A0A077ZFK1_TRITR Loading...

Guanine nucleotide binding protein subunit

AlphaFold DB , UniProt , Accession A0A077ZFK1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 359 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
1M42.4Very low57.6Low256 Ų256125.6 Ų125.6100%1.26166%0.662SS**  01030-76.4-172.4-107.100107.3
2G45.2Very low57.6Low73 Ų73123.3 Ų123.375%0.75365%0.645SS**  cis-147.2125.2-4.300000109.1Q4G2-Q4 VanDerWaalsContact C-N 3.3Å; G2-Q4 PolarHBondContact O-N 3.44Å
3E49.1Very low57.5Low202 Ų202117.6 Ų117.694%0.94463%0.627SS**  trans-79.986159.6-77.5178.114500106.3S5E3-S5 PolarHBondContact O-N 3.19Å
4Q53.3Low57.7Low132 Ų132120.7 Ų120.762%0.61763%0.632SS**  trans-61.2117157.5-88.9179.4-3700106.1G2 T6G2-Q4 VanDerWaalsContact C-N 3.3Å; G2-Q4 PolarHBondContact O-N 3.44Å; Q4-T6 PolarHBondContact O-N 3.5Å
5S57Low58.2Low53 Ų53119.7 Ų119.737%0.37163%0.633SS.*  trans-63.8138.5-173.792.80000108.8E3 T7 E8E3-S5 PolarHBondContact O-N 3.19Å; S5-T7 PolarHBondContact O-N 3.06Å; S5-T7 PolarHBondContact OG-N 3.42Å; S5-E8 WeakPolarHBondContact O-CB 3.5Å; S5-E8 PolarHBondContact O-N 2.92Å; S5-E8 PolarHBondContact OG-N 3.43Å
6T65.8Low58.7Low100 Ų100120.6 Ų120.661%0.61363%0.632SS**Hα-helixtrans-49.1-27.7174.847.80000112.8Q4 L9 F10Q4-T6 PolarHBondContact O-N 3.5Å; T6-L9 PolarHBondContact O-N 2.85Å; T6-F10 WeakPolarHBondContact O-CD2 3.44Å; T6-F10 PolarHBondContact O-N 3.12Å
7T69.2Low59.4Low81 Ų81116.5 Ų116.550%0.49762%0.616SS.*Hα-helixtrans-68.1-32.7177.5-44.90000112.9S5 K11S5-T7 PolarHBondContact O-N 3.06Å; S5-T7 PolarHBondContact OG-N 3.42Å; T7-K11 WeakPolarHBondContact O-CG 3.14Å; T7-K11 PolarHBondContact O-N 3.24Å; T7-K11 VanDerWaalsContact O-N 3.12Å
8E65.5Low60.4Low102 Ų102112.4 Ų112.448%0.47761%0.607SS.*Hα-helixtrans-69.8-44.6174.4-70.2-178.4155.500110.6S5 F10 K11 E12S5-E8 WeakPolarHBondContact O-CB 3.5Å; S5-E8 PolarHBondContact O-N 2.92Å; S5-E8 PolarHBondContact OG-N 3.43Å; E8-F10 VanDerWaalsContact C-N 3.32Å; E8-F10 PolarHBondContact O-N 3.46Å; E8-K11 WeakPolarHBondContact O-CB 3.29Å; E8-K11 PolarHBondContact O-N 2.85Å; E8-E12 WeakPolarHBondContact O-CG 3.28Å; E8-E12 PolarHBondContact O-N 3.07Å
9L61.6Low61.8Low93 Ų93110.3 Ų110.349%0.48760%0.6SS.*Hα-helixtrans-59-40.8174.4-69169.1000112.2T6 E12 A13T6-L9 PolarHBondContact O-N 2.85Å; L9-E12 PolarHBondContact O-N 3.36Å; L9-A13 VanDerWaalsContact O-CB 3.28Å; L9-A13 WeakPolarHBondContact O-CB 3.48Å; L9-A13 PolarHBondContact O-N 2.87Å
10F63.4Low63.1Low145 Ų145110.3 Ų110.364%0.63660%0.597SS**Hα-helixtrans-66.6-34.7174.7-84.7-69.4000113.2T6 E8 K14T6-F10 WeakPolarHBondContact O-CD2 3.44Å; T6-F10 PolarHBondContact O-N 3.12Å; E8-F10 VanDerWaalsContact C-N 3.32Å; E8-F10 PolarHBondContact O-N 3.46Å; F10-K14 WeakPolarHBondContact O-CB 3.41Å; F10-K14 WeakPolarHBondContact O-CG 3.46Å; F10-K14 PolarHBondContact O-N 2.89Å; F10-K14 VanDerWaalsContact O-N 3.07Å
11K61.5Low64.4Low145 Ų145109 Ų10963%0.6359%0.59SS**Hα-helixtrans-69.6-45.4174.6-77.8178.4179.8177.70110.8T7 E8 K14 V15T7-K11 WeakPolarHBondContact O-CG 3.14Å; T7-K11 PolarHBondContact O-N 3.24Å; T7-K11 VanDerWaalsContact O-N 3.12Å; E8-K11 WeakPolarHBondContact O-CB 3.29Å; E8-K11 PolarHBondContact O-N 2.85Å; K11-K14 PolarHBondContact O-N 3.22Å; K11-V15 VanDerWaalsContact O-CG2 3.29Å; K11-V15 WeakPolarHBondContact O-CG2 3.26Å; K11-V15 PolarHBondContact O-N 2.88Å
12E57.5Low66.9Low98 Ų9899.5 Ų99.546%0.45855%0.552SS.*Hα-helixtrans-60-46.3175.5-73.3-18017000111.4E8 L9 K14 V15 Q16E8-E12 WeakPolarHBondContact O-CG 3.28Å; E8-E12 PolarHBondContact O-N 3.07Å; L9-E12 PolarHBondContact O-N 3.36Å; E12-K14 VanDerWaalsContact C-N 3.34Å; E12-K14 PolarHBondContact O-N 3.26Å; E12-V15 PolarHBondContact O-N 3.38Å; E12-Q16 WeakPolarHBondContact O-CB 3.37Å; E12-Q16 VanDerWaalsContact O-CG 3.26Å; E12-Q16 WeakPolarHBondContact O-CG 3.36Å; E12-Q16 PolarHBondContact O-N 2.81Å
13A56.3Low69.2Low49 Ų49101 Ų10141%0.40554%0.542SS..Hα-helixtrans-61.6-38.8176.100000112.7L9 S17L9-A13 VanDerWaalsContact O-CB 3.28Å; L9-A13 WeakPolarHBondContact O-CB 3.48Å; L9-A13 PolarHBondContact O-N 2.87Å; A13-S17 VanDerWaalsContact O-CB 3.31Å; A13-S17 WeakPolarHBondContact O-CB 3.45Å; A13-S17 PolarHBondContact O-N 2.93Å
14K60.7Low71.4Confident161 Ų16194.7 Ų94.770%0.752%0.518SS*.Hα-helixtrans-68.9-39.3174.5-81.2-176.6177.7-177.50112.8F10 K11 E12 S17 G18F10-K14 WeakPolarHBondContact O-CB 3.41Å; F10-K14 WeakPolarHBondContact O-CG 3.46Å; F10-K14 PolarHBondContact O-N 2.89Å; F10-K14 VanDerWaalsContact O-N 3.07Å; K11-K14 PolarHBondContact O-N 3.22Å; E12-K14 VanDerWaalsContact C-N 3.34Å; E12-K14 PolarHBondContact O-N 3.26Å; K14-S17 PolarHBondContact O-N 3.07Å; K14-G18 PolarHBondContact O-N 3.4Å
15V65.1Low73.3Confident106 Ų10695.5 Ų95.564%0.64252%0.519SS*.Hα-helixtrans-65.2-43175.2171.40000110.1K11 E12 G18 C19K11-V15 VanDerWaalsContact O-CG2 3.29Å; K11-V15 WeakPolarHBondContact O-CG2 3.26Å; K11-V15 PolarHBondContact O-N 2.88Å; E12-V15 PolarHBondContact O-N 3.38Å; V15-G18 PolarHBondContact O-N 3.39Å; V15-C19 WeakPolarHBondContact O-CB 3.31Å; V15-C19 PolarHBondContact O-N 2.84Å
16Q66.1Low75.2Confident133 Ų13398.3 Ų98.362%0.62153%0.526SS*.Hα-helixtrans-61.9-43.6173.5-73.3174.6-1.900111.6E12 C19 M20E12-Q16 WeakPolarHBondContact O-CB 3.37Å; E12-Q16 VanDerWaalsContact O-CG 3.26Å; E12-Q16 WeakPolarHBondContact O-CG 3.36Å; E12-Q16 PolarHBondContact O-N 2.81Å; Q16-C19 PolarHBondContact O-N 3.21Å; Q16-M20 WeakPolarHBondContact O-CB 3.32Å; Q16-M20 PolarHBondContact O-N 3.33Å
17S71.1Confident76.6Confident52 Ų5296.3 Ų96.336%0.36452%0.52SS..Hα-helixtrans-62.2-44.9175.6-1740000112.2A13 K14 C19 M20 D21A13-S17 VanDerWaalsContact O-CB 3.31Å; A13-S17 WeakPolarHBondContact O-CB 3.45Å; A13-S17 PolarHBondContact O-N 2.93Å; K14-S17 PolarHBondContact O-N 3.07Å; S17-C19 VanDerWaalsContact C-N 3.32Å; S17-C19 PolarHBondContact O-N 2.95Å; S17-M20 PolarHBondContact O-N 3.29Å; S17-D21 PolarHBondContact O-N 3.47Å
18G77.3Confident77.8Confident43 Ų4397.9 Ų97.944%0.44352%0.522SS..Hα-helixtrans-66-34.9177.500000112.9K14 V15 A22K14-G18 PolarHBondContact O-N 3.4Å; V15-G18 PolarHBondContact O-N 3.39Å; G18-A22 PolarHBondContact O-N 2.83Å
19C85.8Confident79.3Confident71 Ų71102.4 Ų102.448%0.4853%0.534SS..Hα-helixtrans-67.4-44.1172.8-174.50000111.4V15 Q16 S17 A22 L23V15-C19 WeakPolarHBondContact O-CB 3.31Å; V15-C19 PolarHBondContact O-N 2.84Å; Q16-C19 PolarHBondContact O-N 3.21Å; S17-C19 VanDerWaalsContact C-N 3.32Å; S17-C19 PolarHBondContact O-N 2.95Å; C19-A22 WeakPolarHBondContact O-CB 3.48Å; C19-A22 PolarHBondContact O-N 3.18Å; C19-L23 WeakPolarHBondContact O-CG 3.32Å; C19-L23 PolarHBondContact O-N 2.95Å
20M88.5Confident81Confident111 Ų111102.4 Ų102.455%0.54754%0.535SS..Hα-helixtrans-60.6-46.5176.9-173.6-17968.400111.7Q16 S17 A22 L23 V24Q16-M20 WeakPolarHBondContact O-CB 3.32Å; Q16-M20 PolarHBondContact O-N 3.33Å; S17-M20 PolarHBondContact O-N 3.29Å; M20-A22 VanDerWaalsContact C-N 3.28Å; M20-A22 PolarHBondContact O-N 3.24Å; M20-L23 PolarHBondContact O-N 3.41Å; M20-V24 WeakPolarHBondContact O-CG2 3.41Å; M20-V24 PolarHBondContact O-N 3.4Å
21D91.4Very high82.4Confident83 Ų83102.1 Ų102.144%0.44453%0.529SS..Hα-helixtrans-61.8-36.2177.5-71.6-20.3000112.4S17 K25S17-D21 PolarHBondContact O-N 3.47Å; D21-K25 VanDerWaalsContact O-CG 3.32Å; D21-K25 WeakPolarHBondContact O-CG 3.36Å; D21-K25 PolarHBondContact O-N 3.02Å; D21-K25 VanDerWaalsContact O-N 3.13Å
22A93.5Very high84Confident57 Ų57100.3 Ų100.347%0.47153%0.526SS..Hα-helixtrans-66.1-43.6175.500000111.6G18 C19 M20 K25 E26G18-A22 PolarHBondContact O-N 2.83Å; C19-A22 WeakPolarHBondContact O-CB 3.48Å; C19-A22 PolarHBondContact O-N 3.18Å; M20-A22 VanDerWaalsContact C-N 3.28Å; M20-A22 PolarHBondContact O-N 3.24Å; A22-K25 PolarHBondContact O-N 3.34Å; A22-E26 WeakPolarHBondContact O-CB 3.47Å; A22-E26 PolarHBondContact O-N 3.13Å
23L94.6Very high85.8Confident103 Ų103103.8 Ų103.854%0.53954%0.535SS..Hα-helixtrans-65.5-40.6177.6-68.2173.5000112.2C19 M20 E26 A27C19-L23 WeakPolarHBondContact O-CG 3.32Å; C19-L23 PolarHBondContact O-N 2.95Å; M20-L23 PolarHBondContact O-N 3.41Å; L23-E26 PolarHBondContact O-N 3.01Å; L23-A27 WeakPolarHBondContact O-CB 3.36Å; L23-A27 PolarHBondContact O-N 3.3Å
24V93.9Very high87.6Confident71 Ų71105.3 Ų105.343%0.4354%0.537SS..Hα-helixtrans-60.9-47.4175.4171.80000110.5M20 E26 A27 E28M20-V24 WeakPolarHBondContact O-CG2 3.41Å; M20-V24 PolarHBondContact O-N 3.4Å; V24-E26 VanDerWaalsContact C-N 3.32Å; V24-E26 PolarHBondContact O-N 2.88Å; V24-A27 PolarHBondContact O-N 2.92Å; V24-E28 WeakPolarHBondContact O-CG 3.44Å; V24-E28 PolarHBondContact O-N 3.3Å
25K94.8Very high89.1Confident149 Ų149100.3 Ų100.365%0.64852%0.517SS*.Hα-helixtrans-62.3-38.7177-74.4174.8-177.8173.80112.5D21 A22 R29D21-K25 VanDerWaalsContact O-CG 3.32Å; D21-K25 WeakPolarHBondContact O-CG 3.36Å; D21-K25 PolarHBondContact O-N 3.02Å; D21-K25 VanDerWaalsContact O-N 3.13Å; A22-K25 PolarHBondContact O-N 3.34Å; K25-R29 WeakPolarHBondContact O-CB 3.32Å; K25-R29 PolarHBondContact O-N 2.92Å
26E95.9Very high90.5Very high111 Ų11197.7 Ų97.752%0.51950%0.504SS..Hα-helixtrans-64.9-46175.6-175.7170.6-172.700111.5A22 L23 V24 E28 R29 L30A22-E26 WeakPolarHBondContact O-CB 3.47Å; A22-E26 PolarHBondContact O-N 3.13Å; L23-E26 PolarHBondContact O-N 3.01Å; V24-E26 VanDerWaalsContact C-N 3.32Å; V24-E26 PolarHBondContact O-N 2.88Å; E26-E28 PolarHBondContact O-N 3.27Å; E26-R29 WeakPolarHBondContact O-CB 3.36Å; E26-R29 PolarHBondContact O-N 3.49Å; E26-L30 HydrophobicContact CG-CD1 4.19Å; E26-L30 WeakPolarHBondContact O-CG 3.46Å; E26-L30 PolarHBondContact O-N 3.23Å
27A94.7Very high91.8Very high59 Ų5994.8 Ų94.849%0.48849%0.49SS..Hα-helixtrans-60.5-45.7177.100000112.1L23 V24 R29 L30 R31L23-A27 WeakPolarHBondContact O-CB 3.36Å; L23-A27 PolarHBondContact O-N 3.3Å; V24-A27 PolarHBondContact O-N 2.92Å; A27-R29 VanDerWaalsContact C-N 3.35Å; A27-R29 PolarHBondContact O-N 2.93Å; A27-L30 PolarHBondContact O-N 2.92Å; A27-R31 WeakPolarHBondContact O-CB 3.5Å; A27-R31 PolarHBondContact O-N 3.5Å
28E95.5Very high92.8Very high113 Ų11395 Ų9553%0.52848%0.483SS..Hα-helixtrans-61-42.5175.1-74179.3171.600112.1V24 E26 L30 R31 N32V24-E28 WeakPolarHBondContact O-CG 3.44Å; V24-E28 PolarHBondContact O-N 3.3Å; E26-E28 PolarHBondContact O-N 3.27Å; E28-L30 PolarHBondContact O-N 3.39Å; E28-R31 PolarHBondContact O-N 3.49Å; E28-N32 WeakPolarHBondContact O-CB 3.41Å; E28-N32 VanDerWaalsContact O-CG 3.28Å; E28-N32 PolarHBondContact O-N 2.98Å; E28-N32 PolarHBondContact O-ND2 3.14Å
29R96.9Very high93.5Very high197 Ų197102.2 Ų102.274%0.74350%0.497SS*.Hα-helixtrans-61.2-45.1176.3-179.1-177177.1-179.8-0.5111.4K25 E26 A27 N32 R33K25-R29 WeakPolarHBondContact O-CB 3.32Å; K25-R29 PolarHBondContact O-N 2.92Å; E26-R29 WeakPolarHBondContact O-CB 3.36Å; E26-R29 PolarHBondContact O-N 3.49Å; A27-R29 VanDerWaalsContact C-N 3.35Å; A27-R29 PolarHBondContact O-N 2.93Å; R29-N32 PolarHBondContact O-N 3.19Å; R29-R33 WeakPolarHBondContact O-CB 3.42Å; R29-R33 PolarHBondContact O-N 3.46Å
30L96.2Very high93.8Very high94 Ų94105.3 Ų105.349%0.49250%0.502SS..Hα-helixtrans-65.5-43.1178.1-70.1173.7000111.5E26 A27 E28 N32 R33 L34E26-L30 HydrophobicContact CG-CD1 4.19Å; E26-L30 WeakPolarHBondContact O-CG 3.46Å; E26-L30 PolarHBondContact O-N 3.23Å; A27-L30 PolarHBondContact O-N 2.92Å; E28-L30 PolarHBondContact O-N 3.39Å; L30-N32 PolarHBondContact O-N 2.88Å; L30-R33 PolarHBondContact O-N 3.36Å; L30-L34 WeakPolarHBondContact O-CB 3.39Å; L30-L34 PolarHBondContact O-N 2.93Å
31R93.5Very high94Very high138 Ų138110 Ų11052%0.52151%0.514SS..Hα-helixtrans-59.1-46.1175.3-175.3176-177177.1-0.3111.7A27 E28 R33 L34 N35 E242A27-R31 WeakPolarHBondContact O-CB 3.5Å; A27-R31 PolarHBondContact O-N 3.5Å; E28-R31 PolarHBondContact O-N 3.49Å; R31-R33 PolarHBondContact O-N 3.47Å; R31-L34 PolarHBondContact O-N 3.5Å; R31-N35 WeakPolarHBondContact O-CB 3.4Å; R31-N35 VanDerWaalsContact O-CG 3.3Å; R31-N35 PolarHBondContact O-N 3.24Å; R31-N35 PolarHBondContact O-ND2 3.01Å; R31-E242 IonicContact CZ-OE2 3.48Å; R31-E242 IonicContact NH2-OE1 3.96Å; R31-E242 IonicContact NH2-OE2 2.63Å; R31-E242 PolarHBondContact NH2-OE2 3.45Å
32N94.9Very high93.9Very high107 Ų107109.3 Ų109.357%0.57251%0.51SS*.Hα-helixtrans-64.6-40.3177.6-74.1-30000112.1E28 R29 L30 N35 S36E28-N32 WeakPolarHBondContact O-CB 3.41Å; E28-N32 VanDerWaalsContact O-CG 3.28Å; E28-N32 PolarHBondContact O-N 2.98Å; E28-N32 PolarHBondContact O-ND2 3.14Å; R29-N32 PolarHBondContact O-N 3.19Å; L30-N32 PolarHBondContact O-N 2.88Å; N32-N35 PolarHBondContact O-N 2.67Å; N32-S36 WeakPolarHBondContact O-CB 3.46Å; N32-S36 PolarHBondContact O-N 3.33Å
33R96Very high93.9Very high171 Ų171113.1 Ų113.165%0.64552%0.523SS*.Hα-helixtrans-61.3-49.2174.3-174179.3-179.7-175.7-0.6111.1R29 L30 R31 N35 S36 E37R29-R33 WeakPolarHBondContact O-CB 3.42Å; R29-R33 PolarHBondContact O-N 3.46Å; L30-R33 PolarHBondContact O-N 3.36Å; R31-R33 PolarHBondContact O-N 3.47Å; R33-N35 PolarHBondContact O-N 2.69Å; R33-S36 PolarHBondContact O-N 2.89Å; R33-S36 VanDerWaalsContact O-N 3.14Å; R33-S36 PolarHBondContact O-OG 2.88Å; R33-E37 PolarHBondContact O-N 3.42Å
34L93Very high93.8Very high82 Ų82111.6 Ų111.643%0.42951%0.514SS..Hα-helixtrans-58.4-47.5177.8179.961.7000111.6L30 R31 S36 E37 R38L30-L34 WeakPolarHBondContact O-CB 3.39Å; L30-L34 PolarHBondContact O-N 2.93Å; R31-L34 PolarHBondContact O-N 3.5Å; L34-S36 VanDerWaalsContact C-N 3.27Å; L34-S36 PolarHBondContact O-N 3.47Å; L34-E37 PolarHBondContact O-N 2.63Å; L34-E37 VanDerWaalsContact O-N 3.16Å; L34-R38 HydrophobicContact CD1-CG 4.42Å; L34-R38 WeakPolarHBondContact O-CG 3.46Å; L34-R38 PolarHBondContact O-N 2.91Å
35N92.2Very high93.8Very high55 Ų55111.6 Ų111.629%0.29452%0.516SS..Hα-helixtrans-59.9-37.7176.6-75.3-20.9000112.4R31 N32 R33 R39R31-N35 WeakPolarHBondContact O-CB 3.4Å; R31-N35 VanDerWaalsContact O-CG 3.3Å; R31-N35 PolarHBondContact O-N 3.24Å; R31-N35 PolarHBondContact O-ND2 3.01Å; N32-N35 PolarHBondContact O-N 2.67Å; R33-N35 PolarHBondContact O-N 2.69Å; N35-R39 WeakPolarHBondContact O-CB 3.27Å; N35-R39 VanDerWaalsContact O-CG 3.27Å; N35-R39 WeakPolarHBondContact O-CG 3.46Å; N35-R39 PolarHBondContact O-N 2.95Å
36S93.9Very high93.6Very high51 Ų51106.4 Ų106.436%0.35750%0.495SS..Hα-helixtrans-66.5-40.9175.977.80000112.3N32 R33 L34 R39 K40N32-S36 WeakPolarHBondContact O-CB 3.46Å; N32-S36 PolarHBondContact O-N 3.33Å; R33-S36 PolarHBondContact O-N 2.89Å; R33-S36 VanDerWaalsContact O-N 3.14Å; R33-S36 PolarHBondContact O-OG 2.88Å; L34-S36 VanDerWaalsContact C-N 3.27Å; L34-S36 PolarHBondContact O-N 3.47Å; S36-R39 PolarHBondContact O-N 3.16Å; S36-K40 WeakPolarHBondContact O-CG 3.46Å; S36-K40 PolarHBondContact O-N 3.29Å
37E94Very high93.4Very high72 Ų72104.2 Ų104.234%0.33649%0.489SS..Hα-helixtrans-66.9-45.7176.3-64.4-52.4142.700111.3R33 L34 R39 K40 W41R33-E37 PolarHBondContact O-N 3.42Å; L34-E37 PolarHBondContact O-N 2.63Å; L34-E37 VanDerWaalsContact O-N 3.16Å; E37-R39 VanDerWaalsContact C-N 3.26Å; E37-R39 PolarHBondContact O-N 3.07Å; E37-K40 WeakPolarHBondContact O-CB 3.47Å; E37-K40 PolarHBondContact O-N 3.41Å; E37-K40 VanDerWaalsContact O-N 3.11Å; E37-K40 IonicContact OE1-NZ 2.69Å; E37-K40 PolarHBondContact OE1-NZ 3.27Å; E37-K40 IonicContact OE2-NZ 2.89Å; E37-K40 PolarHBondContact OE2-NZ 3.42Å; E37-W41 VanDerWaalsContact O-CD1 3.23Å
38R92.6Very high93.3Very high58 Ų58107.5 Ų107.522%0.21949%0.492CS..Hα-helixtrans-56.8-38.4175.2-72.8176.3175.7-179.2-11.2112.5L34 W41 D277L34-R38 HydrophobicContact CD1-CG 4.42Å; L34-R38 WeakPolarHBondContact O-CG 3.46Å; L34-R38 PolarHBondContact O-N 2.91Å; R38-W41 PolarHBondContact O-N 2.88Å; R38-D277 WeakPolarHBondContact CD-O 3.46Å; R38-D277 IonicContact CZ-OD1 3.54Å; R38-D277 IonicContact CZ-OD2 3.87Å; R38-D277 PolarHBondContact NE-O 2.78Å; R38-D277 IonicContact NE-OD1 3.86Å; R38-D277 IonicContact NE-OD2 3.18Å; R38-D277 PolarHBondContact NE-OD2 3.15Å; R38-D277 IonicContact NH2-OD1 3.63Å; R38-D277 PolarHBondContact NH2-OD1 3.05Å; R38-D277 IonicContact NH2-OD2 2.84Å; R38-D277 PolarHBondContact NH2-OD2 2.46Å
39R91.3Very high93.2Very high193 Ų193107.2 Ų107.273%0.72849%0.494SS*.Hα-helixtrans-67.9-32.5178.4-77.9175.8-176.4-176.62113.1N35 S36 E37 W41 N42N35-R39 WeakPolarHBondContact O-CB 3.27Å; N35-R39 VanDerWaalsContact O-CG 3.27Å; N35-R39 WeakPolarHBondContact O-CG 3.46Å; N35-R39 PolarHBondContact O-N 2.95Å; S36-R39 PolarHBondContact O-N 3.16Å; E37-R39 VanDerWaalsContact C-N 3.26Å; E37-R39 PolarHBondContact O-N 3.07Å; R39-W41 VanDerWaalsContact C-N 3.27Å; R39-W41 PolarHBondContact O-N 3.11Å; R39-N42 WeakPolarHBondContact O-CB 3.44Å; R39-N42 PolarHBondContact O-N 3.3Å
40K93.3Very high93Very high137 Ų13797.9 Ų97.960%0.59646%0.459SS*.Hα-helixtrans-64-34178.2-68.5174.6-164167.90112.3S36 E37 N42S36-K40 WeakPolarHBondContact O-CG 3.46Å; S36-K40 PolarHBondContact O-N 3.29Å; E37-K40 WeakPolarHBondContact O-CB 3.47Å; E37-K40 PolarHBondContact O-N 3.41Å; E37-K40 VanDerWaalsContact O-N 3.11Å; E37-K40 IonicContact OE1-NZ 2.69Å; E37-K40 PolarHBondContact OE1-NZ 3.27Å; E37-K40 IonicContact OE2-NZ 2.89Å; E37-K40 PolarHBondContact OE2-NZ 3.42Å; K40-N42 VanDerWaalsContact C-N 3.3Å
41W91.3Very high92.8Very high208 Ų208100.4 Ų100.479%0.78847%0.468SS*.THydrogen-bonded Turntrans-89.38.8-179.1-62106.6000113.8E37 R38 R39 D43E37-W41 VanDerWaalsContact O-CD1 3.23Å; R38-W41 PolarHBondContact O-N 2.88Å; R39-W41 VanDerWaalsContact C-N 3.27Å; R39-W41 PolarHBondContact O-N 3.11Å; W41-D43 PolarHBondContact O-N 2.9Å
42N90.6Very high92.7Very high69 Ų69103.1 Ų103.137%0.36948%0.484SS..  trans-93.370.4176.2-171.835.5000111.8R39 K40 R278R39-N42 WeakPolarHBondContact O-CB 3.44Å; R39-N42 PolarHBondContact O-N 3.3Å; K40-N42 VanDerWaalsContact C-N 3.3Å; N42-R278 VanDerWaalsContact CG-NH2 3.27Å; N42-R278 PolarHBondContact ND2-NH1 2.99Å; N42-R278 PolarHBondContact ND2-NH2 3.44Å; N42-R278 PolarHBondContact OD1-NH1 3.37Å; N42-R278 PolarHBondContact OD1-NH2 2.89Å; N42-R278 VanDerWaalsContact OD1-NH2 3.17Å
43D92.6Very high92.6Very high137 Ų137101.7 Ų101.773%0.73348%0.476SS*.  trans-75.8-42.3-174.360.1-16.3000113.1W41W41-D43 PolarHBondContact O-N 2.9Å
44I92.8Very high92.4Very high71 Ų71101.5 Ų101.536%0.36448%0.482SS..  trans-142.9131.7-172.5-57.1179.4000111.4K48 L49I44-K48 HydrophobicContact CG2-CB 4.17Å; I44-K48 HydrophobicContact CG2-CD 4.28Å; I44-K48 HydrophobicContact CG2-CG 4.48Å; I44-L49 HydrophobicContact CG2-CD1 4.37Å; I44-L49 HydrophobicContact CG2-CD2 4.14Å; I44-L49 HydrophobicContact CG2-CG 3.85Å
45P92.7Very high92.4Very high72 Ų72101.2 Ų101.247%0.46849%0.485SS..  trans-72.3144.2171.330.4-34.2000111.5T47 K48P45-T47 PolarHBondContact O-N 2.79Å; P45-K48 HydrophobicContact CG-CB 4.05Å; P45-K48 PolarHBondContact O-N 2.7Å; P45-K48 VanDerWaalsContact O-N 3.1Å
