2 3.28Å; E443-R490 IonicContact OE2-CZ 3.76Å; E443-R490 IonicContact OE2-NH1 2.98Å; E443-R490 PolarHBondContact OE2-NH1 2.98Å
444V81.2Confident82.4Confident24 Ų2466.5 Ų66.515%0.14535%0.351CS..EExtended strand (participates in β ladder)trans-112.8141.8169.8-68.20000109.9W407 F442 K451 Y452 A454W407-V444 HydrophobicContact CB-CG1 3.78Å; W407-V444 HydrophobicContact CD2-CG1 4.39Å; W407-V444 HydrophobicContact CG-CG1 3.88Å; F442-V444 HydrophobicContact CD1-CG1 4.11Å; F442-V444 HydrophobicContact CD2-CG1 4.49Å; F442-V444 HydrophobicContact CE1-CG1 3.62Å; F442-V444 HydrophobicContact CE2-CG1 4.08Å; F442-V444 HydrophobicContact CZ-CG1 3.65Å; V444-K451 WeakPolarHBondContact O-CA 3.21Å; V444-Y452 WeakPolarHBondContact CG2-O 2.93Å; V444-Y452 PolarHBondContact N-O 2.87Å; V444-Y452 PolarHBondContact O-N 2.86Å; V444-A454 HydrophobicContact CG1-CB 4.14Å; V444-A454 HydrophobicContact CG2-CB 3.75Å
445G74Confident82.4Confident44 Ų4469 Ų6945%0.45436%0.364SS..EExtended strand (participates in β ladder)trans-84.3132.3178.500000111.4
446G64Low82.4Confident29 Ų2969 Ų6930%0.29936%0.364SS..  trans-84168.7169.200000112.6H448 G449 D450G446-H448 PolarHBondContact O-N 2.89Å; G446-G449 PolarHBondContact O-N 3.47Å; G446-D450 PolarHBondContact N-O 2.84Å
447E56.3Low82.3Confident193 Ų19369.8 Ų69.890%0.90237%0.367SS*.THydrogen-bonded Turntrans-60.3-18.5-177.5-68.6-172.2155.200114.3
448H62.2Low82.3Confident164 Ų16475 Ų7576%0.75939%0.392SS*.THydrogen-bonded Turntrans-111.217-177.8-61-37.5000114.4G446 D450G446-H448 PolarHBondContact O-N 2.89Å; H448-D450 VanDerWaalsContact C-N 3.26Å; H448-D450 PolarHBondContact O-N 2.88Å
449G64.8Low82.5Confident67 Ų6778.3 Ų78.369%0.69141%0.407SS*.SBendtrans84.3-6.317800000114.8G446G446-G449 PolarHBondContact O-N 3.47Å
450D73.6Confident82.8Confident89 Ų8975.7 Ų75.748%0.47639%0.391SS..  trans-65146.1169.4-64-36.1000110.9G446 H448 Y452G446-D450 PolarHBondContact N-O 2.84Å; H448-D450 VanDerWaalsContact C-N 3.26Å; H448-D450 PolarHBondContact O-N 2.88Å; D450-Y452 HydrophobicContact CB-CE2 3.67Å
451K78.1Confident83.1Confident144 Ų14469.4 Ų69.463%0.62637%0.367SS*.EExtended strand (participates in β ladder)trans-110.6130.1175-69.2-175.9173.7-173.60110.3E443 V444E443-K451 HydrophobicContact CB-CB 4.5Å; E443-K451 HydrophobicContact CB-CD 4.38Å; E443-K451 VanDerWaalsContact OE2-CD 3.32Å; E443-K451 WeakPolarHBondContact OE2-CD 3.46Å; E443-K451 IonicContact OE2-NZ 2.97Å; E443-K451 PolarHBondContact OE2-NZ 3.02Å; V444-K451 WeakPolarHBondContact O-CA 3.21Å
452Y84.7Confident83.4Confident131 Ų13173.3 Ų73.351%0.51438%0.382SS..EExtended strand (participates in β ladder)trans-113.8148.1178.4-62.4-89.2000110.1E443 V444 D450E443-Y452 CarbonylContact C-O 3.47Å; E443-Y452 VanDerWaalsContact CA-O 3.25Å; E443-Y452 WeakPolarHBondContact CA-O 3.38Å; V444-Y452 WeakPolarHBondContact CG2-O 2.93Å; V444-Y452 PolarHBondContact N-O 2.87Å; V444-Y452 PolarHBondContact O-N 2.86Å; D450-Y452 HydrophobicContact CB-CE2 3.67Å
453L89.5Confident83.8Confident110 Ų11074.9 Ų74.958%0.57639%0.388SS*.EExtended strand (participates in β ladder)trans-80.6134.1164.3-70.3176.5000109F442 E443F442-L453 WeakPolarHBondContact O-CA 3.15Å; E443-L453 HydrophobicContact CG-CD2 4.18Å
454A89.2Confident84.5Confident16 Ų1671.3 Ų71.313%0.13237%0.371CS..  trans-122.2147177.100000111P439 F442 V444 L459P439-A454 WeakPolarHBondContact CA-O 3.45Å; F442-A454 WeakPolarHBondContact CB-O 3.44Å; F442-A454 HydrophobicContact CD1-CB 3.63Å; F442-A454 WeakPolarHBondContact CD1-O 3.4Å; F442-A454 HydrophobicContact CE1-CB 3.98Å; F442-A454 PolarHBondContact O-N 3.47Å; V444-A454 HydrophobicContact CG1-CB 4.14Å; V444-A454 HydrophobicContact CG2-CB 3.75Å; A454-L459 HydrophobicContact CB-CD1 4.1Å
455D93.8Very high85.2Confident53 Ų5372.8 Ų72.828%0.28339%0.386SS..  trans-95.996.6168.2-171.2-28.3000108.9P439 Y457 Q458 L459P439-D455 HydrophobicContact CB-CB 3.87Å; D455-Y457 PolarHBondContact O-N 3.47Å; D455-Y457 WeakPolarHBondContact OD1-CB 3.07Å; D455-Y457 PolarHBondContact OD1-N 3.15Å; D455-Q458 HydrophobicContact CB-CB 3.81Å; D455-Q458 PolarHBondContact O-N 2.82Å; D455-Q458 PolarHBondContact OD1-N 3.43Å; D455-L459 WeakPolarHBondContact O-CB 3.17Å; D455-L459 VanDerWaalsContact O-CG 3.25Å; D455-L459 WeakPolarHBondContact O-CG 3.46Å; D455-L459 PolarHBondContact O-N 2.93Å