46I92Very high92.3Very high40 Ų40100.4 Ų100.421%0.20548%0.48CS..Hα-helixtrans-56.6-34.6-178.5-168.6172.1000113.5K48 L49 A50 V280 C281 L319I46-K48 VanDerWaalsContact C-N 3.29Å; I46-K48 PolarHBondContact O-N 2.77Å; I46-L49 PolarHBondContact O-N 3.42Å; I46-L49 VanDerWaalsContact O-N 3.13Å; I46-A50 WeakPolarHBondContact O-CB 3.37Å; I46-A50 PolarHBondContact O-N 3.4Å; I46-V280 VanDerWaalsContact CG2-O 3.3Å; I46-V280 WeakPolarHBondContact CG2-O 3.47Å; I46-C281 WeakPolarHBondContact CG2-SG 3.33Å; I46-L319 HydrophobicContact CD1-CD2 4.18Å
47T91.3Very high91.8Very high65 Ų65102.6 Ų102.640%0.39949%0.492SS..Hα-helixtrans-60.2-38.6179.349.50000112.2P45 A50 E51 C321P45-T47 PolarHBondContact O-N 2.79Å; T47-A50 PolarHBondContact O-N 3.28Å; T47-E51 PolarHBondContact O-N 3.45Å; T47-C321 HydrophobicContact CG2-CB 4.04Å
48K93.5Very high91Very high127 Ų127106.5 Ų106.555%0.55252%0.515SS*.Hα-helixtrans-68.5-35177.1-172.7174.8-178.6-179.60112.3I44 P45 I46I44-K48 HydrophobicContact CG2-CB 4.17Å; I44-K48 HydrophobicContact CG2-CD 4.28Å; I44-K48 HydrophobicContact CG2-CG 4.48Å; P45-K48 HydrophobicContact CG-CB 4.05Å; P45-K48 PolarHBondContact O-N 2.7Å; P45-K48 VanDerWaalsContact O-N 3.1Å; I46-K48 VanDerWaalsContact C-N 3.29Å; I46-K48 PolarHBondContact O-N 2.77Å
49L91.7Very high90.8Very high107 Ų107106.3 Ų106.356%0.5652%0.518SS*.Hα-helixtrans-69.7-36.3173-67.1172.4000111.3I44 I46 E51I44-L49 HydrophobicContact CG2-CD1 4.37Å; I44-L49 HydrophobicContact CG2-CD2 4.14Å; I44-L49 HydrophobicContact CG2-CG 3.85Å; I46-L49 PolarHBondContact O-N 3.42Å; I46-L49 VanDerWaalsContact O-N 3.13Å; L49-E51 VanDerWaalsContact C-N 3.31Å; L49-E51 PolarHBondContact O-N 3.3Å
50A93.1Very high90.8Very high2 Ų2102.6 Ų102.62%0.01751%0.513CS..Hα-helixtrans-76.3-11.9-177.700000114.7I46 T47 K52 L53 L319 K320I46-A50 WeakPolarHBondContact O-CB 3.37Å; I46-A50 PolarHBondContact O-N 3.4Å; T47-A50 PolarHBondContact O-N 3.28Å; A50-K52 PolarHBondContact O-N 2.85Å; A50-L53 HydrophobicContact CB-CD1 4.28Å; A50-L53 WeakPolarHBondContact O-CB 3.33Å; A50-L53 PolarHBondContact O-N 2.68Å; A50-L319 HydrophobicContact CB-CB 3.99Å; A50-L319 WeakPolarHBondContact CB-O 3.3Å; A50-K320 HydrophobicContact CB-CG 4.11Å; A50-K320 PolarHBondContact O-NZ 3.03Å
51E92.1Very high91Very high147 Ų14797.4 Ų97.469%0.68749%0.491SS*.THydrogen-bonded Turntrans-55.3-32.3175.1-76.5173.7-170.300112.6T47 L49 L53T47-E51 PolarHBondContact O-N 3.45Å; L49-E51 VanDerWaalsContact C-N 3.31Å; L49-E51 PolarHBondContact O-N 3.3Å; E51-L53 VanDerWaalsContact C-N 3.28Å; E51-L53 PolarHBondContact O-N 2.88Å
52K91.9Very high91.2Very high195 Ų19592.7 Ų92.785%0.84848%0.476SS*.THydrogen-bonded Turntrans-74.5-16.4179.5-63.1-179.5-178.2177.20113.9A50A50-K52 PolarHBondContact O-N 2.85Å
53L92.7Very high91.5Very high76 Ų7693.1 Ų93.140%0.39848%0.476SS..SBendtrans-83.3154.2-176.4-62.2172.2000109.9A50 E51 L319 K320A50-L53 HydrophobicContact CB-CD1 4.28Å; A50-L53 WeakPolarHBondContact O-CB 3.33Å; A50-L53 PolarHBondContact O-N 2.68Å; E51-L53 VanDerWaalsContact C-N 3.28Å; E51-L53 PolarHBondContact O-N 2.88Å; L53-L319 HydrophobicContact CD1-CB 4.17Å; L53-L319 HydrophobicContact CD1-CD1 3.43Å; L53-L319 VanDerWaalsContact CD1-CD1 3.43Å; L53-L319 HydrophobicContact CD1-CG 4.42Å; L53-K320 VanDerWaalsContact CB-NZ 3.35Å; L53-K320 VanDerWaalsContact O-CE 3.31Å; L53-K320 WeakPolarHBondContact O-CE 3.44Å; L53-K320 PolarHBondContact O-NZ 3.09Å
54E92.6Very high91.8Very high168 Ų16892.4 Ų92.479%0.78546%0.463SS*.PPolyproline II helixtrans-70.6139.4170.8-65.8-177.8167.600111.1R302 K320E54-R302 PolarHBondContact O-NH2 3.46Å; E54-K320 PolarHBondContact O-NZ 3.24Å
55P91.2Very high92Very high75 Ų7593.5 Ų93.549%0.48746%0.463SS..PPolyproline II helixtrans-70.6143.4173.829.7-33.3000110.4T57 K320P55-T57 PolarHBondContact O-N 2.94Å; P55-K320 HydrophobicContact CB-CD 4.38Å
56I91Very high92.2Very high38 Ų3892.6 Ų92.620%0.19545%0.453CS..PPolyproline II helixtrans-77.7123.4172.8-62.4172.5000107.8L59 R302 L303 Y322 I324I56-L59 HydrophobicContact CG2-CD1 4.09Å; I56-L59 HydrophobicContact CG2-CD2 4.12Å; I56-L59 HydrophobicContact CG2-CG 3.85Å; I56-R302 HydrophobicContact CD1-CG 3.5Å; I56-R302 VanDerWaalsContact CD1-CG 3.5Å; I56-L303 HydrophobicContact CD1-CD2 3.74Å; I56-Y322 PolarHBondContact N-OH 3.28Å; I56-Y322 VanDerWaalsContact N-OH 3.15Å; I56-Y322 PolarHBondContact O-OH 3.1Å; I56-Y322 VanDerWaalsContact O-OH 3.05Å; I56-I324 HydrophobicContact CB-CD1 4.05Å; I56-I324 HydrophobicContact CD1-CD1 4.09Å; I56-I324 HydrophobicContact CG2-CD1 4.09Å; I56-I324 HydrophobicContact CG2-CG2 4.38Å
57T82.9Confident92.5Very high98 Ų9890.7 Ų90.760%0.60144%0.444SS*.  trans-118.7149.1177.460.50000110P55P55-T57 PolarHBondContact O-N 2.94Å
58N77.9Confident92.8Very high153 Ų15394 Ų9482%0.81845%0.453SS*.  trans59.548.2166.6-56.8-31.5000117.2N60N58-N60 PolarHBondContact O-N 3.46Å; N58-N60 VanDerWaalsContact O-N 3.14Å
59L88.7Confident92.9Very high54 Ų5489.1 Ų89.128%0.28344%0.438SS..  trans-71104.7167.7-70.1-179.4000111I56 I61 L303 I315 I324I56-L59 HydrophobicContact CG2-CD1 4.09Å; I56-L59 HydrophobicContact CG2-CD2 4.12Å; I56-L59 HydrophobicContact CG2-CG 3.85Å; L59-I61 HydrophobicContact CB-CD1 4.4Å; L59-I61 HydrophobicContact CD1-CD1 4.48Å; L59-I61 PolarHBondContact O-N 3.31Å; L59-L303 HydrophobicContact CD1-CD1 3.94Å; L59-L303 HydrophobicContact CD1-CD2 3.93Å; L59-I315 HydrophobicContact CD1-CG2 4.22Å; L59-I324 HydrophobicContact CB-CG2 4.31Å; L59-I324 HydrophobicContact CD1-CB 4.35Å; L59-I324 HydrophobicContact CD1-CD1 4.03Å; L59-I324 HydrophobicContact CD1-CG2 3.69Å; L59-I324 HydrophobicContact CG-CG2 4Å
60N91.9Very high93.1Very high116 Ų11684.4 Ų84.462%0.6241%0.413SS*.  trans-97.258178.8-167.78.6000112N58 K62N58-N60 PolarHBondContact O-N 3.46Å; N58-N60 VanDerWaalsContact O-N 3.14Å; N60-K62 WeakPolarHBondContact OD1-CE 3.49Å
61I95.8Very high93.2Very high27 Ų2791.4 Ų91.414%0.13845%0.445CS..  trans-73130.1178.6-66.2163.5000108.9L59 I315 L327 F346 W358L59-I61 HydrophobicContact CB-CD1 4.4Å; L59-I61 HydrophobicContact CD1-CD1 4.48Å; L59-I61 PolarHBondContact O-N 3.31Å; I61-I315 HydrophobicContact CD1-CD1 3.36Å; I61-L327 HydrophobicContact CB-CD1 4.33Å; I61-L327 HydrophobicContact CB-CD2 4.12Å; I61-L327 HydrophobicContact CG2-CD1 3.76Å; I61-L327 HydrophobicContact CG2-CD2 4.33Å; I61-F346 HydrophobicContact CD1-CE1 4.33Å; I61-F346 HydrophobicContact CG2-CE1 3.86Å; I61-F346 HydrophobicContact CG2-CZ 4.06Å; I61-W358 HydrophobicContact CG2-CB 3.74Å; I61-W358 HydrophobicContact CG2-CE3 4.47Å
62K96.6Very high93.4Very high109 Ų10985 Ų8547%0.47442%0.419SS..  trans-128.3152.6179.4-63.5-175.5-178.3-176.60111N60 R64 W358 A359N60-K62 WeakPolarHBondContact OD1-CE 3.49Å; K62-R64 PolarHBondContact O-N 3.44Å; K62-R64 PolarHBondContact O-NE 3.41Å; K62-W358 WeakPolarHBondContact O-CA 3.17Å; K62-A359 PolarHBondContact N-O 3.36Å; K62-A359 PolarHBondContact O-N 2.61Å; K62-A359 VanDerWaalsContact O-N 3.13Å
63Q96.9Very high93.7Very high78 Ų7878.7 Ų78.736%0.36439%0.391SS..EExtended strand (participates in β ladder)trans-63.3123.8169-174.5-167.7-53.400109.5R356 I357 W358Q63-R356 HydrophobicContact CG-CB 4.3Å; Q63-R356 HydrophobicContact CG-CG 4.21Å; Q63-I357 CarbonylContact C-O 3.55Å; Q63-I357 WeakPolarHBondContact CA-O 3.48Å; Q63-W358 HydrophobicContact CB-CE3 4.01Å; Q63-W358 HydrophobicContact CB-CH2 4.33Å; Q63-W358 HydrophobicContact CB-CZ3 3.91Å
64R97.5Very high94Very high122 Ų12275.1 Ų75.146%0.4637%0.372SS..EExtended strand (participates in β ladder)trans-103.9-32.3179.2-54.2-51.4177.1162.71.5112.9K62 I357 A359K62-R64 PolarHBondContact O-N 3.44Å; K62-R64 PolarHBondContact O-NE 3.41Å; R64-I357 PolarHBondContact N-O 3.01Å; R64-A359 HydrophobicContact CG-CB 3.85Å; R64-A359 VanDerWaalsContact CZ-O 3.24Å; R64-A359 PolarHBondContact NE-O 2.66Å; R64-A359 PolarHBondContact NH2-O 3.16Å
65R97.5Very high94.2Very high95 Ų9568 Ų6836%0.35834%0.34SS..EExtended strand (participates in β ladder)trans-141.3153.6179-57.9-68.6-176-89.5-0.9110.7F101 T103 I357R65-F101 PolarHBondContact NE-O 3.37Å; R65-T103 HydrophobicContact CB-CG2 4.2Å; R65-T103 HydrophobicContact CG-CG2 4.33Å; R65-I357 HydrophobicContact CB-CB 4.04Å; R65-I357 HydrophobicContact CB-CD1 3.87Å; R65-I357 HydrophobicContact CB-CG1 4.18Å; R65-I357 HydrophobicContact CG-CD1 4.23Å; R65-I357 PolarHBondContact N-O 3.26Å; R65-I357 PolarHBondContact O-N 3.43Å
66L97.8Very high94.6Very high52 Ų5265.1 Ų65.127%0.27232%0.321SS..EExtended strand (participates in β ladder)trans-132.4112.8176.1-17960.9000108.1K68 T354 R356L66-K68 HydrophobicContact CD2-CD 4.41Å; L66-K68 HydrophobicContact CD2-CG 4.46Å; L66-K68 HydrophobicContact CG-CG 4.09Å; L66-T354 HydrophobicContact CD1-CG2 4.19Å; L66-R356 HydrophobicContact CD1-CG 3.66Å
67L98Very high94.9Very high1 Ų163.3 Ų63.31%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-92114.4179.6-50.6-177.6000108.6I86 W98 T103 T354 L355L67-I86 HydrophobicContact CD1-CD1 4.37Å; L67-W98 HydrophobicContact CB-CD2 4.25Å; L67-W98 HydrophobicContact CB-CE3 4.03Å; L67-W98 HydrophobicContact CB-CH2 4.31Å; L67-W98 HydrophobicContact CB-CZ3 4.05Å; L67-W98 HydrophobicContact CD1-CB 4.16Å; L67-W98 HydrophobicContact CD1-CD2 4.08Å; L67-W98 HydrophobicContact CD1-CE3 4.46Å; L67-W98 HydrophobicContact CD1-CG 3.94Å; L67-W98 HydrophobicContact CD2-CE3 4.43Å; L67-T103 HydrophobicContact CD2-CG2 3.75Å; L67-T354 WeakPolarHBondContact O-CA 3.27Å; L67-L355 HydrophobicContact CB-CB 4.09Å; L67-L355 HydrophobicContact CB-CD1 4.2Å; L67-L355 HydrophobicContact CD1-CB 4.18Å; L67-L355 HydrophobicContact CG-CB 4.37Å; L67-L355 PolarHBondContact N-O 2.78Å; L67-L355 PolarHBondContact O-N 2.75Å; L67-L355 VanDerWaalsContact O-N 3.14Å
68K97.1Very high95.6Very high135 Ų13559.3 Ų59.359%0.58729%0.287SS*.EExtended strand (participates in β ladder)trans-115.8131.6177.8-63.1-171178.7-174.60110.6L66 K105 T354L66-K68 HydrophobicContact CD2-CD 4.41Å; L66-K68 HydrophobicContact CD2-CG 4.46Å; L66-K68 HydrophobicContact CG-CG 4.09Å; K68-K105 WeakPolarHBondContact O-CE 3.22Å; K68-K105 PolarHBondContact O-NZ 3.47Å; K68-T354 HydrophobicContact CG-CG2 4.22Å
69G95.1Very high96.5Very high23 Ų2352.7 Ų52.724%0.23725%0.251CS..  trans172-31.8175.700000115.6Q71G69-Q71 PolarHBondContact O-NE2 3.1Å
70H97.4Very high96.9Very high8 Ų850.2 Ų50.24%0.03724%0.237CC..  trans-62.2144.2170.1-74.2-57.9000110.6V74 S88 S90 K94H70-V74 HydrophobicContact CB-CG2 4.17Å; H70-S88 PolarHBondContact NE2-OG 3.46Å; H70-S90 WeakPolarHBondContact ND1-CB 3.45Å; H70-K94 PolarHBondContact CE1-O 3.43Å
71Q95.4Very high97Very high149 Ų14949 Ų4970%0.69623%0.231SC*.SBendtrans-101.9-11.5177.5-57.9-59.6-51.700111.9G69 D92G69-Q71 PolarHBondContact O-NE2 3.1Å; Q71-D92 WeakPolarHBondContact CB-OD2 3.42Å; Q71-D92 PolarHBondContact N-OD2 2.83Å
72G96Very high97Very high12 Ų1251 Ų5112%0.12424%0.242CC..SBendtrans-124.3179.9171.900000112.7V74 S90 D92 S353G72-V74 PolarHBondContact O-N 3.28Å; G72-S90 PolarHBondContact O-OG 3.19Å; G72-D92 PolarHBondContact N-OD2 3.13Å; G72-S353 VanDerWaalsContact C-OG 3.31Å; G72-S353 WeakPolarHBondContact O-CA 3.41Å; G72-S353 WeakPolarHBondContact O-CB 3.04Å; G72-S353 PolarHBondContact O-OG 2.85Å
73K98Very high96.9Very high64 Ų6451.1 Ų51.128%0.27824%0.243SC..  trans-50.6126.7177.8-57.8172.6177.3-175.60110.9L75 S90 H91 W351K73-L75 HydrophobicContact CB-CD2 4.2Å; K73-S90 VanDerWaalsContact O-CA 3.3Å; K73-S90 WeakPolarHBondContact O-CA 3.42Å; K73-S90 PolarHBondContact O-OG 3Å; K73-H91 HydrophobicContact CB-CB 4.03Å; K73-H91 PolarHBondContact O-N 3.25Å; K73-W351 HydrophobicContact CB-CB 4.13Å; K73-W351 HydrophobicContact CB-CG 3.92Å; K73-W351 HydrophobicContact CD-CB 4.28Å; K73-W351 HydrophobicContact CD-CD2 3.66Å; K73-W351 HydrophobicContact CD-CE3 3.89Å; K73-W351 HydrophobicContact CD-CG 3.85Å; K73-W351 HydrophobicContact CD-CZ3 4.46Å; K73-W351 HydrophobicContact CG-CB 3.89Å; K73-W351 HydrophobicContact CG-CD2 4.24Å; K73-W351 HydrophobicContact CG-CG 3.88Å
74V98.4Very high96.8Very high0 Ų052.3 Ų52.30%024%0.244CC..EExtended strand (participates in β ladder)trans-77.1127.7170.8-167.10000107.6H70 G72 S89 S335 A349 S350 L355H70-V74 HydrophobicContact CB-CG2 4.17Å; G72-V74 PolarHBondContact O-N 3.28Å; V74-S89 WeakPolarHBondContact CG1-O 3.42Å; V74-S335 WeakPolarHBondContact O-CB 2.94Å; V74-S335 PolarHBondContact O-OG 3.31Å; V74-A349 HydrophobicContact CB-CB 4.04Å; V74-A349 HydrophobicContact CG1-CB 3.63Å; V74-S350 WeakPolarHBondContact CB-O 3.2Å; V74-S350 PolarHBondContact N-O 2.96Å; V74-L355 HydrophobicContact CG1-CD1 4.2Å; V74-L355 HydrophobicContact CG1-CD2 4.15Å; V74-L355 HydrophobicContact CG1-CG 4.11Å; V74-L355 HydrophobicContact CG2-CD1 4.15Å; V74-L355 HydrophobicContact CG2-CG 4.46Å
75L97.9Very high96.8Very high19 Ų1948 Ų4810%0.09923%0.229CC..EExtended strand (participates in β ladder)trans-103.7-46.6-171.9-61179.2000111.5K73 S89 H91 W115 I116 M117K73-L75 HydrophobicContact CB-CD2 4.2Å; L75-S89 PolarHBondContact N-O 3.36Å; L75-H91 HydrophobicContact CD1-CB 4.29Å; L75-W115 HydrophobicContact CD1-CB 4.47Å; L75-W115 HydrophobicContact CD1-CE3 3.77Å; L75-W115 HydrophobicContact CD1-CZ3 4.46Å; L75-W115 HydrophobicContact CD2-CE3 4.26Å; L75-W115 HydrophobicContact CD2-CZ3 4.14Å; L75-I116 WeakPolarHBondContact CD1-O 3.32Å; L75-M117 HydrophobicContact CD1-CG 4.08Å
76C97.8Very high96.9Very high14 Ų1443.4 Ų43.410%0.09521%0.211CC..EExtended strand (participates in β ladder)trans-139.7161.8-179.9-173.20000111.1S88 S89 M117C76-S88 WeakPolarHBondContact O-CA 3.5Å; C76-S89 WeakPolarHBondContact CB-OG 3.37Å; C76-S89 PolarHBondContact N-OG 2.87Å; C76-S89 PolarHBondContact O-N 2.84Å; C76-S89 PolarHBondContact O-OG 3.02Å; C76-M117 WeakPolarHBondContact CB-O 3.06Å
77M97.8Very high96.9Very high0 Ų041 Ų410%020%0.198CC..EExtended strand (participates in β ladder)trans-153.4156.5173.567.9112.463.900111.6I86 V87 M338 C347 A349 L355M77-I86 HydrophobicContact CB-CG2 4.4Å; M77-I86 HydrophobicContact CE-CD1 4.12Å; M77-I86 HydrophobicContact CE-CG2 3.56Å; M77-I86 HydrophobicContact SD-CG2 4.45Å; M77-V87 CarbonylContact C-O 3.58Å; M77-V87 WeakPolarHBondContact CA-O 3.41Å; M77-V87 WeakPolarHBondContact CB-O 3.47Å; M77-M338 HydrophobicContact SD-CB 4.02Å; M77-C347 HydrophobicContact CE-CB 3.26Å; M77-C347 WeakPolarHBondContact CE-SG 3.31Å; M77-C347 HydrophobicContact SD-CB 4.02Å; M77-A349 HydrophobicContact CB-CB 4.49Å; M77-A349 HydrophobicContact CG-CB 4.16Å; M77-L355 HydrophobicContact CB-CD2 3.92Å; M77-L355 HydrophobicContact CE-CD2 3.44Å; M77-L355 VanDerWaalsContact CE-CD2 3.44Å; M77-L355 HydrophobicContact CG-CD2 4.39Å
78D98.1Very high96.9Very high15 Ų1540.9 Ų40.98%0.0820%0.198CC..EExtended strand (participates in β ladder)trans-143.9142.9177.1-159.625.5000111.1I86 V87 A120 Y121 R166 M338D78-I86 WeakPolarHBondContact O-CA 3.31Å; D78-V87 HydrophobicContact CB-CG1 3.69Å; D78-V87 PolarHBondContact N-O 2.79Å; D78-V87 PolarHBondContact O-N 3.17Å; D78-A120 VanDerWaalsContact OD2-CA 3.25Å; D78-A120 WeakPolarHBondContact OD2-CA 3.4Å; D78-Y121 PolarHBondContact OD2-N 3.01Å; D78-R166 IonicContact OD1-CZ 3.6Å; D78-R166 IonicContact OD1-NH1 3.91Å; D78-R166 PolarHBondContact OD1-NH1 2.83Å; D78-R166 IonicContact OD2-NH1 3.41Å; D78-R166 PolarHBondContact OD2-NH1 3.08Å; D78-M338 WeakPolarHBondContact OD1-CE 3.24Å
79W97.7Very high97Very high14 Ų1434.5 Ų34.55%0.05317%0.17CC..EExtended strand (participates in β ladder)trans-86142174.6-77.394.1000110.9I86 A100 M338 P341 C347 I357W79-I86 HydrophobicContact CD2-CD1 3.95Å; W79-I86 HydrophobicContact CD2-CG1 3.67Å; W79-I86 HydrophobicContact CE3-CD1 3.87Å; W79-I86 HydrophobicContact CE3-CG1 3.43Å; W79-I86 VanDerWaalsContact CE3-CG1 3.43Å; W79-I86 HydrophobicContact CG-CG1 4.38Å; W79-I86 HydrophobicContact CH2-CD1 3.57Å; W79-I86 HydrophobicContact CH2-CG1 4.09Å; W79-I86 HydrophobicContact CZ2-CD1 3.63Å; W79-I86 HydrophobicContact CZ2-CG1 4.28Å; W79-I86 HydrophobicContact CZ3-CD1 3.68Å; W79-I86 HydrophobicContact CZ3-CG1 3.65Å; W79-A100 HydrophobicContact CH2-CB 4.32Å; W79-A100 HydrophobicContact CZ3-CB 4.13Å; W79-M338 HydrophobicContact CB-SD 4.32Å; W79-M338 PolarHBondContact NE1-O 3.19Å; W79-P341 HydrophobicContact CB-CG 4.25Å; W79-C347 HydrophobicContact CZ2-CB 3.67Å; W79-I357 HydrophobicContact CH2-CD1 4.38Å; W79-I357 HydrophobicContact CH2-CG2 4.44Å
80C96.8Very high97.1Very high1 Ų133.4 Ų33.41%0.00716%0.159CC..  trans-75145.6166.2-174.80000110.2D82 K83 H85 Y121 S125 P341C80-D82 WeakPolarHBondContact CB-OD1 3.45Å; C80-D82 PolarHBondContact O-N 3.39Å; C80-D82 VanDerWaalsContact O-N 3.07Å; C80-D82 PolarHBondContact SG-OD2 3.27Å; C80-K83 PolarHBondContact O-N 2.85Å; C80-H85 HydrophobicContact CB-CB 3.69Å; C80-H85 VanDerWaalsContact CB-O 3.24Å; C80-H85 WeakPolarHBondContact CB-O 3.4Å; C80-H85 PolarHBondContact N-O 3.1Å; C80-Y121 HydrophobicContact CB-CD1 4.36Å; C80-Y121 HydrophobicContact CB-CD2 3.82Å; C80-Y121 HydrophobicContact CB-CE1 4.33Å; C80-Y121 HydrophobicContact CB-CE2 3.76Å; C80-Y121 HydrophobicContact CB-CG 4.13Å; C80-S125 WeakPolarHBondContact SG-CB 3.24Å; C80-S125 PolarHBondContact SG-OG 3.3Å; C80-P341 WeakPolarHBondContact O-CG 3.42Å
81N93.9Very high97.1Very high90 Ų9035.8 Ų35.848%0.48117%0.17SC..THydrogen-bonded Turntrans-61.8-15.4178.2-79.2-20.2000114.3K83 P123N81-K83 PolarHBondContact O-N 2.54Å; N81-P123 WeakPolarHBondContact ND2-CA 3.3Å; N81-P123 PolarHBondContact ND2-O 2.72Å; N81-P123 VanDerWaalsContact ND2-O 3.1Å
82D94.5Very high97Very high69 Ų6930.7 Ų30.737%0.36915%0.148SC..THydrogen-bonded Turntrans-73.3-1.9173.165.722.5000114.4C80 R84 H85C80-D82 WeakPolarHBondContact CB-OD1 3.45Å; C80-D82 PolarHBondContact O-N 3.39Å; C80-D82 VanDerWaalsContact O-N 3.07Å; C80-D82 PolarHBondContact SG-OD2 3.27Å; D82-R84 PolarHBondContact O-N 3.3Å; D82-R84 PolarHBondContact OD1-N 2.84Å; D82-H85 PolarHBondContact OD1-N 2.75Å; D82-H85 IonicContact OD1-ND1 3.63Å; D82-H85 PolarHBondContact OD1-ND1 3.37Å; D82-H85 IonicContact OD2-CE1 2.67Å; D82-H85 IonicContact OD2-CG 3.26Å; D82-H85 IonicContact OD2-ND1 3.61Å; D82-H85 PolarHBondContact OD2-ND1 3.31Å
83K95.1Very high97Very high113 Ų11330.2 Ų30.249%0.49114%0.143SC..SBendtrans70.47.3176.6-46.2149.2-177.3-174.40114.3C80 N81 P341 D342C80-K83 PolarHBondContact O-N 2.85Å; N81-K83 PolarHBondContact O-N 2.54Å; K83-P341 HydrophobicContact CG-CB 4.19Å; K83-P341 HydrophobicContact CG-CG 4.48Å; K83-D342 HydrophobicContact CD-CB 3.8Å; K83-D342 HydrophobicContact CG-CB 3.96Å
84R95.8Very high97Very high103 Ų10330.7 Ų30.739%0.38915%0.145SC..SBendtrans-125.2-42.9-172.2179.5170.9179.1170.3-8.2112.5D82 D99 A100 F101D82-R84 PolarHBondContact O-N 3.3Å; D82-R84 PolarHBondContact OD1-N 2.84Å; R84-D99 VanDerWaalsContact CG-OD1 3.27Å; R84-D99 WeakPolarHBondContact CG-OD1 3.48Å; R84-D99 IonicContact CZ-OD1 3.6Å; R84-D99 IonicContact CZ-OD2 3.29Å; R84-D99 VanDerWaalsContact CZ-OD2 3.29Å; R84-D99 IonicContact NE-OD1 2.75Å; R84-D99 PolarHBondContact NE-OD1 3Å; R84-D99 IonicContact NE-OD2 3.16Å; R84-D99 PolarHBondContact NE-OD2 3.21Å; R84-D99 VanDerWaalsContact NE-OD2 3.16Å; R84-D99 IonicContact NH2-OD1 3.64Å; R84-D99 IonicContact NH2-OD2 2.66Å; R84-D99 PolarHBondContact NH2-OD2 3.29Å; R84-A100 WeakPolarHBondContact O-CB 3.17Å; R84-A100 PolarHBondContact O-N 3.25Å; R84-F101 HydrophobicContact CG-CB 4.06Å
85H97.6Very high96.9Very high30 Ų3030.7 Ų30.714%0.13915%0.145CC..EExtended strand (participates in β ladder)trans-87.8148.7-175.9-60.588.3000111.7C80 D82 W98 E106 Y121C80-H85 HydrophobicContact CB-CB 3.69Å; C80-H85 VanDerWaalsContact CB-O 3.24Å; C80-H85 WeakPolarHBondContact CB-O 3.4Å; C80-H85 PolarHBondContact N-O 3.1Å; D82-H85 PolarHBondContact OD1-N 2.75Å; D82-H85 IonicContact OD1-ND1 3.63Å; D82-H85 PolarHBondContact OD1-ND1 3.37Å; D82-H85 IonicContact OD2-CE1 2.67Å; D82-H85 IonicContact OD2-CG 3.26Å; D82-H85 IonicContact OD2-ND1 3.61Å; D82-H85 PolarHBondContact OD2-ND1 3.31Å; H85-W98 CarbonylContact C-O 3.59Å; H85-W98 WeakPolarHBondContact CA-O 3.39Å; H85-W98 WeakPolarHBondContact CB-O 3.3Å; H85-W98 PolarHBondContact CD2-O 3Å; H85-E106 IonicContact CD2-OE1 3.47Å; H85-E106 IonicContact CD2-OE2 3.22Å; H85-E106 PolarHBondContact CD2-OE2 3.25Å; H85-E106 IonicContact NE2-OE1 3.79Å; H85-E106 PolarHBondContact NE2-OE1 2.87Å; H85-E106 IonicContact NE2-OE2 3.14Å; H85-E106 PolarHBondContact NE2-OE2 2.97Å; H85-Y121 HydrophobicContact CB-CE2 4.46Å
86I98.1Very high96.9Very high0 Ų030 Ų300%014%0.141CC..EExtended strand (participates in β ladder)trans-131.6138.5178.1-65.2176.1000107.9L67 M77 D78 W79 V97 W98 A100 C347 I357L67-I86 HydrophobicContact CD1-CD1 4.37Å; M77-I86 HydrophobicContact CB-CG2 4.4Å; M77-I86 HydrophobicContact CE-CD1 4.12Å; M77-I86 HydrophobicContact CE-CG2 3.56Å; M77-I86 HydrophobicContact SD-CG2 4.45Å; D78-I86 WeakPolarHBondContact O-CA 3.31Å; W79-I86 HydrophobicContact CD2-CD1 3.95Å; W79-I86 HydrophobicContact CD2-CG1 3.67Å; W79-I86 HydrophobicContact CE3-CD1 3.87Å; W79-I86 HydrophobicContact CE3-CG1 3.43Å; W79-I86 VanDerWaalsContact CE3-CG1 3.43Å; W79-I86 HydrophobicContact CG-CG1 4.38Å; W79-I86 HydrophobicContact CH2-CD1 3.57Å; W79-I86 HydrophobicContact CH2-CG1 4.09Å; W79-I86 HydrophobicContact CZ2-CD1 3.63Å; W79-I86 HydrophobicContact CZ2-CG1 4.28Å; W79-I86 HydrophobicContact CZ3-CD1 3.68Å; W79-I86 HydrophobicContact CZ3-CG1 3.65Å; I86-V97 CarbonylContact O-C 3.59Å; I86-V97 WeakPolarHBondContact O-CA 3.22Å; I86-W98 PolarHBondContact N-O 2.94Å; I86-W98 VanDerWaalsContact O-CD1 3.31Å; I86-W98 PolarHBondContact O-N 2.7Å; I86-A100 HydrophobicContact CD1-CB 3.46Å; I86-A100 VanDerWaalsContact CD1-CB 3.46Å; I86-A100 HydrophobicContact CG1-CB 3.79Å; I86-C347 HydrophobicContact CD1-CB 4.03Å; I86-I357 HydrophobicContact CD1-CD1 4.2Å; I86-I357 HydrophobicContact CD1-CG1 4.47Å
87V98.1Very high96.8Very high0 Ų029.4 Ų29.40%014%0.137CC..EExtended strand (participates in β ladder)trans-104.7143.1165.664.30000107.9M77 D78 V95 I96 V97 C119 Y121 V128M77-V87 CarbonylContact C-O 3.58Å; M77-V87 WeakPolarHBondContact CA-O 3.41Å; M77-V87 WeakPolarHBondContact CB-O 3.47Å; D78-V87 HydrophobicContact CB-CG1 3.69Å; D78-V87 PolarHBondContact N-O 2.79Å; D78-V87 PolarHBondContact O-N 3.17Å; V87-V95 HydrophobicContact CG2-CG1 3.4Å; V87-V95 VanDerWaalsContact CG2-CG1 3.4Å; V87-I96 WeakPolarHBondContact CA-O 3.13Å; V87-V97 HydrophobicContact CB-CG2 4.42Å; V87-V97 HydrophobicContact CG2-CG2 4.24Å; V87-C119 HydrophobicContact CG1-CB 4.39Å; V87-C119 HydrophobicContact CG2-CB 4.24Å; V87-Y121 HydrophobicContact CB-CD2 3.81Å; V87-Y121 HydrophobicContact CB-CE2 3.59Å; V87-Y121 HydrophobicContact CG1-CD2 3.48Å; V87-Y121 VanDerWaalsContact CG1-CD2 3.48Å; V87-Y121 HydrophobicContact CG1-CE2 3.84Å; V87-Y121 HydrophobicContact CG1-CG 4.16Å; V87-Y121 VanDerWaalsContact N-CE2 3.27Å; V87-V128 HydrophobicContact CB-CG2 4.39Å; V87-V128 HydrophobicContact CG2-CG1 3.72Å; V87-V128 HydrophobicContact CG2-CG2 4.19Å
88S98.5Very high96.8Very high0 Ų029.4 Ų29.40%014%0.137CC..EExtended strand (participates in β ladder)trans-143.5143.5177.962.70000110.5H70 C76 V95 I96 W98H70-S88 PolarHBondContact NE2-OG 3.46Å; C76-S88 WeakPolarHBondContact O-CA 3.5Å; S88-V95 CarbonylContact O-C 3.59Å; S88-V95 VanDerWaalsContact O-CA 3.25Å; S88-V95 WeakPolarHBondContact O-CA 3.3Å; S88-V95 WeakPolarHBondContact O-CG1 3.43Å; S88-I96 PolarHBondContact N-O 3.41Å; S88-I96 PolarHBondContact O-N 3.45Å; S88-I96 PolarHBondContact OG-O 3.17Å; S88-W98 PolarHBondContact OG-NE1 3.21Å
89S98.1Very high96.8Very high0 Ų028.9 Ų28.90%013%0.134CC..EExtended strand (participates in β ladder)trans-116.3146.8-179.848.40000110.7V74 L75 C76 I116 C119V74-S89 WeakPolarHBondContact CG1-O 3.42Å; L75-S89 PolarHBondContact N-O 3.36Å; C76-S89 WeakPolarHBondContact CB-OG 3.37Å; C76-S89 PolarHBondContact N-OG 2.87Å; C76-S89 PolarHBondContact O-N 2.84Å; C76-S89 PolarHBondContact O-OG 3.02Å; S89-I116 VanDerWaalsContact CB-CG2 3.49Å; S89-I116 VanDerWaalsContact CB-O 3.32Å; S89-I116 WeakPolarHBondContact CB-O 3.48Å; S89-I116 PolarHBondContact OG-O 2.71Å; S89-C119 PolarHBondContact OG-SG 3.2Å
90S98.1Very high96.7Very high0 Ų028.4 Ų28.40%013%0.133CC..EExtended strand (participates in β ladder)trans-127.9157.1-177.9-179.70000112.6H70 G72 K73 D92 G93 K94 I116H70-S90 WeakPolarHBondContact ND1-CB 3.45Å; G72-S90 PolarHBondContact O-OG 3.19Å; K73-S90 VanDerWaalsContact O-CA 3.3Å; K73-S90 WeakPolarHBondContact O-CA 3.42Å; K73-S90 PolarHBondContact O-OG 3Å; S90-D92 VanDerWaalsContact CB-OD1 3.24Å; S90-D92 WeakPolarHBondContact CB-OD1 3.4Å; S90-D92 PolarHBondContact O-N 2.92Å; S90-D92 PolarHBondContact OG-N 2.79Å; S90-D92 PolarHBondContact OG-OD1 2.91Å; S90-G93 PolarHBondContact O-N 2.92Å; S90-K94 PolarHBondContact N-O 3.22Å; S90-I116 PolarHBondContact O-N 3.1Å
91H96.6Very high96.6Very high58 Ų5834.7 Ų34.727%0.26916%0.161SC..THydrogen-bonded Turntrans-52.5-33.7168.7171.7-78000113K73 L75 G93 T114 W115K73-H91 HydrophobicContact CB-CB 4.03Å; K73-H91 PolarHBondContact O-N 3.25Å; L75-H91 HydrophobicContact CD1-CB 4.29Å; H91-G93 PolarHBondContact O-N 2.83Å; H91-G93 VanDerWaalsContact O-N 3.15Å; H91-T114 WeakPolarHBondContact O-CA 3.42Å; H91-T114 VanDerWaalsContact O-CB 3.25Å; H91-T114 WeakPolarHBondContact O-CB 3.48Å; H91-W115 AromaticContact CD2-CD1 3.75Å; H91-W115 AromaticContact CD2-CD2 3.39Å; H91-W115 AromaticContact CD2-CE2 3.06Å; H91-W115 AromaticContact CD2-CE3 3.94Å; H91-W115 AromaticContact CD2-CG 3.84Å; H91-W115 AromaticContact CD2-CH2 3.91Å; H91-W115 AromaticContact CD2-CZ2 3.36Å; H91-W115 WeakPolarHBondContact CD2-CZ2 3.38Å; H91-W115 AromaticContact CD2-NE1 3.3Å; H91-W115 PolarHBondContact CD2-NE1 3.47Å; H91-W115 VanDerWaalsContact CD2-NE1 3.3Å; H91-W115 AromaticContact NE2-CD1 3.74Å; H91-W115 AromaticContact NE2-CE2 3.26Å; H91-W115 VanDerWaalsContact NE2-CE2 3.26Å; H91-W115 AromaticContact NE2-CZ2 3.54Å; H91-W115 AromaticContact NE2-NE1 3.06Å; H91-W115 PolarHBondContact NE2-NE1 3.21Å; H91-W115 PolarHBondContact O-N 2.98Å
92D95.2Very high96.8Very high42 Ų4232.8 Ų32.823%0.22515%0.152CC..THydrogen-bonded Turntrans-73.31.8-176.169.24000114.5Q71 G72 S90 K94Q71-D92 WeakPolarHBondContact CB-OD2 3.42Å; Q71-D92 PolarHBondContact N-OD2 2.83Å; G72-D92 PolarHBondContact N-OD2 3.13Å; S90-D92 VanDerWaalsContact CB-OD1 3.24Å; S90-D92 WeakPolarHBondContact CB-OD1 3.4Å; S90-D92 PolarHBondContact O-N 2.92Å; S90-D92 PolarHBondContact OG-N 2.79Å; S90-D92 PolarHBondContact OG-OD1 2.91Å; D92-K94 VanDerWaalsContact OD1-CB 3.28Å; D92-K94 WeakPolarHBondContact OD1-CB 3.29Å; D92-K94 PolarHBondContact OD1-N 2.6Å
93G95.6Very high96.9Very high2 Ų232.1 Ų32.12%0.02115%0.151CC..SBendtrans85.410.8-178.800000113.9S90 H91 M111 T113 I116S90-G93 PolarHBondContact O-N 2.92Å; H91-G93 PolarHBondContact O-N 2.83Å; H91-G93 VanDerWaalsContact O-N 3.15Å; G93-M111 PolarHBondContact O-N 2.82Å; G93-T113 WeakPolarHBondContact CA-O 3.24Å; G93-I116 WeakPolarHBondContact O-CD1 3.4Å
94K96.7Very high96.9Very high74 Ų7431.4 Ų31.432%0.32215%0.153SC..EExtended strand (participates in β ladder)trans-101.9140.9175.6-62.9-179.8179.4175.40112.5H70 S90 D92 I109H70-K94 PolarHBondContact CE1-O 3.43Å; S90-K94 PolarHBondContact N-O 3.22Å; D92-K94 VanDerWaalsContact OD1-CB 3.28Å; D92-K94 WeakPolarHBondContact OD1-CB 3.29Å; D92-K94 PolarHBondContact OD1-N 2.6Å; K94-I109 CarbonylContact C-O 3.51Å; K94-I109 WeakPolarHBondContact CA-O 3.16Å
95V97.1Very high96.9Very high0 Ų031.8 Ų31.80%016%0.157CC..EExtended strand (participates in β ladder)trans-115125.7164.3-175.30000107.8V87 S88 A108 I109 I116 V128 C130V87-V95 HydrophobicContact CG2-CG1 3.4Å; V87-V95 VanDerWaalsContact CG2-CG1 3.4Å; S88-V95 CarbonylContact O-C 3.59Å; S88-V95 VanDerWaalsContact O-CA 3.25Å; S88-V95 WeakPolarHBondContact O-CA 3.3Å; S88-V95 WeakPolarHBondContact O-CG1 3.43Å; V95-A108 WeakPolarHBondContact O-CA 3.38Å; V95-I109 HydrophobicContact CB-CB 4.29Å; V95-I109 PolarHBondContact N-O 3.33Å; V95-I109 PolarHBondContact O-N 3.04Å; V95-I116 HydrophobicContact CG2-CD1 3.58Å; V95-I116 HydrophobicContact CG2-CG2 4.03Å; V95-V128 HydrophobicContact CG1-CG1 4.32Å; V95-C130 HydrophobicContact CG2-CB 3.89Å
96I97.2Very high96.7Very high5 Ų534.5 Ų34.53%0.02617%0.17CC..EExtended strand (participates in β ladder)trans-117.4131.2-180-58.3174.7000108.7V87 S88 W98 K105 H107V87-I96 WeakPolarHBondContact CA-O 3.13Å; S88-I96 PolarHBondContact N-O 3.41Å; S88-I96 PolarHBondContact O-N 3.45Å; S88-I96 PolarHBondContact OG-O 3.17Å; I96-W98 HydrophobicContact CB-CZ2 3.76Å; I96-W98 HydrophobicContact CD1-CH2 4.02Å; I96-W98 HydrophobicContact CD1-CZ2 3.72Å; I96-W98 HydrophobicContact CG1-CZ2 4.33Å; I96-W98 HydrophobicContact CG2-CD2 3.67Å; I96-W98 HydrophobicContact CG2-CE3 4.16Å; I96-W98 HydrophobicContact CG2-CG 4.16Å; I96-W98 HydrophobicContact CG2-CH2 4.08Å; I96-W98 HydrophobicContact CG2-CZ2 3.56Å; I96-W98 HydrophobicContact CG2-CZ3 4.36Å; I96-W98 PolarHBondContact O-NE1 3.13Å; I96-K105 HydrophobicContact CG2-CB 4.2Å; I96-K105 HydrophobicContact CG2-CD 4.35Å; I96-K105 HydrophobicContact CG2-CG 4.01Å; I96-H107 WeakPolarHBondContact CA-O 3.36Å
97V97.2Very high96.5Very high1 Ų135.6 Ų35.61%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-95.9126.1166.3169.80000108.5I86 V87 E106 H107 Y121 V128 L142I86-V97 CarbonylContact O-C 3.59Å; I86-V97 WeakPolarHBondContact O-CA 3.22Å; V87-V97 HydrophobicContact CB-CG2 4.42Å; V87-V97 HydrophobicContact CG2-CG2 4.24Å; V97-E106 HydrophobicContact CG1-CB 4.29Å; V97-E106 PolarHBondContact O-N 2.78Å; V97-H107 HydrophobicContact CB-CB 3.94Å; V97-H107 HydrophobicContact CG2-CB 4.21Å; V97-H107 PolarHBondContact N-O 3.41Å; V97-H107 PolarHBondContact O-N 3.39Å; V97-Y121 WeakPolarHBondContact CG1-OH 3.45Å; V97-V128 HydrophobicContact CG2-CG2 4.2Å; V97-L142 HydrophobicContact CG2-CD1 4.41Å; V97-L142 HydrophobicContact CG2-CD2 4.12Å
98W97.8Very high96.3Very high0 Ų039 Ų390%020%0.203CC..EExtended strand (participates in β ladder)trans-115.4143.2-177.5-45.683.3000110.2L67 H85 I86 S88 I96 A100 N104 K105 L355L67-W98 HydrophobicContact CB-CD2 4.25Å; L67-W98 HydrophobicContact CB-CE3 4.03Å; L67-W98 HydrophobicContact CB-CH2 4.31Å; L67-W98 HydrophobicContact CB-CZ3 4.05Å; L67-W98 HydrophobicContact CD1-CB 4.16Å; L67-W98 HydrophobicContact CD1-CD2 4.08Å; L67-W98 HydrophobicContact CD1-CE3 4.46Å; L67-W98 HydrophobicContact CD1-CG 3.94Å; L67-W98 HydrophobicContact CD2-CE3 4.43Å; H85-W98 CarbonylContact C-O 3.59Å; H85-W98 WeakPolarHBondContact CA-O 3.39Å; H85-W98 WeakPolarHBondContact CB-O 3.3Å; H85-W98 PolarHBondContact CD2-O 3Å; I86-W98 PolarHBondContact N-O 2.94Å; I86-W98 VanDerWaalsContact O-CD1 3.31Å; I86-W98 PolarHBondContact O-N 2.7Å; S88-W98 PolarHBondContact OG-NE1 3.21Å; I96-W98 HydrophobicContact CB-CZ2 3.76Å; I96-W98 HydrophobicContact CD1-CH2 4.02Å; I96-W98 HydrophobicContact CD1-CZ2 3.72Å; I96-W98 HydrophobicContact CG1-CZ2 4.33Å; I96-W98 HydrophobicContact CG2-CD2 3.67Å; I96-W98 HydrophobicContact CG2-CE3 4.16Å; I96-W98 HydrophobicContact CG2-CG 4.16Å; I96-W98 HydrophobicContact CG2-CH2 4.08Å; I96-W98 HydrophobicContact CG2-CZ2 3.56Å; I96-W98 HydrophobicContact CG2-CZ3 4.36Å; I96-W98 PolarHBondContact O-NE1 3.13Å; W98-A100 PolarHBondContact O-N 2.91Å; W98-N104 CarbonylContact C-O 3.56Å; W98-N104 WeakPolarHBondContact CA-O 3.23Å; W98-K105 HydrophobicContact CE3-CG 3.72Å; W98-K105 HydrophobicContact CH2-CD 4.45Å; W98-K105 HydrophobicContact CH2-CG 4.29Å; W98-K105 HydrophobicContact CZ3-CD 4.11Å; W98-K105 HydrophobicContact CZ3-CG 3.57Å; W98-L355 HydrophobicContact CZ2-CD1 4.12Å
99D97Very high96Very high5 Ų539.2 Ų39.23%0.02720%0.204CC..EExtended strand (participates in β ladder)trans-81.6104.8149.2172.4-3.3000107.6R84 F101 T102 T103 N104 E106R84-D99 VanDerWaalsContact CG-OD1 3.27Å; R84-D99 WeakPolarHBondContact CG-OD1 3.48Å; R84-D99 IonicContact CZ-OD1 3.6Å; R84-D99 IonicContact CZ-OD2 3.29Å; R84-D99 VanDerWaalsContact CZ-OD2 3.29Å; R84-D99 IonicContact NE-OD1 2.75Å; R84-D99 PolarHBondContact NE-OD1 3Å; R84-D99 IonicContact NE-OD2 3.16Å; R84-D99 PolarHBondContact NE-OD2 3.21Å; R84-D99 VanDerWaalsContact NE-OD2 3.16Å; R84-D99 IonicContact NH2-OD1 3.64Å; R84-D99 IonicContact NH2-OD2 2.66Å; R84-D99 PolarHBondContact NH2-OD2 3.29Å; D99-F101 PolarHBondContact O-N 3.42Å; D99-F101 WeakPolarHBondContact OD1-CB 3.32Å; D99-F101 PolarHBondContact OD1-N 3.13Å; D99-T102 WeakPolarHBondContact CB-OG1 3.46Å; D99-T102 PolarHBondContact OD1-N 3.19Å; D99-T102 WeakPolarHBondContact OD2-CB 3.43Å; D99-T102 WeakPolarHBondContact OD2-CG2 3.37Å; D99-T102 PolarHBondContact OD2-OG1 3.18Å; D99-T103 CarbonylContact O-C 3.55Å; D99-T103 WeakPolarHBondContact O-CA 3.48Å; D99-T103 PolarHBondContact O-N 3.31Å; D99-N104 HydrophobicContact CB-CB 4.45Å; D99-N104 PolarHBondContact N-O 2.53Å; D99-N104 PolarHBondContact O-N 2.92Å; D99-E106 HydrophobicContact CB-CG 4.32Å
100A96Very high95.8Very high3 Ų343.9 Ų43.93%0.02523%0.233CC..THydrogen-bonded Turntrans-71.9-20.8-17200000112.8W79 R84 I86 W98 I357W79-A100 HydrophobicContact CH2-CB 4.32Å; W79-A100 HydrophobicContact CZ3-CB 4.13Å; R84-A100 WeakPolarHBondContact O-CB 3.17Å; R84-A100 PolarHBondContact O-N 3.25Å; I86-A100 HydrophobicContact CD1-CB 3.46Å; I86-A100 VanDerWaalsContact CD1-CB 3.46Å; I86-A100 HydrophobicContact CG1-CB 3.79Å; W98-A100 PolarHBondContact O-N 2.91Å; A100-I357 HydrophobicContact CB-CD1 3.42Å; A100-I357 VanDerWaalsContact CB-CD1 3.42Å; A100-I357 WeakPolarHBondContact O-CD1 3.42Å
101F95.4Very high95.6Very high133 Ų13344.3 Ų44.358%0.58324%0.235SC*.THydrogen-bonded Turntrans-75.7-46.8178.7-175.8-96.3000111.6R65 R84 D99R65-F101 PolarHBondContact NE-O 3.37Å; R84-F101 HydrophobicContact CG-CB 4.06Å; D99-F101 PolarHBondContact O-N 3.42Å; D99-F101 WeakPolarHBondContact OD1-CB 3.32Å; D99-F101 PolarHBondContact OD1-N 3.13Å
102T96.5Very high95.3Very high50 Ų5047 Ų4731%0.30726%0.258SS..THydrogen-bonded Turntrans-89.7-14179.265.60000113.3D99 N104D99-T102 WeakPolarHBondContact CB-OG1 3.46Å; D99-T102 PolarHBondContact OD1-N 3.19Å; D99-T102 WeakPolarHBondContact OD2-CB 3.43Å; D99-T102 WeakPolarHBondContact OD2-CG2 3.37Å; D99-T102 PolarHBondContact OD2-OG1 3.18Å; T102-N104 PolarHBondContact O-N 2.74Å; T102-N104 WeakPolarHBondContact OG1-CB 3.36Å; T102-N104 PolarHBondContact OG1-N 2.91Å; T102-N104 PolarHBondContact OG1-ND2 3.14Å
103T96.6Very high95.2Very high56 Ų5646.3 Ų46.334%0.34426%0.255SS..THydrogen-bonded Turntrans67.912.3-172.873.80000114.9R65 L67 D99R65-T103 HydrophobicContact CB-CG2 4.2Å; R65-T103 HydrophobicContact CG-CG2 4.33Å; L67-T103 HydrophobicContact CD2-CG2 3.75Å; D99-T103 CarbonylContact O-C 3.55Å; D99-T103 WeakPolarHBondContact O-CA 3.48Å; D99-T103 PolarHBondContact O-N 3.31Å
104N96.8Very high95.2Very high98 Ų9849.7 Ų49.752%0.52428%0.275SS..EExtended strand (participates in β ladder)trans-72.3145.7177.5-69.7-18.9000111.3W98 D99 T102W98-N104 CarbonylContact C-O 3.56Å; W98-N104 WeakPolarHBondContact CA-O 3.23Å; D99-N104 HydrophobicContact CB-CB 4.45Å; D99-N104 PolarHBondContact N-O 2.53Å; D99-N104 PolarHBondContact O-N 2.92Å; T102-N104 PolarHBondContact O-N 2.74Å; T102-N104 WeakPolarHBondContact OG1-CB 3.36Å; T102-N104 PolarHBondContact OG1-N 2.91Å; T102-N104 PolarHBondContact OG1-ND2 3.14Å
105K95.6Very high95.2Very high111 Ų11150 Ų5048%0.48328%0.275SS..EExtended strand (participates in β ladder)trans-92.2116.6170.8-58.7176.5-176.373.40107.4K68 I96 W98K68-K105 WeakPolarHBondContact O-CE 3.22Å; K68-K105 PolarHBondContact O-NZ 3.47Å; I96-K105 HydrophobicContact CG2-CB 4.2Å; I96-K105 HydrophobicContact CG2-CD 4.35Å; I96-K105 HydrophobicContact CG2-CG 4.01Å; W98-K105 HydrophobicContact CE3-CG 3.72Å; W98-K105 HydrophobicContact CH2-CD 4.45Å; W98-K105 HydrophobicContact CH2-CG 4.29Å; W98-K105 HydrophobicContact CZ3-CD 4.11Å; W98-K105 HydrophobicContact CZ3-CG 3.57Å
106E93.1Very high95.2Very high86 Ų8650 Ų5040%0.40228%0.275SS..EExtended strand (participates in β ladder)trans-92-42.2-179-58.2-164.1144.500111.4H85 V97 D99H85-E106 IonicContact CD2-OE1 3.47Å; H85-E106 IonicContact CD2-OE2 3.22Å; H85-E106 PolarHBondContact CD2-OE2 3.25Å; H85-E106 IonicContact NE2-OE1 3.79Å; H85-E106 PolarHBondContact NE2-OE1 2.87Å; H85-E106 IonicContact NE2-OE2 3.14Å; H85-E106 PolarHBondContact NE2-OE2 2.97Å; V97-E106 HydrophobicContact CG1-CB 4.29Å; V97-E106 PolarHBondContact O-N 2.78Å; D99-E106 HydrophobicContact CB-CG 4.32Å
107H93Very high95.2Very high23 Ų2351.8 Ų51.811%0.10628%0.283CS..EExtended strand (participates in β ladder)trans-134146.3176-54-70.4000111.3I96 V97 S143 I148I96-H107 WeakPolarHBondContact CA-O 3.36Å; V97-H107 HydrophobicContact CB-CB 3.94Å; V97-H107 HydrophobicContact CG2-CB 4.21Å; V97-H107 PolarHBondContact N-O 3.41Å; V97-H107 PolarHBondContact O-N 3.39Å; H107-S143 PolarHBondContact CE1-O 3.45Å; H107-I148 HydrophobicContact CB-CD1 3.72Å; H107-I148 WeakPolarHBondContact ND1-CD1 3.37Å
108A93.6Very high95.2Very high73 Ų7351.8 Ų51.860%0.60328%0.283SS*.EExtended strand (participates in β ladder)trans-135.2116.1172.600000108.9V95V95-A108 WeakPolarHBondContact O-CA 3.38Å
109I93.8Very high95.2Very high4 Ų451.8 Ų51.82%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-108.7125.1-177.9-57.9162.3000107.3K94 V95 Y140 I148K94-I109 CarbonylContact C-O 3.51Å; K94-I109 WeakPolarHBondContact CA-O 3.16Å; V95-I109 HydrophobicContact CB-CB 4.29Å; V95-I109 PolarHBondContact N-O 3.33Å; V95-I109 PolarHBondContact O-N 3.04Å; I109-Y140 HydrophobicContact CD1-CD1 4.22Å; I109-Y140 HydrophobicContact CD1-CD2 4.28Å; I109-Y140 HydrophobicContact CD1-CG 3.85Å; I109-Y140 HydrophobicContact CG2-CD1 3.85Å; I109-Y140 HydrophobicContact CG2-CD2 4.31Å; I109-Y140 HydrophobicContact CG2-CE1 3.47Å; I109-Y140 VanDerWaalsContact CG2-CE1 3.47Å; I109-Y140 HydrophobicContact CG2-CE2 4.02Å; I109-Y140 HydrophobicContact CG2-CG 4.22Å; I109-I148 HydrophobicContact CD1-CG2 3.99Å; I109-I148 HydrophobicContact CG1-CG2 3.99Å