456I94.6Very high86.3Confident1 Ų177.2 Ų77.21%0.00540%0.399CS..Hα-helixtrans-62.5-31-177.2-158.2169.9000112.1L388 A405 L410 A436 F442 A460L388-I456 HydrophobicContact CB-CD1 3.81Å; L388-I456 HydrophobicContact CB-CG1 4.11Å; L388-I456 HydrophobicContact CD2-CG1 4.41Å; A405-I456 WeakPolarHBondContact O-CD1 3.2Å; L410-I456 HydrophobicContact CD1-CD1 4.09Å; L410-I456 HydrophobicContact CD1-CG1 3.46Å; L410-I456 VanDerWaalsContact CD1-CG1 3.46Å; A436-I456 HydrophobicContact CB-CG2 3.99Å; F442-I456 HydrophobicContact CD1-CB 3.97Å; F442-I456 HydrophobicContact CE1-CB 3.76Å; F442-I456 HydrophobicContact CE1-CD1 3.87Å; F442-I456 HydrophobicContact CE1-CG1 3.96Å; F442-I456 HydrophobicContact CZ-CB 4.5Å; F442-I456 HydrophobicContact CZ-CD1 3.77Å; F442-I456 HydrophobicContact CZ-CG1 4.36Å; I456-A460 WeakPolarHBondContact O-CB 3.06Å; I456-A460 PolarHBondContact O-N 3.32Å
457Y95.2Very high87.8Confident15 Ų1578 Ų786%0.05940%0.398CS..Hα-helixtrans-71.3-47.3177.7-68.4-58.5000111.2L388 L433 G434 A436 D455 L459 A460 R461 G475 R477L388-Y457 HydrophobicContact CD1-CD1 3.79Å; L388-Y457 HydrophobicContact CD1-CE1 3.34Å; L388-Y457 HydrophobicContact CD2-CD1 4.42Å; L433-Y457 HydrophobicContact CB-CD1 4.11Å; L433-Y457 HydrophobicContact CB-CE1 4.16Å; L433-Y457 HydrophobicContact CD1-CD1 4.03Å; G434-Y457 VanDerWaalsContact O-CE1 3.3Å; G434-Y457 WeakPolarHBondContact O-CE1 3.37Å; G434-Y457 PolarHBondContact O-OH 3.13Å; A436-Y457 HydrophobicContact CB-CE1 3.99Å; A436-Y457 HydrophobicContact CB-CE2 4.34Å; A436-Y457 WeakPolarHBondContact CB-OH 2.87Å; A436-Y457 PolarHBondContact N-OH 3.29Å; D455-Y457 PolarHBondContact O-N 3.47Å; D455-Y457 WeakPolarHBondContact OD1-CB 3.07Å; D455-Y457 PolarHBondContact OD1-N 3.15Å; Y457-L459 VanDerWaalsContact C-N 3.33Å; Y457-L459 PolarHBondContact O-N 2.92Å; Y457-A460 PolarHBondContact O-N 2.82Å; Y457-R461 WeakPolarHBondContact O-CB 3.36Å; Y457-R461 VanDerWaalsContact O-CG 3.29Å; Y457-R461 WeakPolarHBondContact O-CG 3.27Å; Y457-R461 PolarHBondContact O-N 2.88Å; Y457-G475 WeakPolarHBondContact CD2-O 3.29Å; Y457-R477 PolarHBondContact OH-O 3.1Å
458Q94.3Very high89.8Confident112 Ų11270.1 Ų70.152%0.52337%0.369SS..Hα-helixtrans-61.8-42.7177-168.417839.700111.5D455 R461 Q462D455-Q458 HydrophobicContact CB-CB 3.81Å; D455-Q458 PolarHBondContact O-N 2.82Å; D455-Q458 PolarHBondContact OD1-N 3.43Å; Q458-R461 PolarHBondContact O-N 2.81Å; Q458-Q462 WeakPolarHBondContact O-CG 3.35Å; Q458-Q462 PolarHBondContact O-N 3.31Å
459L95Very high91.4Very high73 Ų7362.3 Ų62.338%0.38233%0.332SS..Hα-helixtrans-60.6-47.9176.6-71.3170.6000111.8A454 D455 Y457 R461 Q462 R463A454-L459 HydrophobicContact CB-CD1 4.1Å; D455-L459 WeakPolarHBondContact O-CB 3.17Å; D455-L459 VanDerWaalsContact O-CG 3.25Å; D455-L459 WeakPolarHBondContact O-CG 3.46Å; D455-L459 PolarHBondContact O-N 2.93Å; Y457-L459 VanDerWaalsContact C-N 3.33Å; Y457-L459 PolarHBondContact O-N 2.92Å; L459-R461 VanDerWaalsContact C-N 3.34Å; L459-R461 PolarHBondContact O-N 3.5Å; L459-Q462 PolarHBondContact O-N 3.5Å; L459-R463 WeakPolarHBondContact O-CB 3.3Å; L459-R463 WeakPolarHBondContact O-CG 3.4Å; L459-R463 PolarHBondContact O-N 2.75Å
460A96.8Very high92.6Very high0 Ų066.4 Ų66.40%033%0.334CS..Hα-helixtrans-61.8-42177.500000112.1L388 L410 L415 L433 I456 Y457 Q462 R463 L464L388-A460 HydrophobicContact CD2-CB 3.35Å; L410-A460 HydrophobicContact CD2-CB 4.21Å; L415-A460 HydrophobicContact CD1-CB 3.97Å; L433-A460 HydrophobicContact CD2-CB 4.38Å; I456-A460 WeakPolarHBondContact O-CB 3.06Å; I456-A460 PolarHBondContact O-N 3.32Å; Y457-A460 PolarHBondContact O-N 2.82Å; A460-Q462 PolarHBondContact O-N 3.34Å; A460-R463 PolarHBondContact O-N 2.95Å; A460-L464 WeakPolarHBondContact O-CB 3.26Å; A460-L464 VanDerWaalsContact O-CG 3.29Å; A460-L464 WeakPolarHBondContact O-CG 3.23Å; A460-L464 PolarHBondContact O-N 3.45Å
461R96.8Very high93.5Very high86 Ų8665.3 Ų65.333%0.32533%0.326SS..Hα-helixtrans-59.2-46176.2-74.1177.2-179.5-73.3-2112.2L433 Y457 Q458 L459 L464 A465 I472 G474L433-R461 HydrophobicContact CD1-CG 3.85Å; Y457-R461 WeakPolarHBondContact O-CB 3.36Å; Y457-R461 VanDerWaalsContact O-CG 3.29Å; Y457-R461 WeakPolarHBondContact O-CG 3.27Å; Y457-R461 PolarHBondContact O-N 2.88Å; Q458-R461 PolarHBondContact O-N 2.81Å; L459-R461 VanDerWaalsContact C-N 3.34Å; L459-R461 PolarHBondContact O-N 3.5Å; R461-L464 PolarHBondContact O-N 3.22Å; R461-A465 VanDerWaalsContact O-CB 3.32Å; R461-A465 WeakPolarHBondContact O-CB 3.32Å; R461-A465 PolarHBondContact O-N 3.49Å; R461-I472 HydrophobicContact CB-CD1 4.37Å; R461-I472 HydrophobicContact CG-CD1 4.39Å; R461-I472 HydrophobicContact CG-CG2 4.06Å; R461-I472 PolarHBondContact NH1-O 3Å; R461-G474 PolarHBondContact NH2-O 2.98Å
462Q95.9Very high94.2Very high99 Ų9959.6 Ų59.646%0.46330%0.302SS..Hα-helixtrans-63-43.3177.6-72.5173.2-5.700111.8Q458 L459 A460 A465 N466Q458-Q462 WeakPolarHBondContact O-CG 3.35Å; Q458-Q462 PolarHBondContact O-N 3.31Å; L459-Q462 PolarHBondContact O-N 3.5Å; A460-Q462 PolarHBondContact O-N 3.34Å; Q462-A465 PolarHBondContact O-N 3Å; Q462-N466 WeakPolarHBondContact O-CB 3.18Å; Q462-N466 PolarHBondContact O-N 3.48Å; Q462-N466 PolarHBondContact O-ND2 3.24Å; Q462-N466 PolarHBondContact O-OD1 3.39Å