110T93.9Very high95.3Very high97 Ų9751.6 Ų51.660%0.59528%0.282SS*.EExtended strand (participates in β ladder)trans-101.7117.1174.4-54.90000108.8
111M92.6Very high95.3Very high9 Ų952.2 Ų52.24%0.04428%0.284CS..  trans-86153.6173-64.9-165.871.200110.7G93 T113 I116 C130 D134G93-M111 PolarHBondContact O-N 2.82Å; M111-T113 HydrophobicContact CB-CG2 4.34Å; M111-T113 HydrophobicContact CE-CG2 4.45Å; M111-T113 PolarHBondContact O-N 2.95Å; M111-I116 HydrophobicContact CB-CD1 3.82Å; M111-I116 HydrophobicContact CB-CG1 4.42Å; M111-I116 HydrophobicContact CG-CD1 3.64Å; M111-I116 HydrophobicContact CG-CG1 4.44Å; M111-I116 HydrophobicContact SD-CD1 3.56Å; M111-I116 VanDerWaalsContact SD-CD1 3.56Å; M111-I116 HydrophobicContact SD-CG1 3.87Å; M111-I116 HydrophobicContact SD-CG2 4.15Å; M111-C130 HydrophobicContact SD-CB 4.22Å; M111-C130 PolarHBondContact SD-SG 3.47Å; M111-D134 WeakPolarHBondContact CE-OD2 3.47Å
112P90.6Very high95.3Very high116 Ų11645.9 Ų45.975%0.75326%0.257SS*.SBendtrans-72.5-8177.530.8-36.4000113.7
113T93.4Very high95.2Very high27 Ų2745.4 Ų45.417%0.16625%0.254CS..SBendtrans-111.7155.8-179.9-173.70000111.2G93 M111 D134G93-T113 WeakPolarHBondContact CA-O 3.24Å; M111-T113 HydrophobicContact CB-CG2 4.34Å; M111-T113 HydrophobicContact CE-CG2 4.45Å; M111-T113 PolarHBondContact O-N 2.95Å; T113-D134 HydrophobicContact CG2-CB 3.73Å
114T96Very high95Very high73 Ų7345.6 Ų45.645%0.44826%0.258SS..SBendtrans-87.5175.5165.155.90000110.4H91H91-T114 WeakPolarHBondContact O-CA 3.42Å; H91-T114 VanDerWaalsContact O-CB 3.25Å; H91-T114 WeakPolarHBondContact O-CB 3.48Å
115W96.3Very high94.8Very high81 Ų8142.8 Ų42.831%0.30725%0.246SC..  trans54.359.5177.8-68.592.6000113.1L75 H91 M117 G132 L133L75-W115 HydrophobicContact CD1-CB 4.47Å; L75-W115 HydrophobicContact CD1-CE3 3.77Å; L75-W115 HydrophobicContact CD1-CZ3 4.46Å; L75-W115 HydrophobicContact CD2-CE3 4.26Å; L75-W115 HydrophobicContact CD2-CZ3 4.14Å; H91-W115 AromaticContact CD2-CD1 3.75Å; H91-W115 AromaticContact CD2-CD2 3.39Å; H91-W115 AromaticContact CD2-CE2 3.06Å; H91-W115 AromaticContact CD2-CE3 3.94Å; H91-W115 AromaticContact CD2-CG 3.84Å; H91-W115 AromaticContact CD2-CH2 3.91Å; H91-W115 AromaticContact CD2-CZ2 3.36Å; H91-W115 WeakPolarHBondContact CD2-CZ2 3.38Å; H91-W115 AromaticContact CD2-NE1 3.3Å; H91-W115 PolarHBondContact CD2-NE1 3.47Å; H91-W115 VanDerWaalsContact CD2-NE1 3.3Å; H91-W115 AromaticContact NE2-CD1 3.74Å; H91-W115 AromaticContact NE2-CE2 3.26Å; H91-W115 VanDerWaalsContact NE2-CE2 3.26Å; H91-W115 AromaticContact NE2-CZ2 3.54Å; H91-W115 AromaticContact NE2-NE1 3.06Å; H91-W115 PolarHBondContact NE2-NE1 3.21Å; H91-W115 PolarHBondContact O-N 2.98Å; W115-M117 VanDerWaalsContact C-N 3.35Å; W115-M117 PolarHBondContact O-N 2.69Å; W115-G132 WeakPolarHBondContact O-CA 3.3Å; W115-L133 HydrophobicContact CB-CB 4.37Å; W115-L133 HydrophobicContact CB-CD1 3.48Å; W115-L133 VanDerWaalsContact CB-CD1 3.48Å; W115-L133 HydrophobicContact CB-CG 3.56Å; W115-L133 HydrophobicContact CG-CD1 3.55Å; W115-L133 HydrophobicContact CG-CG 4.15Å; W115-L133 PolarHBondContact O-N 3.08Å
116I97.2Very high94.7Very high0 Ų040 Ų400%024%0.241CC..  trans-74.994.6169.7-52.2173.9000107.2L75 S89 S90 G93 V95 M111 C130 G131L75-I116 WeakPolarHBondContact CD1-O 3.32Å; S89-I116 VanDerWaalsContact CB-CG2 3.49Å; S89-I116 VanDerWaalsContact CB-O 3.32Å; S89-I116 WeakPolarHBondContact CB-O 3.48Å; S89-I116 PolarHBondContact OG-O 2.71Å; S90-I116 PolarHBondContact O-N 3.1Å; G93-I116 WeakPolarHBondContact O-CD1 3.4Å; V95-I116 HydrophobicContact CG2-CD1 3.58Å; V95-I116 HydrophobicContact CG2-CG2 4.03Å; M111-I116 HydrophobicContact CB-CD1 3.82Å; M111-I116 HydrophobicContact CB-CG1 4.42Å; M111-I116 HydrophobicContact CG-CD1 3.64Å; M111-I116 HydrophobicContact CG-CG1 4.44Å; M111-I116 HydrophobicContact SD-CD1 3.56Å; M111-I116 VanDerWaalsContact SD-CD1 3.56Å; M111-I116 HydrophobicContact SD-CG1 3.87Å; M111-I116 HydrophobicContact SD-CG2 4.15Å; I116-C130 HydrophobicContact CG2-CB 3.92Å; I116-G131 CarbonylContact C-O 3.58Å
117M97.1Very high94.7Very high42 Ų4236.7 Ų36.721%0.20723%0.225CC..  trans-82.9-20.9-172-72.6179.3-73.100113L75 C76 W115 G131 L133 Y161 M162L75-M117 HydrophobicContact CD1-CG 4.08Å; C76-M117 WeakPolarHBondContact CB-O 3.06Å; W115-M117 VanDerWaalsContact C-N 3.35Å; W115-M117 PolarHBondContact O-N 2.69Å; M117-G131 PolarHBondContact N-O 2.79Å; M117-L133 HydrophobicContact CE-CD2 3.98Å; M117-L133 HydrophobicContact CE-CG 4.22Å; M117-Y161 HydrophobicContact CE-CD2 3.3Å; M117-Y161 HydrophobicContact CE-CE2 4.19Å; M117-Y161 HydrophobicContact CE-CG 3.72Å; M117-Y161 HydrophobicContact SD-CD2 4.07Å; M117-Y161 HydrophobicContact SD-CE2 4.41Å; M117-M162 WeakPolarHBondContact CE-O 3.4Å
118A97.6Very high94.9Very high0 Ų035.6 Ų35.60%022%0.22CC..EExtended strand (participates in β ladder)trans-129.7138.3-177.200000111.1C130 G131 M162 C165A118-C130 WeakPolarHBondContact O-CA 3.14Å; A118-C130 WeakPolarHBondContact O-CB 3.14Å; A118-G131 PolarHBondContact N-O 3.28Å; A118-G131 PolarHBondContact O-N 3.46Å; A118-G131 VanDerWaalsContact O-N 3.09Å; A118-M162 HydrophobicContact CB-CE 3.8Å; A118-C165 HydrophobicContact CB-CB 4.37Å
119C97.7Very high95.1Very high1 Ų132.1 Ų32.11%0.00719%0.191CC..EExtended strand (participates in β ladder)trans-145.3146.6163.7590000110.4V87 S89 A129 C130V87-C119 HydrophobicContact CG1-CB 4.39Å; V87-C119 HydrophobicContact CG2-CB 4.24Å; S89-C119 PolarHBondContact OG-SG 3.2Å; C119-A129 CarbonylContact C-O 3.53Å; C119-A129 WeakPolarHBondContact CA-O 3.37Å; C119-C130 HydrophobicContact CB-CB 4.18Å
120A97.8Very high95.3Very high0 Ų031.9 Ų31.90%019%0.19CC..EExtended strand (participates in β ladder)trans-143.5145177.500000111.8D78 V128 A129 C165 F167D78-A120 VanDerWaalsContact OD2-CA 3.25Å; D78-A120 WeakPolarHBondContact OD2-CA 3.4Å; A120-V128 WeakPolarHBondContact O-CA 3.32Å; A120-A129 PolarHBondContact N-O 2.94Å; A120-A129 PolarHBondContact O-N 3.23Å; A120-C165 WeakPolarHBondContact CB-O 3.48Å; A120-F167 HydrophobicContact CB-CD2 4.2Å
121Y96.8Very high95.4Very high16 Ų1627.3 Ų27.36%0.06316%0.162CC..EExtended strand (participates in β ladder)trans-84.6139.9167.8-103.5-65.2000110.5D78 C80 H85 V87 V97 V128 L142 F167D78-Y121 PolarHBondContact OD2-N 3.01Å; C80-Y121 HydrophobicContact CB-CD1 4.36Å; C80-Y121 HydrophobicContact CB-CD2 3.82Å; C80-Y121 HydrophobicContact CB-CE1 4.33Å; C80-Y121 HydrophobicContact CB-CE2 3.76Å; C80-Y121 HydrophobicContact CB-CG 4.13Å; H85-Y121 HydrophobicContact CB-CE2 4.46Å; V87-Y121 HydrophobicContact CB-CD2 3.81Å; V87-Y121 HydrophobicContact CB-CE2 3.59Å; V87-Y121 HydrophobicContact CG1-CD2 3.48Å; V87-Y121 VanDerWaalsContact CG1-CD2 3.48Å; V87-Y121 HydrophobicContact CG1-CE2 3.84Å; V87-Y121 HydrophobicContact CG1-CG 4.16Å; V87-Y121 VanDerWaalsContact N-CE2 3.27Å; V97-Y121 WeakPolarHBondContact CG1-OH 3.45Å; Y121-V128 HydrophobicContact CD1-CG2 3.9Å; Y121-V128 HydrophobicContact CE1-CG2 3.74Å; Y121-L142 HydrophobicContact CE1-CD1 3.55Å; Y121-F167 WeakPolarHBondContact O-CD2 3.29Å
122A96Very high95.6Very high1 Ų126.9 Ų26.91%0.00816%0.16CC..  trans-74.5150.3168.700000111.5S124 S125 L127 F167 D171A122-S124 PolarHBondContact O-N 3.18Å; A122-S124 VanDerWaalsContact O-N 3.15Å; A122-S125 PolarHBondContact O-N 3.44Å; A122-L127 HydrophobicContact CB-CB 3.69Å; A122-L127 HydrophobicContact CB-CG 4.36Å; A122-L127 WeakPolarHBondContact CB-O 3.49Å; A122-L127 PolarHBondContact N-O 3.34Å; A122-F167 VanDerWaalsContact CA-CD2 3.47Å; A122-F167 HydrophobicContact CB-CD1 4.08Å; A122-F167 HydrophobicContact CB-CD2 3.88Å; A122-F167 HydrophobicContact CB-CE1 4Å; A122-F167 HydrophobicContact CB-CE2 3.79Å; A122-F167 HydrophobicContact CB-CG 4.01Å; A122-F167 HydrophobicContact CB-CZ 3.85Å; A122-D171 HydrophobicContact CB-CB 4.45Å
123P93.2Very high95.8Very high39 Ų3925.1 Ų25.125%0.25314%0.144SC..THydrogen-bonded Turntrans-56.7-31.1-179.2-28.135.4000114.5N81 S125 F167 L168 D171N81-P123 WeakPolarHBondContact ND2-CA 3.3Å; N81-P123 PolarHBondContact ND2-O 2.72Å; N81-P123 VanDerWaalsContact ND2-O 3.1Å; P123-S125 PolarHBondContact O-N 2.94Å; P123-F167 HydrophobicContact CG-CB 4.31Å; P123-L168 WeakPolarHBondContact CG-O 3.2Å; P123-D171 WeakPolarHBondContact CD-OD1 3.47Å
124S93.1Very high95.9Very high61 Ų6125.6 Ų25.643%0.42715%0.145SC..THydrogen-bonded Turntrans-74.5-7.9175.979.30000115A122 S126 D171A122-S124 PolarHBondContact O-N 3.18Å; A122-S124 VanDerWaalsContact O-N 3.15Å; S124-S126 PolarHBondContact O-N 3.3Å; S124-S126 WeakPolarHBondContact OG-CB 3.23Å; S124-S126 PolarHBondContact OG-N 2.58Å; S124-S126 VanDerWaalsContact OG-N 3.09Å; S124-S126 PolarHBondContact OG-OG 3.25Å; S124-D171 VanDerWaalsContact CB-OD1 3.31Å; S124-D171 WeakPolarHBondContact CB-OD1 3.25Å; S124-D171 VanDerWaalsContact CB-OD2 3.23Å; S124-D171 WeakPolarHBondContact CB-OD2 3.41Å; S124-D171 PolarHBondContact N-OD1 2.91Å; S124-D171 VanDerWaalsContact OG-CG 3.25Å; S124-D171 PolarHBondContact OG-OD1 2.99Å; S124-D171 PolarHBondContact OG-OD2 3.44Å
125S92.5Very high96Very high39 Ų3924.4 Ų24.427%0.27314%0.137SC..SBendtrans674.9-171-500000115.4C80 A122 P123C80-S125 WeakPolarHBondContact SG-CB 3.24Å; C80-S125 PolarHBondContact SG-OG 3.3Å; A122-S125 PolarHBondContact O-N 3.44Å; P123-S125 PolarHBondContact O-N 2.94Å
126S92.6Very high96Very high53 Ų5324.7 Ų24.737%0.37114%0.14SC..SBendtrans-97.3-13.7-175.4730000114.9S124 L142 D171S124-S126 PolarHBondContact O-N 3.3Å; S124-S126 WeakPolarHBondContact OG-CB 3.23Å; S124-S126 PolarHBondContact OG-N 2.58Å; S124-S126 VanDerWaalsContact OG-N 3.09Å; S124-S126 PolarHBondContact OG-OG 3.25Å; S126-L142 PolarHBondContact O-N 2.85Å; S126-D171 PolarHBondContact OG-OD2 3.46Å
127L94.9Very high96Very high15 Ų1524.7 Ų24.78%0.07914%0.14CC..EExtended strand (participates in β ladder)trans-126.6149.5-179.8-49.5174000110.9A122 I139 Y140 P141 F167 D171A122-L127 HydrophobicContact CB-CB 3.69Å; A122-L127 HydrophobicContact CB-CG 4.36Å; A122-L127 WeakPolarHBondContact CB-O 3.49Å; A122-L127 PolarHBondContact N-O 3.34Å; L127-I139 HydrophobicContact CB-CG2 3.97Å; L127-I139 HydrophobicContact CD1-CG2 4.14Å; L127-I139 HydrophobicContact CD2-CG2 4.41Å; L127-I139 HydrophobicContact CG-CG2 4.42Å; L127-Y140 WeakPolarHBondContact CA-O 3.34Å; L127-P141 HydrophobicContact CD2-CB 3.79Å; L127-F167 HydrophobicContact CB-CZ 4.21Å; L127-D171 HydrophobicContact CD1-CB 3.94Å
128V96.6Very high96Very high0 Ų023 Ų230%013%0.132CC..EExtended strand (participates in β ladder)trans-124.3129.5169.9163.30000108.8V87 V95 V97 A120 Y121 I139 Y140 L142V87-V128 HydrophobicContact CB-CG2 4.39Å; V87-V128 HydrophobicContact CG2-CG1 3.72Å; V87-V128 HydrophobicContact CG2-CG2 4.19Å; V95-V128 HydrophobicContact CG1-CG1 4.32Å; V97-V128 HydrophobicContact CG2-CG2 4.2Å; A120-V128 WeakPolarHBondContact O-CA 3.32Å; Y121-V128 HydrophobicContact CD1-CG2 3.9Å; Y121-V128 HydrophobicContact CE1-CG2 3.74Å; V128-I139 CarbonylContact O-C 3.55Å; V128-I139 WeakPolarHBondContact O-CA 3.41Å; V128-Y140 PolarHBondContact N-O 3.24Å; V128-Y140 PolarHBondContact O-N 2.81Å; V128-L142 HydrophobicContact CB-CD2 4.41Å; V128-L142 HydrophobicContact CG2-CD1 3.84Å; V128-L142 HydrophobicContact CG2-CD2 3.97Å; V128-L142 HydrophobicContact CG2-CG 4.08Å
129A97.5Very high95.9Very high0 Ų023 Ų230%013%0.132CC..EExtended strand (participates in β ladder)trans-99.7144.3169.200000110.1C119 A120 T138 I139 F167 I174C119-A129 CarbonylContact C-O 3.53Å; C119-A129 WeakPolarHBondContact CA-O 3.37Å; A120-A129 PolarHBondContact N-O 2.94Å; A120-A129 PolarHBondContact O-N 3.23Å; A129-T138 WeakPolarHBondContact CA-O 3.36Å; A129-I139 HydrophobicContact CB-CG1 4.1Å; A129-F167 HydrophobicContact CB-CD2 4.44Å; A129-F167 HydrophobicContact CB-CE2 3.52Å; A129-F167 HydrophobicContact CB-CZ 3.83Å; A129-I174 HydrophobicContact CB-CD1 3.27Å
130C97.2Very high95.8Very high0 Ų023.1 Ų23.10%013%0.132CC..EExtended strand (participates in β ladder)trans-154.7161.5171.855.90000112.5V95 M111 I116 A118 C119 T138 Y140V95-C130 HydrophobicContact CG2-CB 3.89Å; M111-C130 HydrophobicContact SD-CB 4.22Å; M111-C130 PolarHBondContact SD-SG 3.47Å; I116-C130 HydrophobicContact CG2-CB 3.92Å; A118-C130 WeakPolarHBondContact O-CA 3.14Å; A118-C130 WeakPolarHBondContact O-CB 3.14Å; C119-C130 HydrophobicContact CB-CB 4.18Å; C130-T138 PolarHBondContact N-O 2.86Å; C130-T138 PolarHBondContact O-N 3.35Å; C130-Y140 WeakPolarHBondContact SG-CE2 3.34Å
131G96.6Very high95.6Very high0 Ų024.5 Ų24.50%014%0.141CC..EExtended strand (participates in β ladder)trans172.5-178.5173.300000112.9I116 M117 A118 K136 M162I116-G131 CarbonylContact C-O 3.58Å; M117-G131 PolarHBondContact N-O 2.79Å; A118-G131 PolarHBondContact N-O 3.28Å; A118-G131 PolarHBondContact O-N 3.46Å; A118-G131 VanDerWaalsContact O-N 3.09Å; G131-K136 WeakPolarHBondContact CA-O 3.47Å; G131-M162 VanDerWaalsContact N-CE 3.27Å
132G96.5Very high95.3Very high0 Ų025.3 Ų25.30%015%0.146CC..SBendtrans-178.1-120.8-173.200000113.5W115 D134 N135 Y161 M162W115-G132 WeakPolarHBondContact O-CA 3.3Å; G132-D134 PolarHBondContact N-OD1 2.84Å; G132-D134 VanDerWaalsContact N-OD1 3.08Å; G132-D134 PolarHBondContact O-N 3.17Å; G132-D134 VanDerWaalsContact O-N 3.16Å; G132-N135 PolarHBondContact O-N 3.18Å; G132-N135 VanDerWaalsContact O-N 3.15Å; G132-Y161 WeakPolarHBondContact O-CA 3.49Å; G132-M162 WeakPolarHBondContact CA-O 3.27Å; G132-M162 PolarHBondContact O-N 3.31Å
133L96.1Very high94.8Very high79 Ų7926.9 Ų26.941%0.41416%0.157SC..THydrogen-bonded Turntrans-66.9-7.6-179.2-73.3-175.5000115W115 M117 N135 Y161W115-L133 HydrophobicContact CB-CB 4.37Å; W115-L133 HydrophobicContact CB-CD1 3.48Å; W115-L133 VanDerWaalsContact CB-CD1 3.48Å; W115-L133 HydrophobicContact CB-CG 3.56Å; W115-L133 HydrophobicContact CG-CD1 3.55Å; W115-L133 HydrophobicContact CG-CG 4.15Å; W115-L133 PolarHBondContact O-N 3.08Å; M117-L133 HydrophobicContact CE-CD2 3.98Å; M117-L133 HydrophobicContact CE-CG 4.22Å; L133-N135 PolarHBondContact O-N 3.38Å; L133-N135 PolarHBondContact O-OD1 2.81Å; L133-Y161 HydrophobicContact CD2-CG 4.43Å
134D95.4Very high93.8Very high37 Ų3731.7 Ų31.720%0.19818%0.18CC..THydrogen-bonded Turntrans-79.61.9171.861.6-13.8000113.4M111 T113 G132 K136M111-D134 WeakPolarHBondContact CE-OD2 3.47Å; T113-D134 HydrophobicContact CG2-CB 3.73Å; G132-D134 PolarHBondContact N-OD1 2.84Å; G132-D134 VanDerWaalsContact N-OD1 3.08Å; G132-D134 PolarHBondContact O-N 3.17Å; G132-D134 VanDerWaalsContact O-N 3.16Å; D134-K136 WeakPolarHBondContact O-CG 3.43Å; D134-K136 PolarHBondContact O-N 3.24Å; D134-K136 VanDerWaalsContact O-N 3.14Å; D134-K136 PolarHBondContact OD1-N 2.88Å
135N97.3Very high92.8Very high49 Ų4937.4 Ų37.426%0.26220%0.2SC..SBendtrans59.519.5-179.2-53.3-9000113.1G132 L133 T157 H158 S160 Y161G132-N135 PolarHBondContact O-N 3.18Å; G132-N135 VanDerWaalsContact O-N 3.15Å; L133-N135 PolarHBondContact O-N 3.38Å; L133-N135 PolarHBondContact O-OD1 2.81Å; N135-T157 CarbonylContact O-C 3.54Å; N135-T157 WeakPolarHBondContact O-CA 3.34Å; N135-H158 WeakPolarHBondContact CB-O 3.47Å; N135-H158 PolarHBondContact O-N 2.95Å; N135-S160 WeakPolarHBondContact CA-O 3.17Å; N135-S160 WeakPolarHBondContact CB-O 3.5Å; N135-S160 PolarHBondContact OD1-O 3.1Å; N135-Y161 VanDerWaalsContact OD1-CA 3.32Å; N135-Y161 WeakPolarHBondContact OD1-CA 3.48Å; N135-Y161 PolarHBondContact OD1-N 2.79Å; N135-Y161 VanDerWaalsContact OD1-N 3.13Å
136K96.9Very high91.7Very high87 Ų8740.1 Ų40.138%0.37821%0.208SC..EExtended strand (participates in β ladder)trans-127.6152.4-170.3-73.8168.2-179.4-172.30111.3G131 D134 T154 A156 T157G131-K136 WeakPolarHBondContact CA-O 3.47Å; D134-K136 WeakPolarHBondContact O-CG 3.43Å; D134-K136 PolarHBondContact O-N 3.24Å; D134-K136 VanDerWaalsContact O-N 3.14Å; D134-K136 PolarHBondContact OD1-N 2.88Å; K136-T154 HydrophobicContact CB-CG2 4.1Å; K136-T154 HydrophobicContact CD-CG2 3.95Å; K136-T154 HydrophobicContact CG-CG2 4.03Å; K136-A156 VanDerWaalsContact CA-O 3.26Å; K136-A156 WeakPolarHBondContact CA-O 3.4Å; K136-T157 HydrophobicContact CG-CG2 4.35Å
137C96.8Very high91Very high0 Ų042.5 Ų42.50%022%0.217CC..EExtended strand (participates in β ladder)trans-107.6120.8162.7-162.30000109.2V155 A156 M162 I174 T176C137-V155 PolarHBondContact O-N 3.41Å; C137-A156 HydrophobicContact CB-CB 3.51Å; C137-A156 PolarHBondContact N-O 2.89Å; C137-A156 PolarHBondContact O-N 3.16Å; C137-M162 HydrophobicContact CB-CE 3.98Å; C137-M162 HydrophobicContact CB-SD 3.46Å; C137-M162 WeakPolarHBondContact CB-SD 3.33Å; C137-I174 VanDerWaalsContact SG-CD1 3.52Å; C137-T176 HydrophobicContact CB-CG2 4.02Å
138T96.8Very high90.1Very high6 Ų642.7 Ų42.74%0.03722%0.218CC..EExtended strand (participates in β ladder)trans-112.7132.6176.9-56.80000109.9A129 C130 Y140 K152 R153 T154A129-T138 WeakPolarHBondContact CA-O 3.36Å; C130-T138 PolarHBondContact N-O 2.86Å; C130-T138 PolarHBondContact O-N 3.35Å; T138-Y140 HydrophobicContact CG2-CD2 4.11Å; T138-Y140 HydrophobicContact CG2-CE1 4.47Å; T138-Y140 HydrophobicContact CG2-CE2 3.46Å; T138-Y140 VanDerWaalsContact CG2-CE2 3.46Å; T138-K152 HydrophobicContact CG2-CB 3.89Å; T138-K152 HydrophobicContact CG2-CD 4.31Å; T138-K152 HydrophobicContact CG2-CG 4.31Å; T138-R153 CarbonylContact C-O 3.6Å; T138-R153 WeakPolarHBondContact CA-O 3.33Å; T138-T154 PolarHBondContact OG1-OG1 3.15Å
139I96.1Very high89Confident0 Ų045.6 Ų45.60%024%0.238CC..EExtended strand (participates in β ladder)trans-104.7131.6178.9-58.9-172.9000109.3L127 V128 A129 K152 R153 V155 F167 I174 V188L127-I139 HydrophobicContact CB-CG2 3.97Å; L127-I139 HydrophobicContact CD1-CG2 4.14Å; L127-I139 HydrophobicContact CD2-CG2 4.41Å; L127-I139 HydrophobicContact CG-CG2 4.42Å; V128-I139 CarbonylContact O-C 3.55Å; V128-I139 WeakPolarHBondContact O-CA 3.41Å; A129-I139 HydrophobicContact CB-CG1 4.1Å; I139-K152 CarbonylContact O-C 3.55Å; I139-K152 WeakPolarHBondContact O-CA 3.33Å; I139-R153 PolarHBondContact N-O 3.39Å; I139-R153 PolarHBondContact O-N 3.14Å; I139-V155 HydrophobicContact CB-CG2 4.43Å; I139-V155 HydrophobicContact CD1-CB 4.2Å; I139-V155 HydrophobicContact CD1-CG2 3.69Å; I139-V155 HydrophobicContact CG1-CB 4.45Å; I139-V155 HydrophobicContact CG1-CG2 3.94Å; I139-F167 HydrophobicContact CD1-CE1 3.94Å; I139-F167 HydrophobicContact CD1-CZ 3.91Å; I139-F167 HydrophobicContact CG1-CZ 4.38Å; I139-F167 HydrophobicContact CG2-CZ 4.29Å; I139-I174 HydrophobicContact CD1-CD1 4.28Å; I139-V188 HydrophobicContact CD1-CB 4.07Å; I139-V188 HydrophobicContact CD1-CG1 3.6Å; I139-V188 HydrophobicContact CD1-CG2 3.41Å; I139-V188 VanDerWaalsContact CD1-CG2 3.41Å
140Y95Very high88Confident4 Ų449.6 Ų49.62%0.01627%0.266CS..EExtended strand (participates in β ladder)trans-117.9120.7-179.2-68.8-89.8000109.2I109 L127 V128 C130 T138 I148 K152I109-Y140 HydrophobicContact CD1-CD1 4.22Å; I109-Y140 HydrophobicContact CD1-CD2 4.28Å; I109-Y140 HydrophobicContact CD1-CG 3.85Å; I109-Y140 HydrophobicContact CG2-CD1 3.85Å; I109-Y140 HydrophobicContact CG2-CD2 4.31Å; I109-Y140 HydrophobicContact CG2-CE1 3.47Å; I109-Y140 VanDerWaalsContact CG2-CE1 3.47Å; I109-Y140 HydrophobicContact CG2-CE2 4.02Å; I109-Y140 HydrophobicContact CG2-CG 4.22Å; L127-Y140 WeakPolarHBondContact CA-O 3.34Å; V128-Y140 PolarHBondContact N-O 3.24Å; V128-Y140 PolarHBondContact O-N 2.81Å; C130-Y140 WeakPolarHBondContact SG-CE2 3.34Å; T138-Y140 HydrophobicContact CG2-CD2 4.11Å; T138-Y140 HydrophobicContact CG2-CE1 4.47Å; T138-Y140 HydrophobicContact CG2-CE2 3.46Å; T138-Y140 VanDerWaalsContact CG2-CE2 3.46Å; Y140-I148 HydrophobicContact CD1-CG2 3.82Å; Y140-I148 HydrophobicContact CG-CG2 4.26Å; Y140-K152 HydrophobicContact CD1-CB 3.64Å; Y140-K152 HydrophobicContact CE1-CB 3.43Å; Y140-K152 VanDerWaalsContact CE1-CB 3.43Å; Y140-K152 HydrophobicContact CE1-CD 3.94Å; Y140-K152 HydrophobicContact CE1-CG 4.32Å; Y140-K152 HydrophobicContact CG-CB 4.42Å
141P93.4Very high87.2Confident28 Ų2854.1 Ų54.118%0.18229%0.286CS..EExtended strand (participates in β ladder)trans-73.4132.1170.329.7-31.2000110.2L127 K151L127-P141 HydrophobicContact CD2-CB 3.79Å; P141-K151 WeakPolarHBondContact CD-O 3.33Å; P141-K151 HydrophobicContact CG-CB 3.5Å; P141-K151 VanDerWaalsContact CG-CB 3.5Å; P141-K151 HydrophobicContact CG-CD 4.41Å
142L90.4Very high86.9Confident33 Ų3359 Ų5917%0.17331%0.307CS..  trans-83.5117173.9-58.9-175.2000108.8V97 Y121 S126 V128V97-L142 HydrophobicContact CG2-CD1 4.41Å; V97-L142 HydrophobicContact CG2-CD2 4.12Å; Y121-L142 HydrophobicContact CE1-CD1 3.55Å; S126-L142 PolarHBondContact O-N 2.85Å; V128-L142 HydrophobicContact CB-CD2 4.41Å; V128-L142 HydrophobicContact CG2-CD1 3.84Å; V128-L142 HydrophobicContact CG2-CD2 3.97Å; V128-L142 HydrophobicContact CG2-CG 4.08Å
143S85.1Confident86.7Confident34 Ų3463.9 Ų63.924%0.23833%0.325CS..  trans-143.2138.4174.5178.40000108.4H107 H145H107-S143 PolarHBondContact CE1-O 3.45Å; S143-H145 VanDerWaalsContact C-N 3.35Å; S143-H145 PolarHBondContact OG-N 2.87Å
144L73.7Confident86.7Confident141 Ų14163 Ų6374%0.73832%0.323SS*.SBendtrans-79.2-20.8176.4-70.5169.4000112.7
145H70.8Confident86.7Confident181 Ų18161.5 Ų61.584%0.83832%0.315SS*.SBendtrans-102.9-17.3-169-62-55.9000113.9S143S143-H145 VanDerWaalsContact C-N 3.35Å; S143-H145 PolarHBondContact OG-N 2.87Å
146E71.2Confident86.6Confident95 Ų9559.1 Ų59.144%0.44430%0.303SS..SBendtrans-121.7152.2-173.9-64.2175.7137.600110.7I148 K151E146-I148 PolarHBondContact O-N 3.32Å; E146-K151 WeakPolarHBondContact OE1-CE 3.44Å; E146-K151 IonicContact OE1-NZ 3.99Å; E146-K151 PolarHBondContact OE1-NZ 2.99Å; E146-K151 VanDerWaalsContact OE2-CE 3.23Å; E146-K151 WeakPolarHBondContact OE2-CE 3.44Å; E146-K151 IonicContact OE2-NZ 3.23Å; E146-K151 PolarHBondContact OE2-NZ 2.87Å
147D75.9Confident86.6Confident104 Ų10458.8 Ų58.856%0.55631%0.308SS*.  trans-68.3108.6174-176.3-0.2000109.9S149 S150D147-S149 PolarHBondContact O-N 3Å; D147-S149 VanDerWaalsContact O-N 3.1Å; D147-S149 WeakPolarHBondContact OD1-CB 3.28Å; D147-S149 PolarHBondContact OD1-N 3.24Å; D147-S149 PolarHBondContact OD1-OG 2.81Å; D147-S150 WeakPolarHBondContact O-CB 3.11Å; D147-S150 PolarHBondContact O-N 2.98Å; D147-S150 PolarHBondContact O-OG 2.91Å
148I77.3Confident86.6Confident19 Ų1959.4 Ų59.410%0.09731%0.311CS..G310 helixtrans-51.8-33.6178.7-61.6165.4000111.6H107 I109 Y140 E146 S150 K151H107-I148 HydrophobicContact CB-CD1 3.72Å; H107-I148 WeakPolarHBondContact ND1-CD1 3.37Å; I109-I148 HydrophobicContact CD1-CG2 3.99Å; I109-I148 HydrophobicContact CG1-CG2 3.99Å; Y140-I148 HydrophobicContact CD1-CG2 3.82Å; Y140-I148 HydrophobicContact CG-CG2 4.26Å; E146-I148 PolarHBondContact O-N 3.32Å; I148-S150 VanDerWaalsContact C-N 3.27Å; I148-S150 PolarHBondContact O-N 2.73Å; I148-K151 PolarHBondContact O-N 3.03Å
149S74Confident86.6Confident60 Ų6064.9 Ų64.942%0.4234%0.344SS..G310 helixtrans-68.9-27-177.9-52.90000112.8D147D147-S149 PolarHBondContact O-N 3Å; D147-S149 VanDerWaalsContact O-N 3.1Å; D147-S149 WeakPolarHBondContact OD1-CB 3.28Å; D147-S149 PolarHBondContact OD1-N 3.24Å; D147-S149 PolarHBondContact OD1-OG 2.81Å
150S75.1Confident86.7Confident85 Ų8566.6 Ų66.659%0.59436%0.356SS*.G310 helixtrans-75.4-25.6-17871.70000113.3D147 I148D147-S150 WeakPolarHBondContact O-CB 3.11Å; D147-S150 PolarHBondContact O-N 2.98Å; D147-S150 PolarHBondContact O-OG 2.91Å; I148-S150 VanDerWaalsContact C-N 3.27Å; I148-S150 PolarHBondContact O-N 2.73Å
151K81.3Confident86.8Confident95 Ų9568.4 Ų68.441%0.41336%0.363SS..G310 helixtrans-107.515.9-175.9-65.6-168.5175.6-175.90114P141 E146 I148P141-K151 WeakPolarHBondContact CD-O 3.33Å; P141-K151 HydrophobicContact CG-CB 3.5Å; P141-K151 VanDerWaalsContact CG-CB 3.5Å; P141-K151 HydrophobicContact CG-CD 4.41Å; E146-K151 WeakPolarHBondContact OE1-CE 3.44Å; E146-K151 IonicContact OE1-NZ 3.99Å; E146-K151 PolarHBondContact OE1-NZ 2.99Å; E146-K151 VanDerWaalsContact OE2-CE 3.23Å; E146-K151 WeakPolarHBondContact OE2-CE 3.44Å; E146-K151 IonicContact OE2-NZ 3.23Å; E146-K151 PolarHBondContact OE2-NZ 2.87Å; I148-K151 PolarHBondContact O-N 3.03Å
152K90Very high87Confident103 Ų10367 Ų6745%0.44836%0.355SS..  trans-64.7142.2177.575.4-178.2-178.4178.80111.2T138 I139 Y140T138-K152 HydrophobicContact CG2-CB 3.89Å; T138-K152 HydrophobicContact CG2-CD 4.31Å; T138-K152 HydrophobicContact CG2-CG 4.31Å; I139-K152 CarbonylContact O-C 3.55Å; I139-K152 WeakPolarHBondContact O-CA 3.33Å; Y140-K152 HydrophobicContact CD1-CB 3.64Å; Y140-K152 HydrophobicContact CE1-CB 3.43Å; Y140-K152 VanDerWaalsContact CE1-CB 3.43Å; Y140-K152 HydrophobicContact CE1-CD 3.94Å; Y140-K152 HydrophobicContact CE1-CG 4.32Å; Y140-K152 HydrophobicContact CG-CB 4.42Å
153R92.5Very high87.3Confident102 Ų10266.1 Ų66.139%0.38535%0.351SS..EExtended strand (participates in β ladder)trans-124.9124175.5-69-177-71-158.90.3109.8T138 I139 V155T138-R153 CarbonylContact C-O 3.6Å; T138-R153 WeakPolarHBondContact CA-O 3.33Å; I139-R153 PolarHBondContact N-O 3.39Å; I139-R153 PolarHBondContact O-N 3.14Å; R153-V155 HydrophobicContact CB-CG2 4.33Å
154T94.9Very high87.9Confident61 Ų6165 Ų6537%0.37434%0.343SS..EExtended strand (participates in β ladder)trans-84.7114.3171-61.50000108.3K136 T138K136-T154 HydrophobicContact CB-CG2 4.1Å; K136-T154 HydrophobicContact CD-CG2 3.95Å; K136-T154 HydrophobicContact CG-CG2 4.03Å; T138-T154 PolarHBondContact OG1-OG1 3.15Å
155V95.4Very high89.1Confident4 Ų458.3 Ų58.32%0.02431%0.308CS..EExtended strand (participates in β ladder)trans-104.5-42.2-170.5172.20000112.3C137 I139 R153 I174 W186 V188C137-V155 PolarHBondContact O-N 3.41Å; I139-V155 HydrophobicContact CB-CG2 4.43Å; I139-V155 HydrophobicContact CD1-CB 4.2Å; I139-V155 HydrophobicContact CD1-CG2 3.69Å; I139-V155 HydrophobicContact CG1-CB 4.45Å; I139-V155 HydrophobicContact CG1-CG2 3.94Å; R153-V155 HydrophobicContact CB-CG2 4.33Å; V155-I174 HydrophobicContact CG1-CG2 3.85Å; V155-W186 HydrophobicContact CG1-CB 3.66Å; V155-W186 HydrophobicContact CG1-CG 4.5Å; V155-V188 HydrophobicContact CG1-CG2 4.35Å; V155-V188 HydrophobicContact CG2-CG1 4.46Å
156A95Very high90.3Very high0 Ų050.5 Ų50.50%027%0.271CS..EExtended strand (participates in β ladder)trans-113.6146.2179.900000111K136 C137 T176 W186K136-A156 VanDerWaalsContact CA-O 3.26Å; K136-A156 WeakPolarHBondContact CA-O 3.4Å; C137-A156 HydrophobicContact CB-CB 3.51Å; C137-A156 PolarHBondContact N-O 2.89Å; C137-A156 PolarHBondContact O-N 3.16Å; A156-T176 HydrophobicContact CB-CG2 3.94Å; A156-W186 HydrophobicContact CB-CD2 3.58Å; A156-W186 HydrophobicContact CB-CE3 4.2Å; A156-W186 HydrophobicContact CB-CG 3.8Å; A156-W186 HydrophobicContact CB-CH2 4.47Å; A156-W186 HydrophobicContact CB-CZ2 3.88Å
157T96.9Very high91.5Very high79 Ų7946.7 Ų46.749%0.48525%0.253SS..EExtended strand (participates in β ladder)trans-138.3123.1168.7-59.20000108.7N135 K136 W186N135-T157 CarbonylContact O-C 3.54Å; N135-T157 WeakPolarHBondContact O-CA 3.34Å; K136-T157 HydrophobicContact CG-CG2 4.35Å; T157-W186 WeakPolarHBondContact O-CH2 3.41Å
158H97.4Very high92.3Very high13 Ų1342.8 Ų42.86%0.0623%0.232CC..  trans-105.2170.6175-79.8-85.8000110.6N135 S160 T176 S178 D180 T182N135-H158 WeakPolarHBondContact CB-O 3.47Å; N135-H158 PolarHBondContact O-N 2.95Å; H158-S160 WeakPolarHBondContact CB-O 3.43Å; H158-T176 PolarHBondContact NE2-OG1 3.18Å; H158-S178 WeakPolarHBondContact CB-OG 3.26Å; H158-S178 VanDerWaalsContact CG-CB 3.43Å; H158-S178 VanDerWaalsContact ND1-CB 3.3Å; H158-S178 WeakPolarHBondContact ND1-CB 3.21Å; H158-D180 WeakPolarHBondContact CB-OD2 3.36Å; H158-D180 IonicContact CG-OD2 3.66Å; H158-D180 IonicContact ND1-OD1 3.65Å; H158-D180 PolarHBondContact ND1-OD1 2.78Å; H158-D180 IonicContact ND1-OD2 2.82Å; H158-D180 PolarHBondContact ND1-OD2 2.71Å; H158-T182 PolarHBondContact ND1-OG1 2.87Å
159T97.3Very high92.7Very high122 Ų12246.7 Ų46.775%0.74825%0.246SC*.SBendtrans-87.4-12.9176.459.50000113.1D180T159-D180 PolarHBondContact N-OD2 3.09Å; T159-D180 WeakPolarHBondContact OG1-CB 3.24Å; T159-D180 PolarHBondContact OG1-OD2 3.23Å
160S97.5Very high93.6Very high35 Ų3546 Ų4625%0.24524%0.241CC..SBendtrans-135.8-175.6174.4-166.80000110.1N135 H158 S178 G179N135-S160 WeakPolarHBondContact CA-O 3.17Å; N135-S160 WeakPolarHBondContact CB-O 3.5Å; N135-S160 PolarHBondContact OD1-O 3.1Å; H158-S160 WeakPolarHBondContact CB-O 3.43Å; S160-S178 PolarHBondContact O-OG 2.97Å; S160-G179 VanDerWaalsContact CB-C 3.49Å
161Y97.5Very high94.5Very high42 Ų4243.1 Ų43.117%0.16522%0.219CC..  trans-61.3149.3-174.566.4-94.5000112.4M117 G132 L133 N135 S178 G179 D203 F205M117-Y161 HydrophobicContact CE-CD2 3.3Å; M117-Y161 HydrophobicContact CE-CE2 4.19Å; M117-Y161 HydrophobicContact CE-CG 3.72Å; M117-Y161 HydrophobicContact SD-CD2 4.07Å; M117-Y161 HydrophobicContact SD-CE2 4.41Å; G132-Y161 WeakPolarHBondContact O-CA 3.49Å; L133-Y161 HydrophobicContact CD2-CG 4.43Å; N135-Y161 VanDerWaalsContact OD1-CA 3.32Å; N135-Y161 WeakPolarHBondContact OD1-CA 3.48Å; N135-Y161 PolarHBondContact OD1-N 2.79Å; N135-Y161 VanDerWaalsContact OD1-N 3.13Å; Y161-S178 CarbonylContact O-C 3.5Å; Y161-S178 WeakPolarHBondContact O-CA 3.35Å; Y161-S178 WeakPolarHBondContact O-CB 3.26Å; Y161-S178 PolarHBondContact O-OG 3.3Å; Y161-G179 PolarHBondContact O-N 2.93Å; Y161-D203 WeakPolarHBondContact CE1-OD2 3.34Å; Y161-D203 WeakPolarHBondContact OH-CB 3.24Å; Y161-D203 PolarHBondContact OH-OD2 3.09Å; Y161-F205 WeakPolarHBondContact OH-CE1 3.29Å
162M97.6Very high95.1Very high0 Ų042.9 Ų42.90%022%0.222CC..EExtended strand (participates in β ladder)trans-89.4122.1173.9-172.3176.577.700110M117 A118 G131 G132 C137 C165 T176 A177M117-M162 WeakPolarHBondContact CE-O 3.4Å; A118-M162 HydrophobicContact CB-CE 3.8Å; G131-M162 VanDerWaalsContact N-CE 3.27Å; G132-M162 WeakPolarHBondContact CA-O 3.27Å; G132-M162 PolarHBondContact O-N 3.31Å; C137-M162 HydrophobicContact CB-CE 3.98Å; C137-M162 HydrophobicContact CB-SD 3.46Å; C137-M162 WeakPolarHBondContact CB-SD 3.33Å; M162-C165 HydrophobicContact CE-CB 4.19Å; M162-C165 HydrophobicContact SD-CB 4.27Å; M162-T176 HydrophobicContact SD-CG2 3.83Å; M162-A177 WeakPolarHBondContact CG-O 3.11Å
163S97.7Very high95.4Very high13 Ų1340.3 Ų40.39%0.09121%0.212CC..EExtended strand (participates in β ladder)trans-94.5-36.3-17656.80000112.9A177 V204S163-A177 PolarHBondContact N-O 2.94Å; S163-A177 PolarHBondContact OG-O 3.06Å; S163-A177 VanDerWaalsContact OG-O 3.09Å; S163-V204 WeakPolarHBondContact CB-O 3.32Å; S163-V204 PolarHBondContact OG-O 2.75Å
164C97.8Very high95.6Very high10 Ų1035.4 Ų35.47%0.06819%0.194CC..EExtended strand (participates in β ladder)trans-150.9150.9-176.2-163.80000111T176 A177 I207C164-T176 WeakPolarHBondContact O-CA 3.43Å; C164-A177 HydrophobicContact CB-CB 4.22Å; C164-A177 PolarHBondContact O-N 3.24Å; C164-I207 HydrophobicContact CB-CD1 4.49Å; C164-I207 HydrophobicContact CB-CG1 3.86Å; C164-I207 VanDerWaalsContact SG-CG1 3.55Å
165C97.8Very high95.7Very high1 Ų132.5 Ų32.51%0.00718%0.176CC..EExtended strand (participates in β ladder)trans-144.5147.2173.165.20000110.5A118 A120 M162 I174 L175 T176A118-C165 HydrophobicContact CB-CB 4.37Å; A120-C165 WeakPolarHBondContact CB-O 3.48Å; M162-C165 HydrophobicContact CE-CB 4.19Å; M162-C165 HydrophobicContact SD-CB 4.27Å; C165-I174 HydrophobicContact CB-CD1 4.27Å; C165-I174 HydrophobicContact CB-CG1 4.5Å; C165-L175 CarbonylContact C-O 3.46Å; C165-L175 VanDerWaalsContact CA-O 3.24Å; C165-L175 WeakPolarHBondContact CA-O 3.49Å; C165-T176 HydrophobicContact CB-CG2 4.27Å
166R97.1Very high95.9Very high18 Ų1832.3 Ų32.37%0.06818%0.175CC..EExtended strand (participates in β ladder)trans-144.3133.6173.8-69.9-66.1176.6-153-4.7109.8D78 L175 I207 I209 R252D78-R166 IonicContact OD1-CZ 3.6Å; D78-R166 IonicContact OD1-NH1 3.91Å; D78-R166 PolarHBondContact OD1-NH1 2.83Å; D78-R166 IonicContact OD2-NH1 3.41Å; D78-R166 PolarHBondContact OD2-NH1 3.08Å; R166-L175 PolarHBondContact N-O 3.1Å; R166-L175 PolarHBondContact O-N 3.33Å; R166-I207 HydrophobicContact CB-CD1 4.32Å; R166-I207 HydrophobicContact CG-CD1 4.23Å; R166-I207 HydrophobicContact CG-CG1 4.3Å; R166-I209 HydrophobicContact CB-CD1 3.84Å; R166-R252 VanDerWaalsContact NH2-NH2 3.19Å
167F95.7Very high96.1Very high15 Ų1532.3 Ų32.37%0.06618%0.175CC..EExtended strand (participates in β ladder)trans-65.7147.8161.6-73.2-88.5000109.3A120 Y121 A122 P123 L127 A129 I139 L173 I174 V188A120-F167 HydrophobicContact CB-CD2 4.2Å; Y121-F167 WeakPolarHBondContact O-CD2 3.29Å; A122-F167 VanDerWaalsContact CA-CD2 3.47Å; A122-F167 HydrophobicContact CB-CD1 4.08Å; A122-F167 HydrophobicContact CB-CD2 3.88Å; A122-F167 HydrophobicContact CB-CE1 4Å; A122-F167 HydrophobicContact CB-CE2 3.79Å; A122-F167 HydrophobicContact CB-CG 4.01Å; A122-F167 HydrophobicContact CB-CZ 3.85Å; P123-F167 HydrophobicContact CG-CB 4.31Å; L127-F167 HydrophobicContact CB-CZ 4.21Å; A129-F167 HydrophobicContact CB-CD2 4.44Å; A129-F167 HydrophobicContact CB-CE2 3.52Å; A129-F167 HydrophobicContact CB-CZ 3.83Å; I139-F167 HydrophobicContact CD1-CE1 3.94Å; I139-F167 HydrophobicContact CD1-CZ 3.91Å; I139-F167 HydrophobicContact CG1-CZ 4.38Å; I139-F167 HydrophobicContact CG2-CZ 4.29Å; F167-L173 WeakPolarHBondContact CA-O 3.07Å; F167-I174 HydrophobicContact CD1-CB 4.48Å; F167-I174 HydrophobicContact CE1-CD1 4.49Å; F167-I174 HydrophobicContact CE2-CD1 4.36Å; F167-I174 HydrophobicContact CZ-CD1 4.3Å; F167-V188 HydrophobicContact CE1-CG2 4.24Å
168L93Very high96.1Very high22 Ų2228.6 Ų28.612%0.11515%0.152CC..  trans-76.5-145.3171.2-56.8-172.2000109.4P123 S170 L173 L175 I185 I209P123-L168 WeakPolarHBondContact CG-O 3.2Å; L168-S170 PolarHBondContact O-N 2.86Å; L168-L173 HydrophobicContact CB-CB 4.06Å; L168-L173 HydrophobicContact CD1-CB 3.54Å; L168-L173 HydrophobicContact CD1-CD1 3.76Å; L168-L173 HydrophobicContact CD1-CG 4.29Å; L168-L173 HydrophobicContact CG-CB 3.8Å; L168-L173 PolarHBondContact N-O 3.13Å; L168-L175 HydrophobicContact CD2-CB 3.93Å; L168-I185 HydrophobicContact CD1-CD1 4.22Å; L168-I185 HydrophobicContact CD1-CG2 4.19Å; L168-I209 HydrophobicContact CD2-CD1 3.37Å; L168-I209 HydrophobicContact CD2-CG1 4.34Å
169R85.9Confident96.2Very high101 Ų10128.3 Ų28.338%0.38115%0.153SC..SBendtrans-70.7-9.6178.7-57.9-66.5178.5-176.9-13.9114.6P210 K211 A212 D213R169-P210 PolarHBondContact NH2-O 3.05Å; R169-K211 VanDerWaalsContact NH1-C 3.33Å; R169-K211 PolarHBondContact NH1-O 3.42Å; R169-A212 PolarHBondContact NH2-O 3.28Å; R169-D213 WeakPolarHBondContact CD-OD1 3.42Å; R169-D213 IonicContact CZ-OD1 3.57Å; R169-D213 VanDerWaalsContact CZ-OD1 3.27Å; R169-D213 IonicContact NE-OD1 2.72Å; R169-D213 PolarHBondContact NE-OD1 2.98Å; R169-D213 IonicContact NH1-OD1 3.98Å; R169-D213 PolarHBondContact NH1-OD1 3.09Å
170S91.5Very high96.2Very high45 Ų4523.9 Ų23.932%0.31513%0.125SC..SBendtrans-145161.6-176.6710000109.9L168 N172L168-S170 PolarHBondContact O-N 2.86Å; S170-N172 PolarHBondContact O-N 3.17Å; S170-N172 VanDerWaalsContact O-N 3.17Å; S170-N172 PolarHBondContact OG-N 2.94Å
171D93.9Very high96.2Very high25 Ų2523.9 Ų23.913%0.13413%0.125CC..THydrogen-bonded Turntrans-63.9-14.8175.6-71.337.6000114.2A122 P123 S124 S126 L127 V188A122-D171 HydrophobicContact CB-CB 4.45Å; P123-D171 WeakPolarHBondContact CD-OD1 3.47Å; S124-D171 VanDerWaalsContact CB-OD1 3.31Å; S124-D171 WeakPolarHBondContact CB-OD1 3.25Å; S124-D171 VanDerWaalsContact CB-OD2 3.23Å; S124-D171 WeakPolarHBondContact CB-OD2 3.41Å; S124-D171 PolarHBondContact N-OD1 2.91Å; S124-D171 VanDerWaalsContact OG-CG 3.25Å; S124-D171 PolarHBondContact OG-OD1 2.99Å; S124-D171 PolarHBondContact OG-OD2 3.44Å; S126-D171 PolarHBondContact OG-OD2 3.46Å; L127-D171 HydrophobicContact CD1-CB 3.94Å; D171-V188 WeakPolarHBondContact O-CG2 2.95Å
172N94.9Very high96.2Very high90 Ų9023 Ų2348%0.48112%0.124SC..THydrogen-bonded Turntrans-81.1-19.7-173-62.7-9.8000113.2S170 V188S170-N172 PolarHBondContact O-N 3.17Å; S170-N172 VanDerWaalsContact O-N 3.17Å; S170-N172 PolarHBondContact OG-N 2.94Å; N172-V188 WeakPolarHBondContact O-CB 3.14Å; N172-V188 WeakPolarHBondContact O-CG2 3.28Å; N172-V188 PolarHBondContact O-N 3.38Å
173L95.9Very high96.3Very high48 Ų4823.1 Ų23.125%0.25112%0.124SC..EExtended strand (participates in β ladder)trans-128.3130.9-173.1-62.2179000110.8F167 L168 I185 W186 I194F167-L173 WeakPolarHBondContact CA-O 3.07Å; L168-L173 HydrophobicContact CB-CB 4.06Å; L168-L173 HydrophobicContact CD1-CB 3.54Å; L168-L173 HydrophobicContact CD1-CD1 3.76Å; L168-L173 HydrophobicContact CD1-CG 4.29Å; L168-L173 HydrophobicContact CG-CB 3.8Å; L168-L173 PolarHBondContact N-O 3.13Å; L173-I185 HydrophobicContact CB-CG2 4.5Å; L173-I185 HydrophobicContact CD2-CG2 4.34Å; L173-W186 WeakPolarHBondContact CA-O 3.19Å; L173-I194 HydrophobicContact CD2-CD1 3.14Å
174I97.1Very high96.3Very high0 Ų022.5 Ų22.50%012%0.12CC..EExtended strand (participates in β ladder)trans-124131.9176.4-169.4161.4000110.7A129 C137 I139 V155 C165 F167 T176 I185 W186 V188A129-I174 HydrophobicContact CB-CD1 3.27Å; C137-I174 VanDerWaalsContact SG-CD1 3.52Å; I139-I174 HydrophobicContact CD1-CD1 4.28Å; V155-I174 HydrophobicContact CG1-CG2 3.85Å; C165-I174 HydrophobicContact CB-CD1 4.27Å; C165-I174 HydrophobicContact CB-CG1 4.5Å; F167-I174 HydrophobicContact CD1-CB 4.48Å; F167-I174 HydrophobicContact CE1-CD1 4.49Å; F167-I174 HydrophobicContact CE2-CD1 4.36Å; F167-I174 HydrophobicContact CZ-CD1 4.3Å; I174-T176 HydrophobicContact CG1-CG2 4.48Å; I174-I185 CarbonylContact O-C 3.48Å; I174-I185 WeakPolarHBondContact O-CA 3.28Å; I174-W186 HydrophobicContact CG2-CB 3.87Å; I174-W186 HydrophobicContact CG2-CG 4.42Å; I174-W186 PolarHBondContact N-O 3.36Å; I174-W186 PolarHBondContact O-N 3.05Å; I174-V188 HydrophobicContact CB-CG2 4.29Å; I174-V188 HydrophobicContact CG2-CG2 4.08Å