463R96.8Very high94.6Very high47 Ų4758 Ų5818%0.17730%0.298CS..Hα-helixtrans-62.9-45.7179.3-65.8-100.3-67-168.74.5111.9L410 C411 L415 E416 L459 A460 N466 V467L410-R463 PolarHBondContact O-NE 3.32Å; L410-R463 VanDerWaalsContact O-NE 3.1Å; L410-R463 PolarHBondContact O-NH1 3.06Å; L410-R463 PolarHBondContact O-NH2 2.63Å; C411-R463 PolarHBondContact O-NH1 3.24Å; L415-R463 HydrophobicContact CD1-CB 4.33Å; E416-R463 VanDerWaalsContact CD-CZ 3.43Å; E416-R463 VanDerWaalsContact OE1-CD 3.31Å; E416-R463 WeakPolarHBondContact OE1-CD 3.48Å; E416-R463 IonicContact OE1-CZ 3.85Å; E416-R463 IonicContact OE1-NE 3.79Å; E416-R463 PolarHBondContact OE1-NE 3.22Å; E416-R463 IonicContact OE1-NH1 3.16Å; E416-R463 PolarHBondContact OE1-NH1 3.49Å; E416-R463 IonicContact OE1-NH2 3.81Å; E416-R463 PolarHBondContact OE1-NH2 3.04Å; E416-R463 IonicContact OE2-CZ 2.76Å; E416-R463 IonicContact OE2-NE 3.87Å; E416-R463 PolarHBondContact OE2-NE 2.85Å; E416-R463 IonicContact OE2-NH2 2.89Å; E416-R463 PolarHBondContact OE2-NH2 3.35Å; L459-R463 WeakPolarHBondContact O-CB 3.3Å; L459-R463 WeakPolarHBondContact O-CG 3.4Å; L459-R463 PolarHBondContact O-N 2.75Å; A460-R463 PolarHBondContact O-N 2.95Å; R463-N466 PolarHBondContact O-N 2.97Å; R463-V467 PolarHBondContact O-N 2.83Å
464L97.7Very high94.6Very high0 Ų054 Ų540%028%0.283CS..Hα-helixtrans-63.5-46176.6-73.2170000112F392 L415 V419 A431 L433 A460 R461 N466 V467 G468 V469 I472F392-L464 HydrophobicContact CE1-CD2 3.53Å; F392-L464 HydrophobicContact CZ-CD2 3.95Å; L415-L464 HydrophobicContact CB-CD2 4.11Å; L415-L464 HydrophobicContact CD1-CD1 4.38Å; L415-L464 HydrophobicContact CD1-CD2 4.18Å; L415-L464 HydrophobicContact CD1-CG 3.92Å; V419-L464 HydrophobicContact CG2-CD2 4.39Å; A431-L464 HydrophobicContact CB-CD1 3.78Å; A431-L464 HydrophobicContact CB-CD2 4.44Å; L433-L464 HydrophobicContact CD2-CD1 4.13Å; A460-L464 WeakPolarHBondContact O-CB 3.26Å; A460-L464 VanDerWaalsContact O-CG 3.29Å; A460-L464 WeakPolarHBondContact O-CG 3.23Å; A460-L464 PolarHBondContact O-N 3.45Å; R461-L464 PolarHBondContact O-N 3.22Å; L464-N466 VanDerWaalsContact C-N 3.28Å; L464-N466 PolarHBondContact O-N 2.82Å; L464-V467 WeakPolarHBondContact O-CG2 3.19Å; L464-V467 PolarHBondContact O-N 2.83Å; L464-V467 VanDerWaalsContact O-N 3.14Å; L464-G468 PolarHBondContact O-N 2.54Å; L464-V469 HydrophobicContact CB-CB 4.13Å; L464-V469 HydrophobicContact CB-CG1 4.45Å; L464-V469 HydrophobicContact CD2-CB 4.39Å; L464-V469 HydrophobicContact CD2-CG1 4.49Å; L464-V469 HydrophobicContact CD2-CG2 4.45Å; L464-V469 PolarHBondContact O-N 2.85Å; L464-I472 HydrophobicContact CB-CD1 3.51Å; L464-I472 HydrophobicContact CB-CG1 4.27Å; L464-I472 HydrophobicContact CD1-CD1 3.95Å; L464-I472 HydrophobicContact CD1-CG1 4.14Å; L464-I472 HydrophobicContact CD1-CG2 4.03Å; L464-I472 HydrophobicContact CG-CD1 4.38Å
465A95.8Very high94.7Very high55 Ų5554 Ų5446%0.45529%0.285SS..Hα-helixtrans-60.6-38.5176.700000112R461 Q462 V467 G468R461-A465 VanDerWaalsContact O-CB 3.32Å; R461-A465 WeakPolarHBondContact O-CB 3.32Å; R461-A465 PolarHBondContact O-N 3.49Å; Q462-A465 PolarHBondContact O-N 3Å; A465-V467 PolarHBondContact O-N 2.82Å; A465-G468 PolarHBondContact O-N 3.14Å
466N96.6Very high94.5Very high138 Ų13857.2 Ų57.274%0.73830%0.302SS*.Hα-helixtrans-64.4-22.8178.2-74.3-16.3000113.9Q462 R463 L464Q462-N466 WeakPolarHBondContact O-CB 3.18Å; Q462-N466 PolarHBondContact O-N 3.48Å; Q462-N466 PolarHBondContact O-ND2 3.24Å; Q462-N466 PolarHBondContact O-OD1 3.39Å; R463-N466 PolarHBondContact O-N 2.97Å; L464-N466 VanDerWaalsContact C-N 3.28Å; L464-N466 PolarHBondContact O-N 2.82Å
467V97Very high94.4Very high44 Ų4459.8 Ų59.827%0.26731%0.312SS..THydrogen-bonded Turntrans-98.66.7173.5-63.50000113.4E416 V419 P426 R463 L464 A465 V469E416-V467 HydrophobicContact CB-CG1 4.02Å; E416-V467 HydrophobicContact CG-CG1 3.43Å; E416-V467 VanDerWaalsContact CG-CG1 3.43Å; V419-V467 HydrophobicContact CB-CG2 4.34Å; V419-V467 HydrophobicContact CG1-CG2 4.18Å; V419-V467 HydrophobicContact CG2-CG2 4.16Å; P426-V467 WeakPolarHBondContact CB-O 3.4Å; P426-V467 VanDerWaalsContact CG-O 3.26Å; P426-V467 WeakPolarHBondContact CG-O 3.28Å; R463-V467 PolarHBondContact O-N 2.83Å; L464-V467 WeakPolarHBondContact O-CG2 3.19Å; L464-V467 PolarHBondContact O-N 2.83Å; L464-V467 VanDerWaalsContact O-N 3.14Å; A465-V467 PolarHBondContact O-N 2.82Å; V467-V469 HydrophobicContact CG2-CG2 4.29Å
468G96.7Very high94.3Very high28 Ų2860.2 Ų60.229%0.28932%0.316SS..THydrogen-bonded Turntrans92.9717500000115.4P426 E427 L464 A465 E470P426-G468 CarbonylContact C-O 3.55Å; P426-G468 VanDerWaalsContact C-O 3.31Å; E427-G468 WeakPolarHBondContact CA-O 3.09Å; E427-G468 PolarHBondContact N-O 2.96Å; L464-G468 PolarHBondContact O-N 2.54Å; A465-G468 PolarHBondContact O-N 3.14Å; G468-E470 PolarHBondContact O-N 3.33Å
469V97.1Very high94.4Very high0 Ų054.9 Ų54.90%029%0.292CS..  trans-82.6105.5173.8179.10000109.2V419 P426 I429 A431 L464 V467 I472V419-V469 HydrophobicContact CG1-CG2 4.28Å; V419-V469 HydrophobicContact CG2-CG2 3.79Å; P426-V469 HydrophobicContact CB-CG2 4.23Å; I429-V469 HydrophobicContact CB-CG2 4.2Å; I429-V469 HydrophobicContact CG2-CG2 4.38Å; A431-V469 HydrophobicContact CB-CG1 4.06Å; L464-V469 HydrophobicContact CB-CB 4.13Å; L464-V469 HydrophobicContact CB-CG1 4.45Å; L464-V469 HydrophobicContact CD2-CB 4.39Å; L464-V469 HydrophobicContact CD2-CG1 4.49Å; L464-V469 HydrophobicContact CD2-CG2 4.45Å; L464-V469 PolarHBondContact O-N 2.85Å; V467-V469 HydrophobicContact CG2-CG2 4.29Å; V469-I472 HydrophobicContact CG1-CG1 4.2Å
470E89.3Confident94.4Very high153 Ų15355.9 Ų55.972%0.71529%0.291SS*.  trans-94.1-28.2-175.6-61-173.6166.100113.5G468 I472G468-E470 PolarHBondContact O-N 3.33Å; E470-I472 PolarHBondContact O-N 2.92Å
471Q92.8Very high94.2Very high66 Ų6659.8 Ų59.831%0.30832%0.315SS..EExtended strand (participates in β ladder)trans-92.789.4-174.6-63.7-73.5-75.600110.6R395 L430 A431 F473R395-Q471 VanDerWaalsContact NH2-CG 3.32Å; L430-Q471 WeakPolarHBondContact CA-O 3.48Å; L430-Q471 HydrophobicContact CB-CB 4.48Å; L430-Q471 HydrophobicContact CD2-CB 4.29Å; L430-Q471 HydrophobicContact CG-CB 4.28Å; A431-Q471 PolarHBondContact N-O 3.33Å; Q471-F473 HydrophobicContact CB-CE2 3.86Å; Q471-F473 HydrophobicContact CB-CZ 4.2Å
472I93Very high94.1Very high24 Ų2457.9 Ų57.912%0.12331%0.309CS..EExtended strand (participates in β ladder)trans-118.9116-175.1-48.9167.8000111A431 L433 R461 L464 V469 E470A431-I472 HydrophobicContact CB-CG2 4.46Å; A431-I472 CarbonylContact O-C 3.47Å; A431-I472 WeakPolarHBondContact O-CA 3.41Å; L433-I472 HydrophobicContact CD1-CG2 3.85Å; L433-I472 HydrophobicContact CD2-CG2 4.12Å; L433-I472 HydrophobicContact CG-CG2 3.78Å; R461-I472 HydrophobicContact CB-CD1 4.37Å; R461-I472 HydrophobicContact CG-CD1 4.39Å; R461-I472 HydrophobicContact CG-CG2 4.06Å; R461-I472 PolarHBondContact NH1-O 3Å; L464-I472 HydrophobicContact CB-CD1 3.51Å; L464-I472 HydrophobicContact CB-CG1 4.27Å; L464-I472 HydrophobicContact CD1-CD1 3.95Å; L464-I472 HydrophobicContact CD1-CG1 4.14Å; L464-I472 HydrophobicContact CD1-CG2 4.03Å; L464-I472 HydrophobicContact CG-CD1 4.38Å; V469-I472 HydrophobicContact CG1-CG1 4.2Å; E470-I472 PolarHBondContact O-N 2.92Å
473F92.2Very high93.8Very high98 Ų9856.9 Ų56.943%0.4331%0.308SS..EExtended strand (participates in β ladder)trans-109.5169.8-175.3-53.6-88.3000112.4L430 A431 L433 Q471L430-F473 HydrophobicContact CB-CE2 4.24Å; L430-F473 HydrophobicContact CD2-CE2 3.81Å; L430-F473 HydrophobicContact CD2-CZ 4.29Å; A431-F473 PolarHBondContact O-N 3.26Å; L433-F473 WeakPolarHBondContact CB-O 3.33Å; L433-F473 PolarHBondContact N-O 2.9Å; Q471-F473 HydrophobicContact CB-CE2 3.86Å; Q471-F473 HydrophobicContact CB-CZ 4.2Å
474G91Very high93.5Very high26 Ų2662.1 Ų62.127%0.26833%0.334SS..EExtended strand (participates in β ladder)trans71-153.6178.700000113.6L433 R461L433-G474 CarbonylContact O-C 3.57Å; R461-G474 PolarHBondContact NH2-O 2.98Å
475G90.8Very high93.2Very high17 Ų1763.7 Ų63.718%0.17534%0.344CS..  trans79.932.6176.500000115.5L433 Y457L433-G475 PolarHBondContact O-N 2.93Å; Y457-G475 WeakPolarHBondContact CD2-O 3.29Å
476D88.8Confident93.2Very high120 Ų12061.1 Ų61.164%0.64232%0.322SS*.  trans-119.80.9-176.355.5-21.8000113.3
477R92.1Very high93.1Very high54 Ų5454.5 Ų54.520%0.20429%0.287CS..  trans-108.2128.4-175.5-56.8-60.4-71.9-103.72111.8D295 P435 A436 Y457 E482 F486D295-R477 IonicContact OD1-CZ 3.42Å; D295-R477 IonicContact OD1-NH1 3.9Å; D295-R477 PolarHBondContact OD1-NH1 3.06Å; P435-R477 HydrophobicContact CB-CB 4Å; P435-R477 HydrophobicContact CG-CB 4.12Å; A436-R477 PolarHBondContact N-O 3.18Å; Y457-R477 PolarHBondContact OH-O 3.1Å; R477-E482 VanDerWaalsContact CA-OE1 3.23Å; R477-E482 WeakPolarHBondContact CA-OE1 3.44Å; R477-E482 IonicContact CZ-OE2 3.71Å; R477-E482 VanDerWaalsContact CZ-OE2 3.23Å; R477-E482 IonicContact NE-OE1 3.84Å; R477-E482 PolarHBondContact NE-OE1 2.96Å; R477-E482 IonicContact NE-OE2 2.8Å; R477-E482 PolarHBondContact NE-OE2 2.96Å; R477-E482 IonicContact NH2-OE2 3.82Å; R477-E482 PolarHBondContact NH2-OE2 2.95Å; R477-F486 HydrophobicContact CB-CE2 3.94Å; R477-F486 HydrophobicContact CB-CZ 4.41Å