175L97.9Very high96.3Very high0 Ų022.2 Ų22.20%012%0.118CC..EExtended strand (participates in β ladder)trans-96.6132.7171.5178.368.6000108.8C165 R166 L168 C183 A184 I185 F197 I207 I209 F218C165-L175 CarbonylContact C-O 3.46Å; C165-L175 VanDerWaalsContact CA-O 3.24Å; C165-L175 WeakPolarHBondContact CA-O 3.49Å; R166-L175 PolarHBondContact N-O 3.1Å; R166-L175 PolarHBondContact O-N 3.33Å; L168-L175 HydrophobicContact CD2-CB 3.93Å; L175-C183 HydrophobicContact CD1-CB 4.43Å; L175-A184 CarbonylContact C-O 3.56Å; L175-A184 WeakPolarHBondContact CA-O 3.33Å; L175-I185 HydrophobicContact CB-CG1 4.33Å; L175-I185 HydrophobicContact CD1-CD1 4.37Å; L175-I185 HydrophobicContact CD1-CG1 3.62Å; L175-F197 HydrophobicContact CD1-CE2 4.39Å; L175-I207 HydrophobicContact CB-CD1 4.17Å; L175-I207 HydrophobicContact CD2-CB 4.26Å; L175-I207 HydrophobicContact CD2-CD1 3.73Å; L175-I207 HydrophobicContact CD2-CG2 4.49Å; L175-I207 HydrophobicContact CG-CD1 3.59Å; L175-I207 WeakPolarHBondContact O-CD1 3.19Å; L175-I209 HydrophobicContact CD2-CD1 4.14Å; L175-I209 HydrophobicContact CD2-CG1 4.1Å; L175-F218 HydrophobicContact CD1-CD1 4.4Å; L175-F218 HydrophobicContact CD1-CD2 4.47Å; L175-F218 HydrophobicContact CD1-CE1 4.05Å; L175-F218 HydrophobicContact CD1-CE2 4.14Å; L175-F218 HydrophobicContact CD1-CZ 3.92Å; L175-F218 HydrophobicContact CD2-CB 3.95Å; L175-F218 HydrophobicContact CD2-CD1 4.09Å; L175-F218 HydrophobicContact CD2-CD2 3.55Å; L175-F218 HydrophobicContact CD2-CE1 4.48Å; L175-F218 HydrophobicContact CD2-CE2 4Å; L175-F218 HydrophobicContact CD2-CG 3.6Å; L175-F218 HydrophobicContact CD2-CZ 4.45Å
176T98.4Very high96.3Very high0 Ų023.2 Ų23.20%012%0.122CC..EExtended strand (participates in β ladder)trans-125151.5178.157.10000110.8C137 A156 H158 M162 C164 C165 I174 C183 A184 W186C137-T176 HydrophobicContact CB-CG2 4.02Å; A156-T176 HydrophobicContact CB-CG2 3.94Å; H158-T176 PolarHBondContact NE2-OG1 3.18Å; M162-T176 HydrophobicContact SD-CG2 3.83Å; C164-T176 WeakPolarHBondContact O-CA 3.43Å; C165-T176 HydrophobicContact CB-CG2 4.27Å; I174-T176 HydrophobicContact CG1-CG2 4.48Å; T176-C183 CarbonylContact O-C 3.6Å; T176-C183 WeakPolarHBondContact O-CA 3.45Å; T176-C183 WeakPolarHBondContact O-CB 3.31Å; T176-A184 PolarHBondContact N-O 3.34Å; T176-A184 PolarHBondContact O-N 2.78Å; T176-A184 PolarHBondContact OG1-O 3.29Å; T176-W186 PolarHBondContact OG1-NE1 2.87Å
177A98.4Very high96.3Very high0 Ų024.1 Ų24.10%013%0.128CC..EExtended strand (participates in β ladder)trans-124.9146.4170.300000109.7M162 S163 C164 V204 I207M162-A177 WeakPolarHBondContact CG-O 3.11Å; S163-A177 PolarHBondContact N-O 2.94Å; S163-A177 PolarHBondContact OG-O 3.06Å; S163-A177 VanDerWaalsContact OG-O 3.09Å; C164-A177 HydrophobicContact CB-CB 4.22Å; C164-A177 PolarHBondContact O-N 3.24Å; A177-V204 HydrophobicContact CB-CB 4.11Å; A177-V204 HydrophobicContact CB-CG1 3.78Å; A177-I207 HydrophobicContact CB-CG1 4.43Å; A177-I207 HydrophobicContact CB-CG2 3.81Å
178S98.5Very high96.3Very high0 Ų023.6 Ų23.60%013%0.126CC..EExtended strand (participates in β ladder)trans-140.6158.1-173.7179.30000113.5H158 S160 Y161 D180 S181 T182 V204H158-S178 WeakPolarHBondContact CB-OG 3.26Å; H158-S178 VanDerWaalsContact CG-CB 3.43Å; H158-S178 VanDerWaalsContact ND1-CB 3.3Å; H158-S178 WeakPolarHBondContact ND1-CB 3.21Å; S160-S178 PolarHBondContact O-OG 2.97Å; Y161-S178 CarbonylContact O-C 3.5Å; Y161-S178 WeakPolarHBondContact O-CA 3.35Å; Y161-S178 WeakPolarHBondContact O-CB 3.26Å; Y161-S178 PolarHBondContact O-OG 3.3Å; S178-D180 VanDerWaalsContact CB-OD1 3.29Å; S178-D180 WeakPolarHBondContact CB-OD1 3.5Å; S178-D180 PolarHBondContact O-N 2.98Å; S178-D180 PolarHBondContact OG-N 3.22Å; S178-D180 PolarHBondContact OG-OD1 3.32Å; S178-S181 PolarHBondContact O-N 2.82Å; S178-T182 PolarHBondContact N-O 3.07Å; S178-T182 VanDerWaalsContact N-O 3.13Å; S178-V204 PolarHBondContact O-N 3.2Å; S178-V204 VanDerWaalsContact O-N 3.14Å
179G98.1Very high96.3Very high8 Ų829.9 Ų29.98%0.08216%0.155CC..THydrogen-bonded Turntrans-67.32.6166.900000114.4S160 Y161S160-G179 VanDerWaalsContact CB-C 3.49Å; Y161-G179 PolarHBondContact O-N 2.93Å
180D97.8Very high96.8Very high29 Ų2927.8 Ų27.816%0.15516%0.156CC..THydrogen-bonded Turntrans-90.115.8170.467.811.9000113.3H158 T159 S178 T182H158-D180 WeakPolarHBondContact CB-OD2 3.36Å; H158-D180 IonicContact CG-OD2 3.66Å; H158-D180 IonicContact ND1-OD1 3.65Å; H158-D180 PolarHBondContact ND1-OD1 2.78Å; H158-D180 IonicContact ND1-OD2 2.82Å; H158-D180 PolarHBondContact ND1-OD2 2.71Å; T159-D180 PolarHBondContact N-OD2 3.09Å; T159-D180 WeakPolarHBondContact OG1-CB 3.24Å; T159-D180 PolarHBondContact OG1-OD2 3.23Å; S178-D180 VanDerWaalsContact CB-OD1 3.29Å; S178-D180 WeakPolarHBondContact CB-OD1 3.5Å; S178-D180 PolarHBondContact O-N 2.98Å; S178-D180 PolarHBondContact OG-N 3.22Å; S178-D180 PolarHBondContact OG-OD1 3.32Å; D180-T182 PolarHBondContact O-N 3.06Å; D180-T182 WeakPolarHBondContact OD1-CB 3.38Å; D180-T182 PolarHBondContact OD1-N 3.14Å; D180-T182 PolarHBondContact OD1-OG1 2.64Å
181S97.9Very high96.9Very high35 Ų3528.1 Ų28.125%0.24516%0.158CC..SBendtrans68.713.3179.1-31.90000114.4S178 S202S178-S181 PolarHBondContact O-N 2.82Å; S181-S202 VanDerWaalsContact CA-O 3.31Å; S181-S202 WeakPolarHBondContact CA-O 3.18Å; S181-S202 VanDerWaalsContact CB-O 3.31Å; S181-S202 WeakPolarHBondContact CB-O 3.33Å; S181-S202 PolarHBondContact OG-O 3.07Å
182T98.2Very high97Very high24 Ų2433.1 Ų33.115%0.14718%0.181CC..EExtended strand (participates in β ladder)trans-118.2153.9-179.7750000113.3H158 S178 D180H158-T182 PolarHBondContact ND1-OG1 2.87Å; S178-T182 PolarHBondContact N-O 3.07Å; S178-T182 VanDerWaalsContact N-O 3.13Å; D180-T182 PolarHBondContact O-N 3.06Å; D180-T182 WeakPolarHBondContact OD1-CB 3.38Å; D180-T182 PolarHBondContact OD1-N 3.14Å; D180-T182 PolarHBondContact OD1-OG1 2.64Å
183C98.5Very high97.2Very high1 Ų134 Ų341%0.00718%0.183CC..EExtended strand (participates in β ladder)trans-112154.5158.5-59.60000109L175 T176 F197 F218L175-C183 HydrophobicContact CD1-CB 4.43Å; T176-C183 CarbonylContact O-C 3.6Å; T176-C183 WeakPolarHBondContact O-CA 3.45Å; T176-C183 WeakPolarHBondContact O-CB 3.31Å; C183-F197 HydrophobicContact CB-CB 4.08Å; C183-F197 HydrophobicContact CB-CD2 4.21Å; C183-F197 HydrophobicContact CB-CG 4.49Å; C183-F197 PolarHBondContact N-O 2.83Å; C183-F197 WeakPolarHBondContact O-CD2 3.42Å; C183-F197 PolarHBondContact O-N 3.49Å; C183-F218 HydrophobicContact CB-CE2 4.12Å; C183-F218 HydrophobicContact CB-CZ 4.01Å
184A98.2Very high97.2Very high1 Ų136.1 Ų36.11%0.00819%0.193CC..EExtended strand (participates in β ladder)trans-148.5147.1177.300000112.2L175 T176 W186 M193 Q195L175-A184 CarbonylContact C-O 3.56Å; L175-A184 WeakPolarHBondContact CA-O 3.33Å; T176-A184 PolarHBondContact N-O 3.34Å; T176-A184 PolarHBondContact O-N 2.78Å; T176-A184 PolarHBondContact OG1-O 3.29Å; A184-W186 HydrophobicContact CB-CZ2 3.67Å; A184-W186 VanDerWaalsContact CB-NE1 3.34Å; A184-W186 PolarHBondContact O-NE1 2.89Å; A184-M193 HydrophobicContact CB-CG 4.4Å; A184-M193 HydrophobicContact CB-SD 4.17Å; A184-Q195 CarbonylContact C-O 3.52Å; A184-Q195 VanDerWaalsContact CA-O 3.3Å; A184-Q195 WeakPolarHBondContact CA-O 3.29Å
185I97.8Very high97.1Very high4 Ų438.7 Ų38.72%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-103.9133.7170-68.5166.9000108.7L168 L173 I174 L175 I194 Q195 F197 I232L168-I185 HydrophobicContact CD1-CD1 4.22Å; L168-I185 HydrophobicContact CD1-CG2 4.19Å; L173-I185 HydrophobicContact CB-CG2 4.5Å; L173-I185 HydrophobicContact CD2-CG2 4.34Å; I174-I185 CarbonylContact O-C 3.48Å; I174-I185 WeakPolarHBondContact O-CA 3.28Å; L175-I185 HydrophobicContact CB-CG1 4.33Å; L175-I185 HydrophobicContact CD1-CD1 4.37Å; L175-I185 HydrophobicContact CD1-CG1 3.62Å; I185-I194 HydrophobicContact CG2-CB 4.31Å; I185-I194 HydrophobicContact CG2-CD1 4.26Å; I185-I194 PolarHBondContact O-N 2.97Å; I185-Q195 PolarHBondContact N-O 2.8Å; I185-Q195 PolarHBondContact O-N 2.9Å; I185-F197 HydrophobicContact CB-CE2 4.46Å; I185-F197 HydrophobicContact CD1-CE2 3.73Å; I185-F197 HydrophobicContact CD1-CZ 3.7Å; I185-F197 HydrophobicContact CG1-CE2 3.8Å; I185-F197 HydrophobicContact CG1-CZ 4.31Å; I185-I232 HydrophobicContact CD1-CB 4.37Å; I185-I232 HydrophobicContact CD1-CG1 4.25Å; I185-I232 HydrophobicContact CD1-CG2 3.56Å
186W97.9Very high97.1Very high22 Ų2240.6 Ų40.68%0.08322%0.219CC..EExtended strand (participates in β ladder)trans-125.5141.9-176.9-47.779.4000110.2V155 A156 T157 L173 I174 T176 A184 Q192 M193V155-W186 HydrophobicContact CG1-CB 3.66Å; V155-W186 HydrophobicContact CG1-CG 4.5Å; A156-W186 HydrophobicContact CB-CD2 3.58Å; A156-W186 HydrophobicContact CB-CE3 4.2Å; A156-W186 HydrophobicContact CB-CG 3.8Å; A156-W186 HydrophobicContact CB-CH2 4.47Å; A156-W186 HydrophobicContact CB-CZ2 3.88Å; T157-W186 WeakPolarHBondContact O-CH2 3.41Å; L173-W186 WeakPolarHBondContact CA-O 3.19Å; I174-W186 HydrophobicContact CG2-CB 3.87Å; I174-W186 HydrophobicContact CG2-CG 4.42Å; I174-W186 PolarHBondContact N-O 3.36Å; I174-W186 PolarHBondContact O-N 3.05Å; T176-W186 PolarHBondContact OG1-NE1 2.87Å; A184-W186 HydrophobicContact CB-CZ2 3.67Å; A184-W186 VanDerWaalsContact CB-NE1 3.34Å; A184-W186 PolarHBondContact O-NE1 2.89Å; W186-Q192 WeakPolarHBondContact CA-O 3.35Å; W186-M193 HydrophobicContact CD2-CB 4.29Å; W186-M193 HydrophobicContact CE3-CB 3.68Å; W186-M193 HydrophobicContact CE3-CG 4.37Å; W186-M193 HydrophobicContact CH2-CB 4.07Å; W186-M193 HydrophobicContact CH2-CG 4.3Å; W186-M193 HydrophobicContact CH2-SD 4.07Å; W186-M193 HydrophobicContact CZ2-CG 4.49Å; W186-M193 HydrophobicContact CZ2-SD 4.3Å; W186-M193 HydrophobicContact CZ3-CB 3.57Å; W186-M193 HydrophobicContact CZ3-CG 4.25Å
187D96.9Very high97.1Very high36 Ų3640.6 Ų40.619%0.19322%0.219CC..EExtended strand (participates in β ladder)trans-81.2124.4168.1-175.2-105.2000110E189 S190 S191 Q192 I194D187-E189 PolarHBondContact OD1-N 2.79Å; D187-S190 WeakPolarHBondContact CB-OG 3.49Å; D187-S190 VanDerWaalsContact OD1-CB 3.28Å; D187-S190 WeakPolarHBondContact OD1-CB 3.46Å; D187-S190 PolarHBondContact OD1-N 3.43Å; D187-S190 PolarHBondContact OD1-OG 3.48Å; D187-S191 WeakPolarHBondContact O-CA 3.24Å; D187-S191 PolarHBondContact O-N 3.49Å; D187-Q192 PolarHBondContact N-O 2.86Å; D187-I194 HydrophobicContact CB-CD1 3.71Å; D187-I194 HydrophobicContact CB-CG1 4.13Å
188V95.6Very high97Very high4 Ų446.8 Ų46.82%0.02425%0.248CC..THydrogen-bonded Turntrans-72.4-30.8-173.8168.60000112.3I139 V155 F167 D171 N172 I174I139-V188 HydrophobicContact CD1-CB 4.07Å; I139-V188 HydrophobicContact CD1-CG1 3.6Å; I139-V188 HydrophobicContact CD1-CG2 3.41Å; I139-V188 VanDerWaalsContact CD1-CG2 3.41Å; V155-V188 HydrophobicContact CG1-CG2 4.35Å; V155-V188 HydrophobicContact CG2-CG1 4.46Å; F167-V188 HydrophobicContact CE1-CG2 4.24Å; D171-V188 WeakPolarHBondContact O-CG2 2.95Å; N172-V188 WeakPolarHBondContact O-CB 3.14Å; N172-V188 WeakPolarHBondContact O-CG2 3.28Å; N172-V188 PolarHBondContact O-N 3.38Å; I174-V188 HydrophobicContact CB-CG2 4.29Å; I174-V188 HydrophobicContact CG2-CG2 4.08Å
189E94Very high96.9Very high155 Ų15548.6 Ų48.672%0.72427%0.266SS*.THydrogen-bonded Turntrans-79.1-49.5-178-173.5172.6-175.600111.6D187D187-E189 PolarHBondContact OD1-N 2.79Å
190S94.8Very high96.9Very high57 Ų5748.8 Ų48.840%0.39927%0.265SS..THydrogen-bonded Turntrans-86.5-13.2-178.465.90000114.2D187 Q192D187-S190 WeakPolarHBondContact CB-OG 3.49Å; D187-S190 VanDerWaalsContact OD1-CB 3.28Å; D187-S190 WeakPolarHBondContact OD1-CB 3.46Å; D187-S190 PolarHBondContact OD1-N 3.43Å; D187-S190 PolarHBondContact OD1-OG 3.48Å; S190-Q192 PolarHBondContact O-N 2.85Å
191S94.7Very high96.8Very high52 Ų5254.8 Ų54.836%0.36429%0.294SS..  trans55.532.3-173.4-52.40000112.9D187D187-S191 WeakPolarHBondContact O-CA 3.24Å; D187-S191 PolarHBondContact O-N 3.49Å
192Q96.5Very high96.8Very high130 Ų13055.1 Ų55.161%0.60730%0.296SS*.  trans-100.7140.9177.7-65.7-173.51.800110.9W186 D187 S190 I194W186-Q192 WeakPolarHBondContact CA-O 3.35Å; D187-Q192 PolarHBondContact N-O 2.86Å; S190-Q192 PolarHBondContact O-N 2.85Å; Q192-I194 PolarHBondContact O-N 2.88Å
193M97.1Very high96.8Very high107 Ų10756.2 Ų56.253%0.52730%0.301SS..EExtended strand (participates in β ladder)trans-70.4120.2167.8-175.6169.642.200108.9A184 W186A184-M193 HydrophobicContact CB-CG 4.4Å; A184-M193 HydrophobicContact CB-SD 4.17Å; W186-M193 HydrophobicContact CD2-CB 4.29Å; W186-M193 HydrophobicContact CE3-CB 3.68Å; W186-M193 HydrophobicContact CE3-CG 4.37Å; W186-M193 HydrophobicContact CH2-CB 4.07Å; W186-M193 HydrophobicContact CH2-CG 4.3Å; W186-M193 HydrophobicContact CH2-SD 4.07Å; W186-M193 HydrophobicContact CZ2-CG 4.49Å; W186-M193 HydrophobicContact CZ2-SD 4.3Å; W186-M193 HydrophobicContact CZ3-CB 3.57Å; W186-M193 HydrophobicContact CZ3-CG 4.25Å
194I96.1Very high96.8Very high93 Ų9356.2 Ų56.248%0.47730%0.301SS..EExtended strand (participates in β ladder)trans-84.9-45.7176.6-69.2162.9000110.3L173 I185 D187 Q192L173-I194 HydrophobicContact CD2-CD1 3.14Å; I185-I194 HydrophobicContact CG2-CB 4.31Å; I185-I194 HydrophobicContact CG2-CD1 4.26Å; I185-I194 PolarHBondContact O-N 2.97Å; D187-I194 HydrophobicContact CB-CD1 3.71Å; D187-I194 HydrophobicContact CB-CG1 4.13Å; Q192-I194 PolarHBondContact O-N 2.88Å
195Q96.5Very high96.8Very high55 Ų5558.6 Ų58.626%0.25731%0.311SS..EExtended strand (participates in β ladder)trans-148.2136.2-174.1-171.261.551.800110.4A184 I185 F197A184-Q195 CarbonylContact C-O 3.52Å; A184-Q195 VanDerWaalsContact CA-O 3.3Å; A184-Q195 WeakPolarHBondContact CA-O 3.29Å; I185-Q195 PolarHBondContact N-O 2.8Å; I185-Q195 PolarHBondContact O-N 2.9Å; Q195-F197 HydrophobicContact CB-CE2 4.05Å; Q195-F197 HydrophobicContact CB-CZ 4.06Å; Q195-F197 HydrophobicContact CG-CE1 3.99Å; Q195-F197 HydrophobicContact CG-CE2 3.81Å; Q195-F197 HydrophobicContact CG-CZ 3.49Å; Q195-F197 VanDerWaalsContact CG-CZ 3.49Å
196S97.1Very high96.8Very high39 Ų3958.7 Ų58.727%0.27331%0.312SS..EExtended strand (participates in β ladder)trans-109.3142.9171.359.60000110.3H198S196-H198 PolarHBondContact OG-CE1 3.37Å
197F98.3Very high96.9Very high1 Ų157.6 Ų57.60%0.00431%0.308CS..EExtended strand (participates in β ladder)trans-119.4114.9-179.2-57.3-90.7000109.1L175 C183 I185 Q195 F218 W230L175-F197 HydrophobicContact CD1-CE2 4.39Å; C183-F197 HydrophobicContact CB-CB 4.08Å; C183-F197 HydrophobicContact CB-CD2 4.21Å; C183-F197 HydrophobicContact CB-CG 4.49Å; C183-F197 PolarHBondContact N-O 2.83Å; C183-F197 WeakPolarHBondContact O-CD2 3.42Å; C183-F197 PolarHBondContact O-N 3.49Å; I185-F197 HydrophobicContact CB-CE2 4.46Å; I185-F197 HydrophobicContact CD1-CE2 3.73Å; I185-F197 HydrophobicContact CD1-CZ 3.7Å; I185-F197 HydrophobicContact CG1-CE2 3.8Å; I185-F197 HydrophobicContact CG1-CZ 4.31Å; Q195-F197 HydrophobicContact CB-CE2 4.05Å; Q195-F197 HydrophobicContact CB-CZ 4.06Å; Q195-F197 HydrophobicContact CG-CE1 3.99Å; Q195-F197 HydrophobicContact CG-CE2 3.81Å; Q195-F197 HydrophobicContact CG-CZ 3.49Å; Q195-F197 VanDerWaalsContact CG-CZ 3.49Å; F197-F218 HydrophobicContact CB-CZ 4.27Å; F197-F218 AromaticContact CD1-CE1 3.73Å; F197-F218 HydrophobicContact CD1-CE1 3.73Å; F197-F218 AromaticContact CD1-CZ 3.9Å; F197-F218 HydrophobicContact CD1-CZ 3.9Å; F197-F218 AromaticContact CD2-CE1 3.96Å; F197-F218 HydrophobicContact CD2-CE1 3.96Å; F197-F218 AromaticContact CD2-CZ 3.83Å; F197-F218 HydrophobicContact CD2-CZ 3.83Å; F197-F218 AromaticContact CE1-CE1 3.55Å; F197-F218 HydrophobicContact CE1-CE1 3.55Å; F197-F218 HydrophobicContact CE1-CZ 4.19Å; F197-F218 AromaticContact CE2-CE1 3.83Å; F197-F218 HydrophobicContact CE2-CE1 3.83Å; F197-F218 HydrophobicContact CE2-CZ 4.16Å; F197-F218 AromaticContact CG-CE1 3.94Å; F197-F218 HydrophobicContact CG-CE1 3.94Å; F197-F218 AromaticContact CG-CZ 3.71Å; F197-F218 HydrophobicContact CG-CZ 3.71Å; F197-F218 AromaticContact CZ-CE1 3.63Å; F197-F218 HydrophobicContact CZ-CE1 3.63Å; F197-F218 HydrophobicContact CZ-CZ 4.33Å; F197-W230 HydrophobicContact CB-CD2 4.08Å; F197-W230 HydrophobicContact CB-CE3 3.81Å; F197-W230 HydrophobicContact CB-CH2 4.27Å; F197-W230 HydrophobicContact CB-CZ2 4.5Å; F197-W230 HydrophobicContact CB-CZ3 3.92Å; F197-W230 HydrophobicContact CD1-CB 3.97Å; F197-W230 HydrophobicContact CD1-CD2 4.07Å; F197-W230 AromaticContact CD1-CE3 3.79Å; F197-W230 HydrophobicContact CD1-CE3 3.79Å; F197-W230 HydrophobicContact CD1-CG 4.18Å; F197-W230 HydrophobicContact CE1-CB 4.21Å; F197-W230 HydrophobicContact CG-CD2 4.42Å; F197-W230 HydrophobicContact CG-CE3 4.26Å
198H97.6Very high96.9Very high130 Ų13057 Ų5760%0.60231%0.305SS*.EExtended strand (participates in β ladder)trans-117.2132.1-177.8-58.794.6000109.5S196 W230S196-H198 PolarHBondContact OG-CE1 3.37Å; H198-W230 WeakPolarHBondContact O-CZ3 3.3Å
199G95.5Very high96.9Very high38 Ų3858 Ų5839%0.39231%0.31SS..  trans166.3-25.2177.700000114.5
200H97.8Very high96.8Very high11 Ų1150.8 Ų50.85%0.05128%0.276CS..  trans-66.8145.2167.8-82.8-67.1000110.9V204 S220 D224 Q226H200-V204 HydrophobicContact CB-CG2 3.87Å; H200-V204 VanDerWaalsContact CD2-CG2 3.45Å; H200-V204 WeakPolarHBondContact CD2-CG2 3.32Å; H200-S220 PolarHBondContact CD2-OG 3.15Å; H200-S220 PolarHBondContact NE2-OG 2.77Å; H200-D224 WeakPolarHBondContact CA-OD2 3.42Å; H200-D224 WeakPolarHBondContact CB-OD2 3.41Å; H200-D224 IonicContact CE1-OD1 3.03Å; H200-D224 IonicContact CE1-OD2 3.27Å; H200-D224 IonicContact CG-OD2 3.42Å; H200-D224 VanDerWaalsContact ND1-CG 3.3Å; H200-D224 IonicContact ND1-OD1 2.75Å; H200-D224 PolarHBondContact ND1-OD1 2.95Å; H200-D224 VanDerWaalsContact ND1-OD1 3.1Å; H200-D224 IonicContact ND1-OD2 3.48Å; H200-D224 PolarHBondContact ND1-OD2 2.92Å; H200-Q226 PolarHBondContact CE1-O 3.19Å
201M96.7Very high96.3Very high156 Ų15653.7 Ų53.777%0.76828%0.282SS*.SBendtrans-100.1-1.3-178.3-62.3-59.3-59.300113.2D224M201-D224 HydrophobicContact CB-CB 4.08Å; M201-D224 PolarHBondContact N-OD2 3.08Å
202S97.7Very high95.4Very high41 Ų4153.1 Ų53.129%0.28728%0.28SS..SBendtrans-157.6-169.6178.6-166.60000109.5S181 V204 A223S181-S202 VanDerWaalsContact CA-O 3.31Å; S181-S202 WeakPolarHBondContact CA-O 3.18Å; S181-S202 VanDerWaalsContact CB-O 3.31Å; S181-S202 WeakPolarHBondContact CB-O 3.33Å; S181-S202 PolarHBondContact OG-O 3.07Å; S202-V204 PolarHBondContact O-N 3.05Å; S202-A223 WeakPolarHBondContact OG-CB 3.32Å