478C94Very high93.1Very high24 Ų2452.4 Ų52.416%0.16227%0.274CS..BIsolated β-bridgetrans-113.1110-173.2173.60000111.7A436 G438 Y480 T481 E482A436-C478 WeakPolarHBondContact O-CA 3.44Å; G438-C478 PolarHBondContact N-SG 2.85Å; G438-C478 VanDerWaalsContact N-SG 3.45Å; C478-Y480 PolarHBondContact O-N 3Å; C478-T481 VanDerWaalsContact CB-OG1 3.23Å; C478-T481 WeakPolarHBondContact CB-OG1 3.47Å; C478-T481 PolarHBondContact O-N 3.15Å; C478-T481 PolarHBondContact O-OG1 3.39Å; C478-T481 PolarHBondContact SG-OG1 3.35Å; C478-E482 PolarHBondContact N-OE1 2.58Å; C478-E482 WeakPolarHBondContact O-CB 3.31Å; C478-E482 PolarHBondContact O-N 2.89Å
479T95.7Very high92.9Very high0 Ų057.2 Ų57.20%028%0.284CS..THydrogen-bonded Turntrans-62.5-28.3-175.560.80000113A385 D386 P435 A436 I437 F486 S488 R491 M498A385-T479 VanDerWaalsContact O-CG2 3.24Å; A385-T479 WeakPolarHBondContact O-CG2 3.43Å; D386-T479 PolarHBondContact OD1-OG1 3.41Å; P435-T479 HydrophobicContact CB-CG2 3.98Å; A436-T479 PolarHBondContact O-N 3.38Å; A436-T479 PolarHBondContact O-OG1 2.86Å; I437-T479 WeakPolarHBondContact CA-OG1 3.34Å; I437-T479 PolarHBondContact N-OG1 3.25Å; T479-F486 HydrophobicContact CG2-CB 4.06Å; T479-F486 HydrophobicContact CG2-CD2 4.46Å; T479-F486 HydrophobicContact CG2-CG 4.39Å; T479-S488 WeakPolarHBondContact O-CB 3.47Å; T479-R491 PolarHBondContact O-NH1 3.26Å; T479-M498 HydrophobicContact CG2-CE 3.85Å
480Y95Very high92.7Very high95 Ų9560.1 Ų60.137%0.37330%0.296SS..THydrogen-bonded Turntrans-69.6-47.9176.8-168.4-99000112.5I437 A441 C478 R490 R491I437-Y480 HydrophobicContact CD1-CD2 4.08Å; I437-Y480 HydrophobicContact CD1-CG 4.26Å; A441-Y480 HydrophobicContact CB-CD1 3.89Å; A441-Y480 HydrophobicContact CB-CD2 3.99Å; A441-Y480 HydrophobicContact CB-CE1 4.33Å; A441-Y480 HydrophobicContact CB-CE2 4.42Å; A441-Y480 HydrophobicContact CB-CG 3.7Å; C478-Y480 PolarHBondContact O-N 3Å; Y480-R490 HydrophobicContact CD2-CB 4.08Å; Y480-R490 HydrophobicContact CD2-CG 3.85Å; Y480-R490 HydrophobicContact CE2-CB 4.39Å; Y480-R490 HydrophobicContact CE2-CG 3.86Å; Y480-R491 HydrophobicContact CD2-CB 3.77Å; Y480-R491 HydrophobicContact CE2-CB 3.68Å; Y480-R491 HydrophobicContact CE2-CG 4.19Å; Y480-R491 PolarHBondContact O-NH1 2.91Å
481T94Very high92.9Very high81 Ų8155.4 Ų55.450%0.49727%0.271SS..THydrogen-bonded Turntrans-87.1-31.4-172.250.90000112.6C478 N483C478-T481 VanDerWaalsContact CB-OG1 3.23Å; C478-T481 WeakPolarHBondContact CB-OG1 3.47Å; C478-T481 PolarHBondContact O-N 3.15Å; C478-T481 PolarHBondContact O-OG1 3.39Å; C478-T481 PolarHBondContact SG-OG1 3.35Å; T481-N483 VanDerWaalsContact C-N 3.28Å; T481-N483 PolarHBondContact O-N 3.48Å; T481-N483 VanDerWaalsContact O-N 3.11Å
482E93.3Very high93Very high46 Ų4655.4 Ų55.422%0.21527%0.273CS..  trans-8863.9177.9-65.1178.9-111.500110.8R477 C478 E484 T485 F486R477-E482 VanDerWaalsContact CA-OE1 3.23Å; R477-E482 WeakPolarHBondContact CA-OE1 3.44Å; R477-E482 IonicContact CZ-OE2 3.71Å; R477-E482 VanDerWaalsContact CZ-OE2 3.23Å; R477-E482 IonicContact NE-OE1 3.84Å; R477-E482 PolarHBondContact NE-OE1 2.96Å; R477-E482 IonicContact NE-OE2 2.8Å; R477-E482 PolarHBondContact NE-OE2 2.96Å; R477-E482 IonicContact NH2-OE2 3.82Å; R477-E482 PolarHBondContact NH2-OE2 2.95Å; C478-E482 PolarHBondContact N-OE1 2.58Å; C478-E482 WeakPolarHBondContact O-CB 3.31Å; C478-E482 PolarHBondContact O-N 2.89Å; E482-E484 VanDerWaalsContact C-N 3.34Å; E482-E484 PolarHBondContact O-N 2.99Å; E482-T485 PolarHBondContact O-N 2.99Å; E482-F486 HydrophobicContact CB-CD2 3.81Å; E482-F486 HydrophobicContact CB-CE2 4.21Å; E482-F486 PolarHBondContact O-N 3.35Å; E482-F486 WeakPolarHBondContact OE2-CE2 3.4Å
483N91.1Very high92.8Very high79 Ų7959.8 Ų59.842%0.42229%0.291SS..THydrogen-bonded Turntrans-66.4-29.4-172.863.45.2000114.4R302 T481 T485 R491R302-N483 VanDerWaalsContact CD-O 3.26Å; R302-N483 WeakPolarHBondContact CD-O 3.19Å; R302-N483 PolarHBondContact NH1-O 3.25Å; T481-N483 VanDerWaalsContact C-N 3.28Å; T481-N483 PolarHBondContact O-N 3.48Å; T481-N483 VanDerWaalsContact O-N 3.11Å; N483-T485 VanDerWaalsContact C-N 3.27Å; N483-T485 PolarHBondContact O-N 3.48Å; N483-R491 VanDerWaalsContact CA-NH1 3.28Å; N483-R491 VanDerWaalsContact CB-CZ 3.5Å; N483-R491 VanDerWaalsContact CB-NH1 3.29Å
484E90.5Very high92.9Very high157 Ų15758.5 Ų58.573%0.73429%0.292SS*.THydrogen-bonded Turntrans-70.7-27.5177.5-57.7-170.1166.600111.6R302 E482R302-E484 WeakPolarHBondContact CG-O 3.41Å; E482-E484 VanDerWaalsContact C-N 3.34Å; E482-E484 PolarHBondContact O-N 2.99Å
485T90.8Very high93.1Very high33 Ų3357.5 Ų57.520%0.20228%0.28CS..THydrogen-bonded Turntrans-99.1-38.1-173.2-41.90000112.5T301 R302 E482 N483T301-T485 WeakPolarHBondContact CA-O 3.43Å; T301-T485 WeakPolarHBondContact CB-O 3.42Å; T301-T485 HydrophobicContact CG2-CG2 3.63Å; R302-T485 WeakPolarHBondContact CG-O 3.36Å; R302-T485 PolarHBondContact N-O 3.3Å; E482-T485 PolarHBondContact O-N 2.99Å; N483-T485 VanDerWaalsContact C-N 3.27Å; N483-T485 PolarHBondContact O-N 3.48Å
486F94.8Very high93.3Very high0 Ų056.7 Ų56.70%027%0.272CS..  trans-129.7146-166.7-56.3-49.4000114.3T301 P435 R477 T479 E482 R491 M498T301-F486 HydrophobicContact CG2-CE1 4.18Å; P435-F486 HydrophobicContact CB-CD1 4.22Å; P435-F486 HydrophobicContact CB-CD2 4.05Å; P435-F486 HydrophobicContact CB-CE1 3.96Å; P435-F486 HydrophobicContact CB-CE2 3.83Å; P435-F486 HydrophobicContact CB-CG 4.25Å; P435-F486 HydrophobicContact CB-CZ 3.77Å; P435-F486 HydrophobicContact CG-CD1 4.33Å; P435-F486 HydrophobicContact CG-CE1 3.62Å; P435-F486 HydrophobicContact CG-CE2 4.01Å; P435-F486 HydrophobicContact CG-CZ 3.45Å; P435-F486 VanDerWaalsContact CG-CZ 3.45Å; R477-F486 HydrophobicContact CB-CE2 3.94Å; R477-F486 HydrophobicContact CB-CZ 4.41Å; T479-F486 HydrophobicContact CG2-CB 4.06Å; T479-F486 HydrophobicContact CG2-CD2 4.46Å; T479-F486 HydrophobicContact CG2-CG 4.39Å; E482-F486 HydrophobicContact CB-CD2 3.81Å; E482-F486 HydrophobicContact CB-CE2 4.21Å; E482-F486 PolarHBondContact O-N 3.35Å; E482-F486 WeakPolarHBondContact OE2-CE2 3.4Å; F486-R491 PolarHBondContact O-NH2 3.33Å; F486-M498 HydrophobicContact CB-CE 4.14Å; F486-M498 HydrophobicContact CB-SD 3.6Å; F486-M498 HydrophobicContact CD1-CE 4.5Å; F486-M498 HydrophobicContact CD1-SD 3.24Å; F486-M498 WeakPolarHBondContact CD1-SD 3.33Å; F486-M498 HydrophobicContact CE1-SD 4.2Å; F486-M498 HydrophobicContact CG-SD 3.74Å
487F95.6Very high93.7Very high0 Ų053.2 Ų53.20%025%0.25CC..  trans-73.1138.4169.5-70.1-61.4000110.4R302 Y311 D312 N315 A385 T495 G496 M498R302-F487 HydrophobicContact CB-CD1 4.16Å; R302-F487 HydrophobicContact CB-CD2 3.88Å; R302-F487 HydrophobicContact CB-CE1 3.83Å; R302-F487 HydrophobicContact CB-CE2 3.53Å; R302-F487 HydrophobicContact CB-CG 4.19Å; R302-F487 HydrophobicContact CB-CZ 3.51Å; Y311-F487 WeakPolarHBondContact O-CZ 3.2Å; D312-F487 WeakPolarHBondContact O-CE1 3.44Å; N315-F487 HydrophobicContact CB-CE2 4.4Å; N315-F487 HydrophobicContact CB-CZ 4.1Å; A385-F487 CarbonylContact C-O 3.52Å; A385-F487 HydrophobicContact CB-CB 4.45Å; F487-T495 WeakPolarHBondContact CB-OG1 3.47Å; F487-T495 VanDerWaalsContact CD1-OG1 3.31Å; F487-T495 WeakPolarHBondContact CD1-OG1 3.39Å; F487-G496 WeakPolarHBondContact CB-O 3.22Å; F487-M498 HydrophobicContact CD2-CG 3.9Å
488S95.7Very high93.8Very high0 Ų050.6 Ų50.60%024%0.24CC..  trans-138.9121.5174.9178.10000112.1D386 T479 R491 D492D386-S488 VanDerWaalsContact OD1-CA 3.27Å; D386-S488 WeakPolarHBondContact OD1-CA 3.38Å; D386-S488 VanDerWaalsContact OD1-CB 3.27Å; D386-S488 WeakPolarHBondContact OD1-CB 3.36Å; D386-S488 PolarHBondContact OD1-OG 2.93Å; D386-S488 PolarHBondContact OD2-OG 3.45Å; T479-S488 WeakPolarHBondContact O-CB 3.47Å; S488-R491 PolarHBondContact OG-N 3.49Å; S488-D492 WeakPolarHBondContact O-CB 3.24Å; S488-D492 PolarHBondContact O-N 3.21Å
489Y93.7Very high93.8Very high128 Ų12849.5 Ų49.550%0.50223%0.232SC..Hα-helixtrans-71-37.2179.3176.8-92.3000111.1D386 R491 K493 T495D386-Y489 PolarHBondContact OD1-N 2.98Å; D386-Y489 WeakPolarHBondContact OD2-CA 3.29Å; D386-Y489 WeakPolarHBondContact OD2-CB 3.38Å; D386-Y489 PolarHBondContact OD2-N 3.11Å; Y489-R491 VanDerWaalsContact C-N 3.29Å; Y489-R491 PolarHBondContact O-N 2.8Å; Y489-K493 WeakPolarHBondContact CD2-O 3.5Å; Y489-K493 WeakPolarHBondContact CE2-O 3.44Å; Y489-K493 VanDerWaalsContact O-CA 3.23Å; Y489-K493 WeakPolarHBondContact O-CA 3.38Å; Y489-K493 PolarHBondContact O-N 3.01Å; Y489-T495 HydrophobicContact CD2-CG2 4.47Å
490R93.2Very high93.8Very high62 Ų6249.5 Ų49.523%0.23423%0.232CC..Hα-helixtrans-58.9-44179.2179.755.758.9150.89111D386 I437 E443 Y480 K493D386-R490 VanDerWaalsContact OD2-CB 3.27Å; D386-R490 WeakPolarHBondContact OD2-CB 3.38Å; D386-R490 PolarHBondContact OD2-N 2.85Å; I437-R490 HydrophobicContact CD1-CB 3.66Å; I437-R490 HydrophobicContact CD1-CG 3.99Å; E443-R490 PolarHBondContact O-NH2 3.28Å; E443-R490 IonicContact OE2-CZ 3.76Å; E443-R490 IonicContact OE2-NH1 2.98Å; E443-R490 PolarHBondContact OE2-NH1 2.98Å; Y480-R490 HydrophobicContact CD2-CB 4.08Å; Y480-R490 HydrophobicContact CD2-CG 3.85Å; Y480-R490 HydrophobicContact CE2-CB 4.39Å; Y480-R490 HydrophobicContact CE2-CG 3.86Å; R490-K493 PolarHBondContact O-NZ 2.65Å