203D98.2Very high94.1Very high48 Ų4853.1 Ų53.126%0.25728%0.284SS..  trans-55.6131.4-173.2-58.923.2000111.3Y161 F205 G222 A223Y161-D203 WeakPolarHBondContact CE1-OD2 3.34Å; Y161-D203 WeakPolarHBondContact OH-CB 3.24Å; Y161-D203 PolarHBondContact OH-OD2 3.09Å; D203-F205 HydrophobicContact CB-CE1 4.02Å; D203-F205 HydrophobicContact CB-CZ 4.1Å; D203-G222 CarbonylContact O-C 3.54Å; D203-G222 WeakPolarHBondContact O-CA 3.16Å; D203-A223 HydrophobicContact CB-CB 4.3Å; D203-A223 PolarHBondContact O-N 3.36Å
204V98.6Very high92.7Very high0 Ų054.2 Ų54.20%030%0.297CS..EExtended strand (participates in β ladder)trans-90.8124.5173.5-170.60000107.7S163 A177 S178 H200 S202S163-V204 WeakPolarHBondContact CB-O 3.32Å; S163-V204 PolarHBondContact OG-O 2.75Å; A177-V204 HydrophobicContact CB-CB 4.11Å; A177-V204 HydrophobicContact CB-CG1 3.78Å; S178-V204 PolarHBondContact O-N 3.2Å; S178-V204 VanDerWaalsContact O-N 3.14Å; H200-V204 HydrophobicContact CB-CG2 3.87Å; H200-V204 VanDerWaalsContact CD2-CG2 3.45Å; H200-V204 WeakPolarHBondContact CD2-CG2 3.32Å; S202-V204 PolarHBondContact O-N 3.05Å
205F98.2Very high91.8Very high51 Ų5151.3 Ų51.322%0.22429%0.285CS..EExtended strand (participates in β ladder)trans-98.6-34.9-175.8-67.5-51.9000113.7Y161 D203 G221 A223 D247Y161-F205 WeakPolarHBondContact OH-CE1 3.29Å; D203-F205 HydrophobicContact CB-CE1 4.02Å; D203-F205 HydrophobicContact CB-CZ 4.1Å; F205-G221 PolarHBondContact N-O 2.9Å; F205-A223 HydrophobicContact CE2-CB 3.63Å; F205-A223 HydrophobicContact CZ-CB 3.95Å; F205-D247 HydrophobicContact CE2-CB 3.96Å
206S97.9Very high91.5Very high6 Ų652 Ų524%0.04229%0.291CS..EExtended strand (participates in β ladder)trans-145.8150.4-173.159.80000112.6S220 G221 N249 A250 V251S206-S220 CarbonylContact O-C 3.54Å; S206-S220 WeakPolarHBondContact O-CA 3.36Å; S206-G221 PolarHBondContact N-O 3.47Å; S206-G221 PolarHBondContact O-N 2.83Å; S206-N249 VanDerWaalsContact CB-O 3.29Å; S206-N249 WeakPolarHBondContact CB-O 3.43Å; S206-N249 PolarHBondContact OG-O 3.27Å; S206-A250 VanDerWaalsContact OG-CA 3.24Å; S206-A250 WeakPolarHBondContact OG-CA 3.12Å; S206-V251 PolarHBondContact OG-N 3.41Å; S206-V251 VanDerWaalsContact OG-N 3.1Å
207I98.2Very high91.5Very high0 Ų051.8 Ų51.80%029%0.286CS..EExtended strand (participates in β ladder)trans-133154.7173.349.2170.3000109.7C164 R166 L175 A177 F218 I219 R252C164-I207 HydrophobicContact CB-CD1 4.49Å; C164-I207 HydrophobicContact CB-CG1 3.86Å; C164-I207 VanDerWaalsContact SG-CG1 3.55Å; R166-I207 HydrophobicContact CB-CD1 4.32Å; R166-I207 HydrophobicContact CG-CD1 4.23Å; R166-I207 HydrophobicContact CG-CG1 4.3Å; L175-I207 HydrophobicContact CB-CD1 4.17Å; L175-I207 HydrophobicContact CD2-CB 4.26Å; L175-I207 HydrophobicContact CD2-CD1 3.73Å; L175-I207 HydrophobicContact CD2-CG2 4.49Å; L175-I207 HydrophobicContact CG-CD1 3.59Å; L175-I207 WeakPolarHBondContact O-CD1 3.19Å; A177-I207 HydrophobicContact CB-CG1 4.43Å; A177-I207 HydrophobicContact CB-CG2 3.81Å; I207-F218 HydrophobicContact CG2-CD2 4.27Å; I207-F218 HydrophobicContact CG2-CE2 4.21Å; I207-I219 WeakPolarHBondContact CA-O 3.4Å; I207-R252 PolarHBondContact O-NH1 3.01Å
208D97.8Very high91.4Very high23 Ų2351.8 Ų51.812%0.12329%0.286CS..EExtended strand (participates in β ladder)trans-148.4155.4167.7-164.236.2000111.6F218 I219 V251 R252 F253D208-F218 WeakPolarHBondContact O-CA 3.25Å; D208-F218 WeakPolarHBondContact O-CB 3.38Å; D208-I219 HydrophobicContact CB-CD1 4.21Å; D208-I219 HydrophobicContact CB-CG1 3.94Å; D208-I219 PolarHBondContact N-O 2.96Å; D208-I219 PolarHBondContact O-N 3.42Å; D208-V251 HydrophobicContact CB-CG2 4.34Å; D208-R252 WeakPolarHBondContact OD2-CA 3.36Å; D208-F253 HydrophobicContact CB-CD2 4.12Å; D208-F253 WeakPolarHBondContact O-CE2 3.38Å; D208-F253 PolarHBondContact OD2-N 3.22Å
209I95.2Very high91.4Very high26 Ų2645.6 Ų45.613%0.13326%0.257CS..  trans-123.6136.2-179.6-59.9158.4000106.6R166 L168 L175 F218R166-I209 HydrophobicContact CB-CD1 3.84Å; L168-I209 HydrophobicContact CD2-CD1 3.37Å; L168-I209 HydrophobicContact CD2-CG1 4.34Å; L175-I209 HydrophobicContact CD2-CD1 4.14Å; L175-I209 HydrophobicContact CD2-CG1 4.1Å; I209-F218 HydrophobicContact CG1-CB 4.02Å
210P93.1Very high91.6Very high2 Ų243.8 Ų43.81%0.01324%0.238CC..  trans-62.9154.6-178.224.9-30.8000110.4R169 A212 S215 I217 F253R169-P210 PolarHBondContact NH2-O 3.05Å; P210-A212 VanDerWaalsContact C-N 3.33Å; P210-A212 PolarHBondContact O-N 3.33Å; P210-S215 WeakPolarHBondContact CG-OG 3.14Å; P210-I217 WeakPolarHBondContact CD-O 3.4Å; P210-I217 HydrophobicContact CG-CG1 4.22Å; P210-F253 HydrophobicContact CB-CD1 3.96Å; P210-F253 HydrophobicContact CB-CD2 4.12Å; P210-F253 HydrophobicContact CB-CE1 4.1Å; P210-F253 HydrophobicContact CB-CE2 4.27Å; P210-F253 HydrophobicContact CB-CG 3.95Å; P210-F253 HydrophobicContact CB-CZ 4.24Å; P210-F253 HydrophobicContact CG-CE1 4.36Å; P210-F253 HydrophobicContact CG-CE2 4.21Å; P210-F253 HydrophobicContact CG-CZ 4.11Å; P210-F253 VanDerWaalsContact N-CD2 3.33Å
211K83.9Confident91.6Very high119 Ų11943.2 Ų43.252%0.51724%0.236SC..SBendtrans-76.4-18.8176.6-66.1-177.3-178.4178.30113.4R169R169-K211 VanDerWaalsContact NH1-C 3.33Å; R169-K211 PolarHBondContact NH1-O 3.42Å
212A75.6Confident91.7Very high39 Ų3935.8 Ų35.832%0.32220%0.199SC..SBendtrans-84.7124.2-177.800000113.3R169 P210 T214 S215R169-A212 PolarHBondContact NH2-O 3.28Å; P210-A212 VanDerWaalsContact C-N 3.33Å; P210-A212 PolarHBondContact O-N 3.33Å; A212-T214 PolarHBondContact O-N 3.21Å; A212-S215 PolarHBondContact O-OG 3.43Å
213D68.9Low91.7Very high130 Ų13034.6 Ų34.670%0.69519%0.192SC*.THydrogen-bonded Turntrans-62.4-13.1-172.9-65.2-28.2000115.7R169R169-D213 WeakPolarHBondContact CD-OD1 3.42Å; R169-D213 IonicContact CZ-OD1 3.57Å; R169-D213 VanDerWaalsContact CZ-OD1 3.27Å; R169-D213 IonicContact NE-OD1 2.72Å; R169-D213 PolarHBondContact NE-OD1 2.98Å; R169-D213 IonicContact NH1-OD1 3.98Å; R169-D213 PolarHBondContact NH1-OD1 3.09Å
214T67.7Low91.7Very high131 Ų13133.8 Ų33.880%0.80419%0.187SC*.THydrogen-bonded Turntrans-82.9-15.1-172.253.40000114.3A212A212-T214 PolarHBondContact O-N 3.21Å
215S76.6Confident91.7Very high31 Ų3138.1 Ų38.122%0.21721%0.207CC..  trans-105.7122.9-171.864.30000111.6P210 A212 I217P210-S215 WeakPolarHBondContact CG-OG 3.14Å; A212-S215 PolarHBondContact O-OG 3.43Å; S215-I217 PolarHBondContact O-N 3.03Å
216N91.6Very high91.6Very high71 Ų7137.4 Ų37.438%0.3820%0.204SC..  trans-89.643.6175.8-65.3-56.9000110.7I232 R233N216-I232 HydrophobicContact CB-CB 4.43Å; N216-I232 WeakPolarHBondContact O-CB 3.48Å; N216-I232 WeakPolarHBondContact O-CG1 3.35Å; N216-I232 PolarHBondContact O-N 3.42Å; N216-R233 HydrophobicContact CB-CG 4Å
217I95.7Very high91.7Very high34 Ų3437.1 Ų37.117%0.17420%0.202CC..EExtended strand (participates in β ladder)trans-123.3157.3-178.368.2175.7000111.3P210 S215 V229 W230 F253 L274P210-I217 WeakPolarHBondContact CD-O 3.4Å; P210-I217 HydrophobicContact CG-CG1 4.22Å; S215-I217 PolarHBondContact O-N 3.03Å; I217-V229 HydrophobicContact CB-CG1 4.25Å; I217-V229 HydrophobicContact CD1-CG1 4.11Å; I217-W230 WeakPolarHBondContact CA-O 3.14Å; I217-W230 VanDerWaalsContact CB-O 3.28Å; I217-W230 WeakPolarHBondContact CB-O 3.19Å; I217-F253 HydrophobicContact CD1-CE1 4.11Å; I217-F253 HydrophobicContact CD1-CZ 4.08Å; I217-F253 HydrophobicContact CG1-CZ 4.09Å; I217-L274 HydrophobicContact CD1-CD1 4.04Å
218F97.2Very high91.7Very high0 Ų037.3 Ų37.30%020%0.203CC..EExtended strand (participates in β ladder)trans-139.9165.8163.875.3-87.9000109.2L175 C183 F197 I207 D208 I209 W230 I232L175-F218 HydrophobicContact CD1-CD1 4.4Å; L175-F218 HydrophobicContact CD1-CD2 4.47Å; L175-F218 HydrophobicContact CD1-CE1 4.05Å; L175-F218 HydrophobicContact CD1-CE2 4.14Å; L175-F218 HydrophobicContact CD1-CZ 3.92Å; L175-F218 HydrophobicContact CD2-CB 3.95Å; L175-F218 HydrophobicContact CD2-CD1 4.09Å; L175-F218 HydrophobicContact CD2-CD2 3.55Å; L175-F218 HydrophobicContact CD2-CE1 4.48Å; L175-F218 HydrophobicContact CD2-CE2 4Å; L175-F218 HydrophobicContact CD2-CG 3.6Å; L175-F218 HydrophobicContact CD2-CZ 4.45Å; C183-F218 HydrophobicContact CB-CE2 4.12Å; C183-F218 HydrophobicContact CB-CZ 4.01Å; F197-F218 HydrophobicContact CB-CZ 4.27Å; F197-F218 AromaticContact CD1-CE1 3.73Å; F197-F218 HydrophobicContact CD1-CE1 3.73Å; F197-F218 AromaticContact CD1-CZ 3.9Å; F197-F218 HydrophobicContact CD1-CZ 3.9Å; F197-F218 AromaticContact CD2-CE1 3.96Å; F197-F218 HydrophobicContact CD2-CE1 3.96Å; F197-F218 AromaticContact CD2-CZ 3.83Å; F197-F218 HydrophobicContact CD2-CZ 3.83Å; F197-F218 AromaticContact CE1-CE1 3.55Å; F197-F218 HydrophobicContact CE1-CE1 3.55Å; F197-F218 HydrophobicContact CE1-CZ 4.19Å; F197-F218 AromaticContact CE2-CE1 3.83Å; F197-F218 HydrophobicContact CE2-CE1 3.83Å; F197-F218 HydrophobicContact CE2-CZ 4.16Å; F197-F218 AromaticContact CG-CE1 3.94Å; F197-F218 HydrophobicContact CG-CE1 3.94Å; F197-F218 AromaticContact CG-CZ 3.71Å; F197-F218 HydrophobicContact CG-CZ 3.71Å; F197-F218 AromaticContact CZ-CE1 3.63Å; F197-F218 HydrophobicContact CZ-CE1 3.63Å; F197-F218 HydrophobicContact CZ-CZ 4.33Å; I207-F218 HydrophobicContact CG2-CD2 4.27Å; I207-F218 HydrophobicContact CG2-CE2 4.21Å; D208-F218 WeakPolarHBondContact O-CA 3.25Å; D208-F218 WeakPolarHBondContact O-CB 3.38Å; I209-F218 HydrophobicContact CG1-CB 4.02Å; F218-W230 HydrophobicContact CD1-CB 3.72Å; F218-W230 HydrophobicContact CD1-CG 4.32Å; F218-W230 AromaticContact CD2-CD1 3.7Å; F218-W230 HydrophobicContact CD2-CG 4.4Å; F218-W230 HydrophobicContact CE1-CB 3.31Å; F218-W230 AromaticContact CE1-CD1 3.92Å; F218-W230 AromaticContact CE1-CG 3.7Å; F218-W230 HydrophobicContact CE1-CG 3.7Å; F218-W230 HydrophobicContact CE2-CB 4.23Å; F218-W230 AromaticContact CE2-CD1 3.18Å; F218-W230 AromaticContact CE2-CG 3.79Å; F218-W230 HydrophobicContact CE2-CG 3.79Å; F218-W230 AromaticContact CE2-NE1 3.73Å; F218-W230 HydrophobicContact CG-CB 4.33Å; F218-W230 HydrophobicContact CZ-CB 3.6Å; F218-W230 AromaticContact CZ-CD1 3.31Å; F218-W230 HydrophobicContact CZ-CD2 4.14Å; F218-W230 AromaticContact CZ-CG 3.39Å; F218-W230 HydrophobicContact CZ-CG 3.39Å; F218-W230 AromaticContact CZ-NE1 3.95Å; F218-W230 PolarHBondContact N-O 3.37Å; F218-W230 PolarHBondContact O-N 3.07Å; F218-I232 HydrophobicContact CD1-CD1 4.38Å; F218-I232 HydrophobicContact CD1-CG1 3.77Å; F218-I232 HydrophobicContact CE1-CG1 4.41Å
219I98.2Very high91.7Very high0 Ų036.3 Ų36.30%020%0.197CC..EExtended strand (participates in β ladder)trans-116.3150.1174.458.3-177.4000110.9I207 D208 L228 V229 V251 F253 F260I207-I219 WeakPolarHBondContact CA-O 3.4Å; D208-I219 HydrophobicContact CB-CD1 4.21Å; D208-I219 HydrophobicContact CB-CG1 3.94Å; D208-I219 PolarHBondContact N-O 2.96Å; D208-I219 PolarHBondContact O-N 3.42Å; I219-L228 CarbonylContact C-O 3.55Å; I219-L228 VanDerWaalsContact CA-O 3.23Å; I219-L228 WeakPolarHBondContact CA-O 3.41Å; I219-V229 HydrophobicContact CG2-CB 4.45Å; I219-V229 HydrophobicContact CG2-CG1 4.45Å; I219-V229 HydrophobicContact CG2-CG2 3.93Å; I219-V251 HydrophobicContact CD1-CB 3.89Å; I219-V251 HydrophobicContact CD1-CG2 4.07Å; I219-V251 HydrophobicContact CG1-CB 4.14Å; I219-V251 HydrophobicContact CG1-CG2 3.79Å; I219-F253 HydrophobicContact CB-CE2 4.13Å; I219-F253 HydrophobicContact CB-CZ 4.34Å; I219-F253 HydrophobicContact CD1-CD2 3.78Å; I219-F253 HydrophobicContact CD1-CE2 3.85Å; I219-F253 HydrophobicContact CD1-CG 4.22Å; I219-F253 HydrophobicContact CD1-CZ 4.37Å; I219-F253 HydrophobicContact CG1-CD2 3.9Å; I219-F253 HydrophobicContact CG1-CE2 3.55Å; I219-F253 HydrophobicContact CG1-CZ 4.18Å; I219-F253 HydrophobicContact CG2-CE1 4.19Å; I219-F253 HydrophobicContact CG2-CE2 3.85Å; I219-F253 HydrophobicContact CG2-CZ 3.55Å; I219-F260 HydrophobicContact CD1-CB 3.47Å; I219-F260 VanDerWaalsContact CD1-CB 3.47Å; I219-F260 HydrophobicContact CD1-CD2 3.85Å; I219-F260 HydrophobicContact CD1-CG 3.76Å; I219-F260 HydrophobicContact CG2-CD1 4.35Å; I219-F260 HydrophobicContact CG2-CG 4.42Å
220S98.6Very high91.8Very high0 Ų035.1 Ų35.10%019%0.191CC..EExtended strand (participates in β ladder)trans-133152.617060.30000111.5H200 S206 A227 L228 W230H200-S220 PolarHBondContact CD2-OG 3.15Å; H200-S220 PolarHBondContact NE2-OG 2.77Å; S206-S220 CarbonylContact O-C 3.54Å; S206-S220 WeakPolarHBondContact O-CA 3.36Å; S220-A227 CarbonylContact O-C 3.6Å; S220-A227 VanDerWaalsContact O-CA 3.24Å; S220-A227 WeakPolarHBondContact O-CA 3.43Å; S220-L228 PolarHBondContact N-O 2.56Å; S220-L228 PolarHBondContact O-N 3.36Å; S220-W230 PolarHBondContact OG-NE1 2.79Å
221G98.5Very high92Very high0 Ų036 Ų360%020%0.196CC..EExtended strand (participates in β ladder)trans-132.7145.6171.100000111F205 S206 I248F205-G221 PolarHBondContact N-O 2.9Å; S206-G221 PolarHBondContact N-O 3.47Å; S206-G221 PolarHBondContact O-N 2.83Å; G221-I248 CarbonylContact C-O 3.59Å
222G97.9Very high92.5Very high0 Ų032 Ų320%018%0.18CC..EExtended strand (participates in β ladder)trans-146.6-174.4-174.700000115.5D203 D224 K225 Q226 I248D203-G222 CarbonylContact O-C 3.54Å; D203-G222 WeakPolarHBondContact O-CA 3.16Å; G222-D224 PolarHBondContact O-N 3.33Å; G222-K225 PolarHBondContact O-N 3.14Å; G222-Q226 PolarHBondContact N-O 3.3Å; G222-I248 PolarHBondContact O-N 2.86Å
223A98.2Very high93.3Very high16 Ų1638.4 Ų38.413%0.13220%0.196CC..THydrogen-bonded Turntrans-72.6-11.8179.600000113.7S202 D203 F205 K225S202-A223 WeakPolarHBondContact OG-CB 3.32Å; D203-A223 HydrophobicContact CB-CB 4.3Å; D203-A223 PolarHBondContact O-N 3.36Å; F205-A223 HydrophobicContact CE2-CB 3.63Å; F205-A223 HydrophobicContact CZ-CB 3.95Å; A223-K225 PolarHBondContact O-N 2.88Å
224D97.7Very high94.5Very high30 Ų3035.8 Ų35.816%0.1618%0.182CC..THydrogen-bonded Turntrans-78.34.4171.460.86000113.5H200 M201 G222 Q226H200-D224 WeakPolarHBondContact CA-OD2 3.42Å; H200-D224 WeakPolarHBondContact CB-OD2 3.41Å; H200-D224 IonicContact CE1-OD1 3.03Å; H200-D224 IonicContact CE1-OD2 3.27Å; H200-D224 IonicContact CG-OD2 3.42Å; H200-D224 VanDerWaalsContact ND1-CG 3.3Å; H200-D224 IonicContact ND1-OD1 2.75Å; H200-D224 PolarHBondContact ND1-OD1 2.95Å; H200-D224 VanDerWaalsContact ND1-OD1 3.1Å; H200-D224 IonicContact ND1-OD2 3.48Å; H200-D224 PolarHBondContact ND1-OD2 2.92Å; M201-D224 HydrophobicContact CB-CB 4.08Å; M201-D224 PolarHBondContact N-OD2 3.08Å; G222-D224 PolarHBondContact O-N 3.33Å; D224-Q226 PolarHBondContact O-N 2.82Å; D224-Q226 PolarHBondContact OD1-N 3.01Å; D224-Q226 VanDerWaalsContact OD1-N 3.13Å
225K98.2Very high95.8Very high92 Ų9229.8 Ų29.840%0.415%0.146SC..SBendtrans66.117.2178.7-39.3177.6-175.5-171.10113.2G222 A223 E245G222-K225 PolarHBondContact O-N 3.14Å; A223-K225 PolarHBondContact O-N 2.88Å; K225-E245 WeakPolarHBondContact CE-O 3.48Å; K225-E245 PolarHBondContact NZ-O 3.2Å
226Q97.9Very high96.7Very high36 Ų3634 Ų3417%0.16816%0.162CC..EExtended strand (participates in β ladder)trans-107.4142.3-180-58.2-167.7-1900111H200 G222 D224 L228 E242 I248H200-Q226 PolarHBondContact CE1-O 3.19Å; G222-Q226 PolarHBondContact N-O 3.3Å; D224-Q226 PolarHBondContact O-N 2.82Å; D224-Q226 PolarHBondContact OD1-N 3.01Å; D224-Q226 VanDerWaalsContact OD1-N 3.13Å; Q226-L228 HydrophobicContact CB-CD2 4.12Å; Q226-L228 HydrophobicContact CB-CG 4.46Å; Q226-E242 HydrophobicContact CG-CG 4.17Å; Q226-E242 PolarHBondContact NE2-OE1 3.47Å; Q226-I248 VanDerWaalsContact C-CD1 3.49Å
227A98.5Very high97Very high0 Ų033 Ų330%016%0.16CC..EExtended strand (participates in β ladder)trans-106.3122.4161.900000108.8S220 F241 I248 F260 T262S220-A227 CarbonylContact O-C 3.6Å; S220-A227 VanDerWaalsContact O-CA 3.24Å; S220-A227 WeakPolarHBondContact O-CA 3.43Å; A227-F241 HydrophobicContact CB-CB 4.31Å; A227-F241 PolarHBondContact N-O 3.49Å; A227-F241 PolarHBondContact O-N 2.74Å; A227-I248 HydrophobicContact CB-CD1 4.16Å; A227-F260 HydrophobicContact CB-CE2 3.66Å; A227-F260 HydrophobicContact CB-CZ 4Å; A227-T262 HydrophobicContact CB-CG2 3.98Å
228L98.5Very high97Very high4 Ų434.9 Ų34.92%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-109.8140-176.1-58.3-174.7000110.1I219 S220 Q226 W230 C240I219-L228 CarbonylContact C-O 3.55Å; I219-L228 VanDerWaalsContact CA-O 3.23Å; I219-L228 WeakPolarHBondContact CA-O 3.41Å; S220-L228 PolarHBondContact N-O 2.56Å; S220-L228 PolarHBondContact O-N 3.36Å; Q226-L228 HydrophobicContact CB-CD2 4.12Å; Q226-L228 HydrophobicContact CB-CG 4.46Å; L228-W230 HydrophobicContact CB-CZ2 3.83Å; L228-W230 HydrophobicContact CD1-CH2 3.9Å; L228-W230 HydrophobicContact CD1-CZ2 3.44Å; L228-W230 VanDerWaalsContact CD1-CZ2 3.44Å; L228-W230 HydrophobicContact CG-CZ2 4.27Å; L228-C240 HydrophobicContact CD2-CB 3.61Å; L228-C240 WeakPolarHBondContact CD2-SG 3.4Å
229V98.1Very high97Very high1 Ų136.9 Ų36.91%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-106.9129.9171.9-172.70000108I217 I219 C237 V238 Q239 F241 F260 L274I217-V229 HydrophobicContact CB-CG1 4.25Å; I217-V229 HydrophobicContact CD1-CG1 4.11Å; I219-V229 HydrophobicContact CG2-CB 4.45Å; I219-V229 HydrophobicContact CG2-CG1 4.45Å; I219-V229 HydrophobicContact CG2-CG2 3.93Å; V229-C237 CarbonylContact O-C 3.56Å; V229-C237 WeakPolarHBondContact O-CA 3.4Å; V229-V238 HydrophobicContact CB-CG2 4Å; V229-V238 HydrophobicContact CG1-CG2 3.75Å; V229-V238 WeakPolarHBondContact O-CG2 3.21Å; V229-V238 PolarHBondContact O-N 2.91Å; V229-Q239 HydrophobicContact CB-CB 4.03Å; V229-Q239 HydrophobicContact CG2-CB 3.92Å; V229-Q239 PolarHBondContact N-O 2.88Å; V229-Q239 PolarHBondContact O-N 3.44Å; V229-F241 HydrophobicContact CG2-CD2 4.14Å; V229-F241 HydrophobicContact CG2-CE2 3.64Å; V229-F260 HydrophobicContact CG2-CE1 4.36Å; V229-L274 HydrophobicContact CG2-CD2 3.66Å
230W98Very high96.9Very high1 Ų138.9 Ų38.90%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-116.8140.7-174.7-55.391.6000111F197 H198 I217 F218 S220 L228 Q236 C237F197-W230 HydrophobicContact CB-CD2 4.08Å; F197-W230 HydrophobicContact CB-CE3 3.81Å; F197-W230 HydrophobicContact CB-CH2 4.27Å; F197-W230 HydrophobicContact CB-CZ2 4.5Å; F197-W230 HydrophobicContact CB-CZ3 3.92Å; F197-W230 HydrophobicContact CD1-CB 3.97Å; F197-W230 HydrophobicContact CD1-CD2 4.07Å; F197-W230 AromaticContact CD1-CE3 3.79Å; F197-W230 HydrophobicContact CD1-CE3 3.79Å; F197-W230 HydrophobicContact CD1-CG 4.18Å; F197-W230 HydrophobicContact CE1-CB 4.21Å; F197-W230 HydrophobicContact CG-CD2 4.42Å; F197-W230 HydrophobicContact CG-CE3 4.26Å; H198-W230 WeakPolarHBondContact O-CZ3 3.3Å; I217-W230 WeakPolarHBondContact CA-O 3.14Å; I217-W230 VanDerWaalsContact CB-O 3.28Å; I217-W230 WeakPolarHBondContact CB-O 3.19Å; F218-W230 HydrophobicContact CD1-CB 3.72Å; F218-W230 HydrophobicContact CD1-CG 4.32Å; F218-W230 AromaticContact CD2-CD1 3.7Å; F218-W230 HydrophobicContact CD2-CG 4.4Å; F218-W230 HydrophobicContact CE1-CB 3.31Å; F218-W230 AromaticContact CE1-CD1 3.92Å; F218-W230 AromaticContact CE1-CG 3.7Å; F218-W230 HydrophobicContact CE1-CG 3.7Å; F218-W230 HydrophobicContact CE2-CB 4.23Å; F218-W230 AromaticContact CE2-CD1 3.18Å; F218-W230 AromaticContact CE2-CG 3.79Å; F218-W230 HydrophobicContact CE2-CG 3.79Å; F218-W230 AromaticContact CE2-NE1 3.73Å; F218-W230 HydrophobicContact CG-CB 4.33Å; F218-W230 HydrophobicContact CZ-CB 3.6Å; F218-W230 AromaticContact CZ-CD1 3.31Å; F218-W230 HydrophobicContact CZ-CD2 4.14Å; F218-W230 AromaticContact CZ-CG 3.39Å; F218-W230 HydrophobicContact CZ-CG 3.39Å; F218-W230 AromaticContact CZ-NE1 3.95Å; F218-W230 PolarHBondContact N-O 3.37Å; F218-W230 PolarHBondContact O-N 3.07Å; S220-W230 PolarHBondContact OG-NE1 2.79Å; L228-W230 HydrophobicContact CB-CZ2 3.83Å; L228-W230 HydrophobicContact CD1-CH2 3.9Å; L228-W230 HydrophobicContact CD1-CZ2 3.44Å; L228-W230 VanDerWaalsContact CD1-CZ2 3.44Å; L228-W230 HydrophobicContact CG-CZ2 4.27Å; W230-Q236 WeakPolarHBondContact CA-O 3.33Å; W230-C237 HydrophobicContact CD2-CB 4.41Å; W230-C237 HydrophobicContact CE3-CB 3.78Å; W230-C237 HydrophobicContact CH2-CB 4.11Å; W230-C237 HydrophobicContact CZ3-CB 3.61Å