491R93.6Very high93.7Very high53 Ų5345.6 Ų45.620%0.222%0.218CC..Hα-helixtrans-73.1-56.3178.2-170.6-176.757.6-127.4-1.9111.6T479 Y480 N483 F486 S488 Y489T479-R491 PolarHBondContact O-NH1 3.26Å; Y480-R491 HydrophobicContact CD2-CB 3.77Å; Y480-R491 HydrophobicContact CE2-CB 3.68Å; Y480-R491 HydrophobicContact CE2-CG 4.19Å; Y480-R491 PolarHBondContact O-NH1 2.91Å; N483-R491 VanDerWaalsContact CA-NH1 3.28Å; N483-R491 VanDerWaalsContact CB-CZ 3.5Å; N483-R491 VanDerWaalsContact CB-NH1 3.29Å; F486-R491 PolarHBondContact O-NH2 3.33Å; S488-R491 PolarHBondContact OG-N 3.49Å; Y489-R491 VanDerWaalsContact C-N 3.29Å; Y489-R491 PolarHBondContact O-N 2.8Å
492D93.4Very high93.6Very high66 Ų6642.8 Ų42.835%0.35320%0.199SC..Hα-helixtrans-100.2-15-161.6-54.8-37.3000113.7S488 T494S488-D492 WeakPolarHBondContact O-CB 3.24Å; S488-D492 PolarHBondContact O-N 3.21Å; D492-T494 PolarHBondContact O-N 3.26Å
493K90.7Very high93.6Very high117 Ų11744 Ų4451%0.50920%0.202SC..SBendtrans62.3-59.1-172.2-49.8-56.3-179.7-157.30113.8Y489 R490Y489-K493 WeakPolarHBondContact CD2-O 3.5Å; Y489-K493 WeakPolarHBondContact CE2-O 3.44Å; Y489-K493 VanDerWaalsContact O-CA 3.23Å; Y489-K493 WeakPolarHBondContact O-CA 3.38Å; Y489-K493 PolarHBondContact O-N 3.01Å; R490-K493 PolarHBondContact O-NZ 2.65Å
494T93.4Very high93.4Very high71 Ų7140.9 Ų40.944%0.43619%0.185SC..SBendtrans-99.9110.8172.6-53.40000107.6P310 Y311 D492P310-T494 HydrophobicContact CG-CG2 3.59Å; Y311-T494 HydrophobicContact CE1-CG2 3.87Å; Y311-T494 WeakPolarHBondContact OH-CG2 3.38Å; D492-T494 PolarHBondContact O-N 3.26Å
495T95.3Very high92.9Very high5 Ų543 Ų433%0.03120%0.2CC..  trans-150.8159.5-172-173.10000111.5A385 F487 Y489 R497A385-T495 HydrophobicContact CB-CG2 4.19Å; F487-T495 WeakPolarHBondContact CB-OG1 3.47Å; F487-T495 VanDerWaalsContact CD1-OG1 3.31Å; F487-T495 WeakPolarHBondContact CD1-OG1 3.39Å; Y489-T495 HydrophobicContact CD2-CG2 4.47Å; T495-R497 PolarHBondContact O-NH1 3.29Å; T495-R497 VanDerWaalsContact O-NH1 3.07Å
496G95.7Very high93Very high0 Ų043.6 Ų43.60%020%0.199CC..  trans-73.2-174.1173.600000114.7N315 F487N315-G496 WeakPolarHBondContact OD1-CA 3.47Å; F487-G496 WeakPolarHBondContact CB-O 3.22Å
497R96Very high92.9Very high46 Ų4645.8 Ų45.817%0.17421%0.21CC..  trans-126.1137.5173.7-61.4-68175.8-83.7-4.7110.7N315 L316 M383 T384 T495N315-R497 PolarHBondContact OD1-N 2.94Å; L316-R497 PolarHBondContact N-O 3.13Å; L316-R497 VanDerWaalsContact N-O 3.12Å; M383-R497 HydrophobicContact CB-CB 4.14Å; T384-R497 CarbonylContact O-C 3.54Å; T384-R497 WeakPolarHBondContact O-CA 3.42Å; T495-R497 PolarHBondContact O-NH1 3.29Å; T495-R497 VanDerWaalsContact O-NH1 3.07Å
498M94.8Very high92.8Very high0 Ų048.4 Ų48.40%022%0.222CC..EExtended strand (participates in β ladder)trans-83.5166.6162.7-55.6167.5-71.300108.7S300 M383 T384 A385 T479 F486 F487S300-M498 WeakPolarHBondContact O-CB 3.43Å; S300-M498 WeakPolarHBondContact O-CG 3.4Å; S300-M498 WeakPolarHBondContact OG-CA 3.39Å; M383-M498 CarbonylContact C-O 3.5Å; M383-M498 WeakPolarHBondContact CA-O 3.45Å; T384-M498 PolarHBondContact N-O 3.14Å; T384-M498 PolarHBondContact O-N 2.83Å; A385-M498 VanDerWaalsContact O-CE 3.27Å; A385-M498 WeakPolarHBondContact O-CE 3.48Å; T479-M498 HydrophobicContact CG2-CE 3.85Å; F486-M498 HydrophobicContact CB-CE 4.14Å; F486-M498 HydrophobicContact CB-SD 3.6Å; F486-M498 HydrophobicContact CD1-CE 4.5Å; F486-M498 HydrophobicContact CD1-SD 3.24Å; F486-M498 WeakPolarHBondContact CD1-SD 3.33Å; F486-M498 HydrophobicContact CE1-SD 4.2Å; F486-M498 HydrophobicContact CG-SD 3.74Å; F487-M498 HydrophobicContact CD2-CG 3.9Å
499A94.4Very high92.6Very high0 Ų051.2 Ų51.20%024%0.235CC..EExtended strand (participates in β ladder)trans-135.8138.8173.900000110.8C299 S300 L316 W346 V382 M383 F501C299-A499 CarbonylContact C-O 3.58Å; C299-A499 WeakPolarHBondContact CA-O 3.49Å; C299-A499 PolarHBondContact SG-O 2.84Å; S300-A499 PolarHBondContact N-O 3.49Å; S300-A499 PolarHBondContact OG-N 3.32Å; S300-A499 PolarHBondContact OG-O 3.29Å; L316-A499 HydrophobicContact CD1-CB 3.58Å; W346-A499 HydrophobicContact CH2-CB 3.86Å; W346-A499 HydrophobicContact CZ3-CB 3.67Å; V382-A499 CarbonylContact O-C 3.05Å; V382-A499 VanDerWaalsContact O-CA 3.23Å; V382-A499 WeakPolarHBondContact O-CA 3.39Å; M383-A499 HydrophobicContact CG-CB 4.04Å; A499-F501 HydrophobicContact CB-CE1 3.82Å; A499-F501 HydrophobicContact CB-CE2 3.81Å; A499-F501 HydrophobicContact CB-CZ 3.22Å; A499-F501 WeakPolarHBondContact O-CE2 3.47Å
500S94.6Very high92.5Very high0 Ų046.4 Ų46.40%022%0.218CC..EExtended strand (participates in β ladder)trans-108.5140.2172.5-49.20000110.6D298 C299 A381 V382 P389D298-S500 CarbonylContact O-C 3.1Å; D298-S500 WeakPolarHBondContact O-CA 3.4Å; C299-S500 WeakPolarHBondContact CB-OG 3.38Å; C299-S500 PolarHBondContact SG-OG 3.08Å; A381-S500 VanDerWaalsContact CA-O 3.27Å; A381-S500 WeakPolarHBondContact CA-O 3.34Å; V382-S500 PolarHBondContact N-O 2.94Å; V382-S500 VanDerWaalsContact N-O 3.08Å; V382-S500 PolarHBondContact O-N 3.44Å; P389-S500 VanDerWaalsContact CB-OG 3.27Å; P389-S500 WeakPolarHBondContact CB-OG 3.33Å; P389-S500 WeakPolarHBondContact CG-OG 3.47Å
501F93Very high92.5Very high14 Ų1445.4 Ų45.46%0.06122%0.217CC..EExtended strand (participates in β ladder)trans-130.1146.2-169.3-50.1-80.5000111.5D298 L334 L340 P344 W346 V379 C380 A381 L391 A499 W503D298-F501 PolarHBondContact O-N 3.01Å; L334-F501 HydrophobicContact CD1-CE2 4.43Å; L334-F501 HydrophobicContact CD2-CE1 4.28Å; L334-F501 HydrophobicContact CD2-CE2 3.65Å; L334-F501 HydrophobicContact CD2-CZ 3.26Å; L334-F501 HydrophobicContact CG-CE2 4.39Å; L334-F501 HydrophobicContact CG-CZ 4.38Å; L340-F501 HydrophobicContact CD2-CB 4.27Å; L340-F501 HydrophobicContact CD2-CD1 4.08Å; L340-F501 HydrophobicContact CD2-CG 4.15Å; P344-F501 HydrophobicContact CB-CD1 4.32Å; P344-F501 HydrophobicContact CB-CE1 4.28Å; P344-F501 HydrophobicContact CG-CE1 4.09Å; W346-F501 AromaticContact CH2-CE1 3.61Å; W346-F501 HydrophobicContact CH2-CE1 3.61Å; W346-F501 AromaticContact CH2-CZ 3.87Å; W346-F501 HydrophobicContact CH2-CZ 3.87Å; W346-F501 HydrophobicContact CZ2-CE1 4.47Å; W346-F501 HydrophobicContact CZ3-CE1 4.03Å; W346-F501 HydrophobicContact CZ3-CZ 4.44Å; V379-F501 HydrophobicContact CG1-CB 4.16Å; V379-F501 HydrophobicContact CG1-CD1 4.08Å; C380-F501 WeakPolarHBondContact O-CA 3.48Å; A381-F501 HydrophobicContact CB-CD1 3.66Å; A381-F501 HydrophobicContact CB-CE1 3.89Å; L391-F501 VanDerWaalsContact CD1-O 3.29Å; L391-F501 WeakPolarHBondContact CD1-O 3.39Å; A499-F501 HydrophobicContact CB-CE1 3.82Å; A499-F501 HydrophobicContact CB-CE2 3.81Å; A499-F501 HydrophobicContact CB-CZ 3.22Å; A499-F501 WeakPolarHBondContact O-CE2 3.47Å; F501-W503 HydrophobicContact CB-CE3 4.39Å; F501-W503 HydrophobicContact CB-CZ3 4.11Å
502I93Very high92.4Very high22 Ų2244.9 Ų44.911%0.11322%0.218CC..EExtended strand (participates in β ladder)trans-150.3144.2167.7-168.1161.9000109.9C380 L391 F392 C393 V400 A401 A402C380-I502 HydrophobicContact CB-CG2 3.86Å; C380-I502 PolarHBondContact N-O 3.29Å; C380-I502 PolarHBondContact O-N 3.49Å; L391-I502 HydrophobicContact CB-CB 4.48Å; L391-I502 HydrophobicContact CB-CD1 4.11Å; L391-I502 HydrophobicContact CD1-CB 4.35Å; L391-I502 HydrophobicContact CD2-CB 4.2Å; L391-I502 HydrophobicContact CD2-CG2 4.03Å; F392-I502 WeakPolarHBondContact O-CD1 3.23Å; C393-I502 HydrophobicContact CB-CD1 4.22Å; V400-I502 HydrophobicContact CB-CD1 4.31Å; V400-I502 HydrophobicContact CB-CG1 4.02Å; V400-I502 HydrophobicContact CB-CG2 4.01Å; V400-I502 HydrophobicContact CG1-CD1 4.08Å; V400-I502 HydrophobicContact CG1-CG1 3.84Å; V400-I502 HydrophobicContact CG2-CG2 4.41Å; A401-I502 WeakPolarHBondContact O-CG2 3.25Å; A402-I502 HydrophobicContact CB-CG2 4.27Å
503W91.8Very high92.3Very high71 Ų7143.2 Ų43.227%0.26921%0.208SC..EExtended strand (participates in β ladder)trans-151.2163.7177.565.293.3000111.2L340 P341 T378 V379 F501L340-W503 HydrophobicContact CD2-CE3 4.29Å; L340-W503 HydrophobicContact CD2-CZ3 4.04Å; L340-W503 HydrophobicContact CG-CZ3 4.45Å; P341-W503 HydrophobicContact CG-CB 4.38Å; P341-W503 HydrophobicContact CG-CD2 4.41Å; P341-W503 HydrophobicContact CG-CG 3.87Å; T378-W503 WeakPolarHBondContact O-CB 3.47Å; V379-W503 HydrophobicContact CG1-CE3 4.37Å; V379-W503 HydrophobicContact CG2-CB 4.08Å; V379-W503 HydrophobicContact CG2-CD2 4.49Å; V379-W503 HydrophobicContact CG2-CE3 4.46Å; V379-W503 HydrophobicContact CG2-CG 4.37Å; F501-W503 HydrophobicContact CB-CE3 4.39Å; F501-W503 HydrophobicContact CB-CZ3 4.11Å
504L86.6Confident92.4Very high14 Ų1437.1 Ų37.17%0.07318%0.183CC..  trans-90.7129.7169.7-64.8168.9000108.4G377 G397 T398 V400G377-L504 PolarHBondContact N-O 3.37Å; G397-L504 VanDerWaalsContact O-CD2 3.3Å; G397-L504 WeakPolarHBondContact O-CD2 3.31Å; T398-L504 WeakPolarHBondContact O-CD1 3.46Å; V400-L504 HydrophobicContact CG1-CD2 3.65Å; V400-L504 HydrophobicContact CG1-CG 3.89Å; V400-L504 HydrophobicContact CG2-CG 4.07Å
505I80.8Confident92.4Very high202 Ų20234 Ų34100%1.03616%0.16SC*.  trans-770-179.6-61.4175.4000110.8

Retrieved 505 of 505 residues in 2739.5 ms (Link to these results)

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