231D96.2Very high96.9Very high20 Ų2039.1 Ų39.111%0.10720%0.197CC..EExtended strand (participates in β ladder)trans-89.5117.1163.1-177-25000108.9R233 N234 G235 Q236 V238D231-R233 PolarHBondContact O-N 3.17Å; D231-R233 WeakPolarHBondContact OD1-CB 3.3Å; D231-R233 IonicContact OD1-CZ 2.68Å; D231-R233 PolarHBondContact OD1-N 2.75Å; D231-R233 IonicContact OD1-NE 2.78Å; D231-R233 PolarHBondContact OD1-NE 3.02Å; D231-R233 IonicContact OD1-NH2 2.94Å; D231-R233 IonicContact OD2-CZ 3.7Å; D231-R233 IonicContact OD2-NE 3.47Å; D231-R233 IonicContact OD2-NH2 3.95Å; D231-R233 PolarHBondContact OD2-NH2 2.89Å; D231-N234 WeakPolarHBondContact CB-OD1 2.81Å; D231-N234 PolarHBondContact O-N 2.94Å; D231-N234 PolarHBondContact O-OD1 3.24Å; D231-G235 PolarHBondContact O-N 2.61Å; D231-Q236 PolarHBondContact N-O 3.47Å; D231-V238 HydrophobicContact CB-CG1 3.79Å
232I94.9Very high96.7Very high35 Ų3543.6 Ų43.618%0.17922%0.218CC..THydrogen-bonded Turntrans-57.7-32.7-177.4-69.5172.4000111.4I185 N216 F218I185-I232 HydrophobicContact CD1-CB 4.37Å; I185-I232 HydrophobicContact CD1-CG1 4.25Å; I185-I232 HydrophobicContact CD1-CG2 3.56Å; N216-I232 HydrophobicContact CB-CB 4.43Å; N216-I232 WeakPolarHBondContact O-CB 3.48Å; N216-I232 WeakPolarHBondContact O-CG1 3.35Å; N216-I232 PolarHBondContact O-N 3.42Å; F218-I232 HydrophobicContact CD1-CD1 4.38Å; F218-I232 HydrophobicContact CD1-CG1 3.77Å; F218-I232 HydrophobicContact CE1-CG1 4.41Å
233R92.8Very high96.5Very high175 Ų17545.1 Ų45.166%0.6623%0.233SC*.THydrogen-bonded Turntrans-78.8-32.4-171.1-59.6171.7-65.3174.85.3113.4N216 D231N216-R233 HydrophobicContact CB-CG 4Å; D231-R233 PolarHBondContact O-N 3.17Å; D231-R233 WeakPolarHBondContact OD1-CB 3.3Å; D231-R233 IonicContact OD1-CZ 2.68Å; D231-R233 PolarHBondContact OD1-N 2.75Å; D231-R233 IonicContact OD1-NE 2.78Å; D231-R233 PolarHBondContact OD1-NE 3.02Å; D231-R233 IonicContact OD1-NH2 2.94Å; D231-R233 IonicContact OD2-CZ 3.7Å; D231-R233 IonicContact OD2-NE 3.47Å; D231-R233 IonicContact OD2-NH2 3.95Å; D231-R233 PolarHBondContact OD2-NH2 2.89Å
234N93.1Very high96.5Very high75 Ų7544.9 Ų44.940%0.40123%0.229SC..THydrogen-bonded Turntrans-111.9-8.1-175.567.615.3000113.2D231 Q236D231-N234 WeakPolarHBondContact CB-OD1 2.81Å; D231-N234 PolarHBondContact O-N 2.94Å; D231-N234 PolarHBondContact O-OD1 3.24Å; N234-Q236 HydrophobicContact CB-CG 4.32Å; N234-Q236 PolarHBondContact O-N 3.49Å; N234-Q236 PolarHBondContact O-NE2 2.76Å; N234-Q236 WeakPolarHBondContact OD1-CB 3.46Å; N234-Q236 PolarHBondContact OD1-N 2.78Å
235G94.9Very high96.5Very high5 Ų550.7 Ų50.75%0.05226%0.256CS..THydrogen-bonded Turntrans75.48.6179.200000114.9D231D231-G235 PolarHBondContact O-N 2.61Å
236Q96.5Very high96.5Very high119 Ų11947.4 Ų47.456%0.55625%0.246SC*.EExtended strand (participates in β ladder)trans-98.5145.5-172.2-57.4-58.4-5200111.7W230 D231 N234 V238W230-Q236 WeakPolarHBondContact CA-O 3.33Å; D231-Q236 PolarHBondContact N-O 3.47Å; N234-Q236 HydrophobicContact CB-CG 4.32Å; N234-Q236 PolarHBondContact O-N 3.49Å; N234-Q236 PolarHBondContact O-NE2 2.76Å; N234-Q236 WeakPolarHBondContact OD1-CB 3.46Å; N234-Q236 PolarHBondContact OD1-N 2.78Å; Q236-V238 PolarHBondContact O-N 2.88Å
237C97.1Very high96.5Very high50 Ų5047.9 Ų47.934%0.33825%0.249SC..EExtended strand (participates in β ladder)trans-72.4117.3165.3176.80000108.8V229 W230 Q239V229-C237 CarbonylContact O-C 3.56Å; V229-C237 WeakPolarHBondContact O-CA 3.4Å; W230-C237 HydrophobicContact CD2-CB 4.41Å; W230-C237 HydrophobicContact CE3-CB 3.78Å; W230-C237 HydrophobicContact CH2-CB 4.11Å; W230-C237 HydrophobicContact CZ3-CB 3.61Å; C237-Q239 PolarHBondContact SG-O 2.77Å
238V96.4Very high96.5Very high74 Ų7448 Ų4845%0.44825%0.25SC..EExtended strand (participates in β ladder)trans-94.8-27.3-178.5-64.70000113V229 D231 Q236V229-V238 HydrophobicContact CB-CG2 4Å; V229-V238 HydrophobicContact CG1-CG2 3.75Å; V229-V238 WeakPolarHBondContact O-CG2 3.21Å; V229-V238 PolarHBondContact O-N 2.91Å; D231-V238 HydrophobicContact CB-CG1 3.79Å; Q236-V238 PolarHBondContact O-N 2.88Å
239Q96.7Very high96.5Very high42 Ų4249.1 Ų49.120%0.19626%0.256CS..EExtended strand (participates in β ladder)trans-144.3144.1174.3-64.2178.4-78.900110.4V229 C237 F241 L274 D277V229-Q239 HydrophobicContact CB-CB 4.03Å; V229-Q239 HydrophobicContact CG2-CB 3.92Å; V229-Q239 PolarHBondContact N-O 2.88Å; V229-Q239 PolarHBondContact O-N 3.44Å; C237-Q239 PolarHBondContact SG-O 2.77Å; Q239-F241 HydrophobicContact CB-CD2 4.37Å; Q239-F241 HydrophobicContact CB-CE2 3.64Å; Q239-F241 HydrophobicContact CB-CZ 4.21Å; Q239-L274 PolarHBondContact NE2-O 3.07Å; Q239-D277 PolarHBondContact NE2-OD1 3.03Å
240C97.1Very high96.5Very high41 Ų4149.3 Ų49.328%0.27726%0.258SS..EExtended strand (participates in β ladder)trans-124.8127.4174.7172.60000109L228L228-C240 HydrophobicContact CD2-CB 3.61Å; L228-C240 WeakPolarHBondContact CD2-SG 3.4Å
241F97.6Very high96.5Very high6 Ų649.3 Ų49.33%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-114.3116.7179.3-65-88.1000109.7A227 V229 Q239 F260 F272 L274A227-F241 HydrophobicContact CB-CB 4.31Å; A227-F241 PolarHBondContact N-O 3.49Å; A227-F241 PolarHBondContact O-N 2.74Å; V229-F241 HydrophobicContact CG2-CD2 4.14Å; V229-F241 HydrophobicContact CG2-CE2 3.64Å; Q239-F241 HydrophobicContact CB-CD2 4.37Å; Q239-F241 HydrophobicContact CB-CE2 3.64Å; Q239-F241 HydrophobicContact CB-CZ 4.21Å; F241-F260 HydrophobicContact CB-CZ 4.16Å; F241-F260 HydrophobicContact CD1-CZ 4.48Å; F241-F260 AromaticContact CD2-CE1 3.68Å; F241-F260 HydrophobicContact CD2-CE1 3.68Å; F241-F260 AromaticContact CD2-CZ 3.44Å; F241-F260 HydrophobicContact CD2-CZ 3.44Å; F241-F260 VanDerWaalsContact CD2-CZ 3.44Å; F241-F260 AromaticContact CE2-CE1 3.59Å; F241-F260 HydrophobicContact CE2-CE1 3.59Å; F241-F260 AromaticContact CE2-CZ 3.89Å; F241-F260 HydrophobicContact CE2-CZ 3.89Å; F241-F260 HydrophobicContact CG-CE1 4.25Å; F241-F260 AromaticContact CG-CZ 3.77Å; F241-F260 HydrophobicContact CG-CZ 3.77Å; F241-F260 HydrophobicContact CZ-CE1 4.08Å; F241-F272 HydrophobicContact CB-CD1 3.89Å; F241-F272 HydrophobicContact CB-CE1 3.89Å; F241-F272 HydrophobicContact CB-CG 4.29Å; F241-F272 HydrophobicContact CB-CZ 4.3Å; F241-F272 HydrophobicContact CD1-CB 3.99Å; F241-F272 AromaticContact CD1-CD1 3.41Å; F241-F272 HydrophobicContact CD1-CD1 3.41Å; F241-F272 VanDerWaalsContact CD1-CD1 3.41Å; F241-F272 HydrophobicContact CD1-CE1 4.13Å; F241-F272 AromaticContact CD1-CG 3.92Å; F241-F272 HydrophobicContact CD1-CG 3.92Å; F241-F272 HydrophobicContact CE1-CB 4.1Å; F241-F272 HydrophobicContact CE1-CD1 4.21Å; F241-F272 HydrophobicContact CG-CB 4.41Å; F241-F272 AromaticContact CG-CD1 3.91Å; F241-F272 HydrophobicContact CG-CD1 3.91Å; F241-F272 HydrophobicContact CG-CE1 4.41Å; F241-F272 HydrophobicContact CG-CG 4.19Å; F241-L274 HydrophobicContact CE2-CD2 3.93Å; F241-L274 HydrophobicContact CZ-CD2 4.02Å
242E94.8Very high96.6Very high93 Ų9349.3 Ų49.344%0.43526%0.256SS..EExtended strand (participates in β ladder)trans-110.3146.4173.9-61.2179150.300108.9R31 Q226R31-E242 IonicContact CZ-OE2 3.48Å; R31-E242 IonicContact NH2-OE1 3.96Å; R31-E242 IonicContact NH2-OE2 2.63Å; R31-E242 PolarHBondContact NH2-OE2 3.45Å; Q226-E242 HydrophobicContact CG-CG 4.17Å; Q226-E242 PolarHBondContact NE2-OE1 3.47Å
243G93.1Very high96.8Very high32 Ų3248.2 Ų48.233%0.3325%0.25SS..  trans174.2-37.4172.400000113.3R270G243-R270 VanDerWaalsContact CA-NH1 3.27Å; G243-R270 PolarHBondContact O-NH1 2.79Å; G243-R270 PolarHBondContact O-NH2 3.29Å
244H97.7Very high97Very high11 Ų1141.7 Ų41.75%0.05123%0.227CC..  trans-62.7148.7179.7-80.9-68000112.4I248 T262 S264 D266 S268 R270H244-I248 HydrophobicContact CB-CD1 4.47Å; H244-I248 HydrophobicContact CB-CG1 4.2Å; H244-T262 PolarHBondContact CD2-OG1 3.07Å; H244-T262 PolarHBondContact NE2-OG1 2.82Å; H244-S264 WeakPolarHBondContact CE1-CB 3.36Å; H244-S264 WeakPolarHBondContact ND1-CB 3.47Å; H244-D266 WeakPolarHBondContact CA-OD2 3.36Å; H244-D266 IonicContact CE1-OD1 3.18Å; H244-D266 IonicContact CE1-OD2 3.78Å; H244-D266 IonicContact CG-OD2 2.7Å; H244-D266 VanDerWaalsContact ND1-CG 3.34Å; H244-D266 IonicContact ND1-OD1 3.36Å; H244-D266 PolarHBondContact ND1-OD1 2.99Å; H244-D266 IonicContact ND1-OD2 2.74Å; H244-D266 PolarHBondContact ND1-OD2 2.61Å; H244-S268 PolarHBondContact CE1-O 3.49Å; H244-S268 PolarHBondContact CE1-OG 3.15Å; H244-S268 VanDerWaalsContact CE1-OG 3.25Å; H244-S268 PolarHBondContact ND1-OG 3.35Å; H244-R270 VanDerWaalsContact CE1-CD 3.49Å; H244-R270 WeakPolarHBondContact CE1-CD 3.4Å; H244-R270 PolarHBondContact ND1-NE 2.8Å
245E97.6Very high97.1Very high152 Ų15240 Ų4071%0.7122%0.22SC*.SBendtrans-92-12.8-179.7-61.8-172.9168.700112.5K225 D266K225-E245 WeakPolarHBondContact CE-O 3.48Å; K225-E245 PolarHBondContact NZ-O 3.2Å; E245-D266 HydrophobicContact CB-CB 4.09Å; E245-D266 PolarHBondContact N-OD2 3.13Å
246A98.2Very high97Very high23 Ų2342.7 Ų42.719%0.1924%0.238CC..SBendtrans-142.7-175.7177.700000111S264 D265 D266A246-S264 PolarHBondContact O-OG 2.97Å; A246-S264 VanDerWaalsContact O-OG 3.1Å; A246-D265 HydrophobicContact CB-CB 3.63Å; A246-D266 HydrophobicContact CB-CB 4.09Å
247D98.4Very high96.9Very high47 Ų4737.5 Ų37.525%0.25122%0.217SC..  trans-54.9144.6-173.9-61.817.8000112.7F205 S264 D265F205-D247 HydrophobicContact CE2-CB 3.96Å; D247-S264 CarbonylContact O-C 3.56Å; D247-S264 WeakPolarHBondContact O-CA 3.45Å; D247-S264 VanDerWaalsContact O-CB 3.23Å; D247-S264 WeakPolarHBondContact O-CB 3.42Å; D247-S264 PolarHBondContact O-OG 3.3Å; D247-D265 HydrophobicContact CB-CB 4.44Å; D247-D265 PolarHBondContact O-N 3.38Å
248I98.7Very high96.8Very high1 Ų138.1 Ų38.11%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-98.6103.8176-62.3174000109.1G221 G222 Q226 A227 H244 V251 T262G221-I248 CarbonylContact C-O 3.59Å; G222-I248 PolarHBondContact O-N 2.86Å; Q226-I248 VanDerWaalsContact C-CD1 3.49Å; A227-I248 HydrophobicContact CB-CD1 4.16Å; H244-I248 HydrophobicContact CB-CD1 4.47Å; H244-I248 HydrophobicContact CB-CG1 4.2Å; I248-V251 HydrophobicContact CG2-CG1 3.75Å; I248-T262 HydrophobicContact CG2-CG2 4.21Å
249N98.4Very high96.8Very high29 Ų2935.1 Ų35.116%0.15520%0.2CC..EExtended strand (participates in β ladder)trans-80.1-32.5-176.7-61-47.5000113.3S206 G263 D265 I292S206-N249 VanDerWaalsContact CB-O 3.29Å; S206-N249 WeakPolarHBondContact CB-O 3.43Å; S206-N249 PolarHBondContact OG-O 3.27Å; N249-G263 PolarHBondContact N-O 3.28Å; N249-D265 PolarHBondContact ND2-OD1 3Å; N249-I292 WeakPolarHBondContact CB-O 3.33Å; N249-I292 PolarHBondContact ND2-O 3.36Å
250A98.3Very high96.9Very high5 Ų533.1 Ų33.14%0.04119%0.19CC..EExtended strand (participates in β ladder)trans-140.8136.3-173.100000111.9S206 T262 G263 I295S206-A250 VanDerWaalsContact OG-CA 3.24Å; S206-A250 WeakPolarHBondContact OG-CA 3.12Å; A250-T262 CarbonylContact O-C 3.57Å; A250-T262 VanDerWaalsContact O-CA 3.25Å; A250-T262 WeakPolarHBondContact O-CA 3.46Å; A250-G263 PolarHBondContact N-O 3.47Å; A250-G263 PolarHBondContact O-N 3.18Å; A250-I295 HydrophobicContact CB-CD1 4.48Å; A250-I295 HydrophobicContact CB-CG1 3.87Å
251V98.5Very high96.9Very high0 Ų031.2 Ų31.20%018%0.177CC..EExtended strand (participates in β ladder)trans-127.6139.9173.1-57.70000110.1S206 D208 I219 I248 A261 T262S206-V251 PolarHBondContact OG-N 3.41Å; S206-V251 VanDerWaalsContact OG-N 3.1Å; D208-V251 HydrophobicContact CB-CG2 4.34Å; I219-V251 HydrophobicContact CD1-CB 3.89Å; I219-V251 HydrophobicContact CD1-CG2 4.07Å; I219-V251 HydrophobicContact CG1-CB 4.14Å; I219-V251 HydrophobicContact CG1-CG2 3.79Å; I248-V251 HydrophobicContact CG2-CG1 3.75Å; V251-A261 WeakPolarHBondContact CA-O 3.32Å; V251-T262 HydrophobicContact CG1-CG2 4.09Å
252R98.3Very high97Very high20 Ų2030.9 Ų30.98%0.07518%0.176CC..EExtended strand (participates in β ladder)trans-146.5134.9174.8-72.3-64.2175.4-105.81.1112.2R166 I207 D208 F260 A261 I295 F297R166-R252 VanDerWaalsContact NH2-NH2 3.19Å; I207-R252 PolarHBondContact O-NH1 3.01Å; D208-R252 WeakPolarHBondContact OD2-CA 3.36Å; R252-F260 CarbonylContact O-C 3.59Å; R252-F260 WeakPolarHBondContact O-CA 3.21Å; R252-F260 VanDerWaalsContact O-CB 3.29Å; R252-F260 WeakPolarHBondContact O-CB 3.15Å; R252-A261 PolarHBondContact N-O 3.04Å; R252-A261 PolarHBondContact O-N 3Å; R252-I295 HydrophobicContact CB-CD1 4.32Å; R252-I295 HydrophobicContact CB-CG1 4.2Å; R252-I295 HydrophobicContact CG-CD1 4.49Å; R252-I295 HydrophobicContact CG-CG1 3.88Å; R252-I295 WeakPolarHBondContact CG-O 3.39Å; R252-F297 HydrophobicContact CB-CD2 4.38Å; R252-F297 HydrophobicContact CB-CE2 4.49Å
253F97.7Very high97.2Very high12 Ų1226.5 Ų26.55%0.05316%0.155CC..EExtended strand (participates in β ladder)trans-65.6139.1169.5-83.8-82.4000111D208 P210 I217 I219 F260 L274 F297D208-F253 HydrophobicContact CB-CD2 4.12Å; D208-F253 WeakPolarHBondContact O-CE2 3.38Å; D208-F253 PolarHBondContact OD2-N 3.22Å; P210-F253 HydrophobicContact CB-CD1 3.96Å; P210-F253 HydrophobicContact CB-CD2 4.12Å; P210-F253 HydrophobicContact CB-CE1 4.1Å; P210-F253 HydrophobicContact CB-CE2 4.27Å; P210-F253 HydrophobicContact CB-CG 3.95Å; P210-F253 HydrophobicContact CB-CZ 4.24Å; P210-F253 HydrophobicContact CG-CE1 4.36Å; P210-F253 HydrophobicContact CG-CE2 4.21Å; P210-F253 HydrophobicContact CG-CZ 4.11Å; P210-F253 VanDerWaalsContact N-CD2 3.33Å; I217-F253 HydrophobicContact CD1-CE1 4.11Å; I217-F253 HydrophobicContact CD1-CZ 4.08Å; I217-F253 HydrophobicContact CG1-CZ 4.09Å; I219-F253 HydrophobicContact CB-CE2 4.13Å; I219-F253 HydrophobicContact CB-CZ 4.34Å; I219-F253 HydrophobicContact CD1-CD2 3.78Å; I219-F253 HydrophobicContact CD1-CE2 3.85Å; I219-F253 HydrophobicContact CD1-CG 4.22Å; I219-F253 HydrophobicContact CD1-CZ 4.37Å; I219-F253 HydrophobicContact CG1-CD2 3.9Å; I219-F253 HydrophobicContact CG1-CE2 3.55Å; I219-F253 HydrophobicContact CG1-CZ 4.18Å; I219-F253 HydrophobicContact CG2-CE1 4.19Å; I219-F253 HydrophobicContact CG2-CE2 3.85Å; I219-F253 HydrophobicContact CG2-CZ 3.55Å; F253-F260 HydrophobicContact CD1-CB 4.42Å; F253-L274 HydrophobicContact CE1-CD1 4.05Å; F253-F297 WeakPolarHBondContact O-CD2 3.42Å
254H97.1Very high97.4Very high38 Ų3825 Ų2518%0.17614%0.14CC..  trans-64.4145.1161.4-178.1-95.8000109S256 G257 A259 F297 G301H254-S256 WeakPolarHBondContact ND1-CB 3.42Å; H254-S256 PolarHBondContact ND1-N 2.98Å; H254-S256 VanDerWaalsContact ND1-N 3.19Å; H254-S256 PolarHBondContact ND1-OG 2.77Å; H254-S256 PolarHBondContact O-N 3.44Å; H254-G257 PolarHBondContact O-N 2.99Å; H254-A259 HydrophobicContact CB-CB 3.89Å; H254-A259 VanDerWaalsContact CB-O 3.29Å; H254-A259 WeakPolarHBondContact CB-O 3.47Å; H254-A259 PolarHBondContact N-O 2.86Å; H254-F297 HydrophobicContact CB-CE2 4.23Å; H254-F297 HydrophobicContact CB-CZ 4.27Å; H254-F297 AromaticContact CD2-CE1 3.94Å; H254-G301 WeakPolarHBondContact NE2-CA 3.45Å
255P95.2Very high97.5Very high39 Ų3927.2 Ų27.225%0.25315%0.152SC..THydrogen-bonded Turntrans-56.1-22.5-177.1-2936.4000115.5G257 F297 L299P255-G257 VanDerWaalsContact C-N 3.3Å; P255-G257 PolarHBondContact O-N 2.96Å; P255-F297 HydrophobicContact CG-CB 4.23Å; P255-L299 WeakPolarHBondContact CB-O 3.36Å; P255-L299 WeakPolarHBondContact CG-O 3.45Å
256S93.6Very high97.5Very high62 Ų6221.6 Ų21.643%0.43413%0.127SC..THydrogen-bonded Turntrans-70.6-20.9174.467.60000114.2H254 D258H254-S256 WeakPolarHBondContact ND1-CB 3.42Å; H254-S256 PolarHBondContact ND1-N 2.98Å; H254-S256 VanDerWaalsContact ND1-N 3.19Å; H254-S256 PolarHBondContact ND1-OG 2.77Å; H254-S256 PolarHBondContact O-N 3.44Å; S256-D258 PolarHBondContact O-N 2.7Å; S256-D258 PolarHBondContact OG-N 2.99Å
257G94.1Very high97.4Very high10 Ų1021.4 Ų21.410%0.10312%0.124CC..SBendtrans80.6-10.5-173.400000115.3H254 P255 L274H254-G257 PolarHBondContact O-N 2.99Å; P255-G257 VanDerWaalsContact C-N 3.3Å; P255-G257 PolarHBondContact O-N 2.96Å; G257-L274 WeakPolarHBondContact O-CD1 3.4Å
258D95Very high97.4Very high64 Ų6419.3 Ų19.334%0.34211%0.113SC..SBendtrans-90-6-177.5-70.1-30.4000114.1S256 L274 R275S256-D258 PolarHBondContact O-N 2.7Å; S256-D258 PolarHBondContact OG-N 2.99Å; D258-L274 WeakPolarHBondContact O-CB 3.3Å; D258-L274 PolarHBondContact O-N 3.22Å; D258-R275 IonicContact OD2-CZ 3.92Å; D258-R275 IonicContact OD2-NE 3.1Å; D258-R275 IonicContact OD2-NH1 3.66Å; D258-R275 PolarHBondContact OD2-NH1 3.04Å
259A96.7Very high97.4Very high11 Ų1119.3 Ų19.39%0.09111%0.113CC..EExtended strand (participates in β ladder)trans-146.6164-176.500000110.1H254 L271 F272H254-A259 HydrophobicContact CB-CB 3.89Å; H254-A259 VanDerWaalsContact CB-O 3.29Å; H254-A259 WeakPolarHBondContact CB-O 3.47Å; H254-A259 PolarHBondContact N-O 2.86Å; A259-L271 HydrophobicContact CB-CD1 4.48Å; A259-F272 CarbonylContact C-O 3.59Å; A259-F272 WeakPolarHBondContact CA-O 3.5Å; A259-F272 VanDerWaalsContact CB-O 3.24Å; A259-F272 WeakPolarHBondContact CB-O 3.4Å
260F98.1Very high97.4Very high0 Ų019 Ų190%011%0.11CC..EExtended strand (participates in β ladder)trans-148.2154.2173.568.9-85.8000110.9I219 A227 V229 F241 R252 F253 T262 L271 F272 L274I219-F260 HydrophobicContact CD1-CB 3.47Å; I219-F260 VanDerWaalsContact CD1-CB 3.47Å; I219-F260 HydrophobicContact CD1-CD2 3.85Å; I219-F260 HydrophobicContact CD1-CG 3.76Å; I219-F260 HydrophobicContact CG2-CD1 4.35Å; I219-F260 HydrophobicContact CG2-CG 4.42Å; A227-F260 HydrophobicContact CB-CE2 3.66Å; A227-F260 HydrophobicContact CB-CZ 4Å; V229-F260 HydrophobicContact CG2-CE1 4.36Å; F241-F260 HydrophobicContact CB-CZ 4.16Å; F241-F260 HydrophobicContact CD1-CZ 4.48Å; F241-F260 AromaticContact CD2-CE1 3.68Å; F241-F260 HydrophobicContact CD2-CE1 3.68Å; F241-F260 AromaticContact CD2-CZ 3.44Å; F241-F260 HydrophobicContact CD2-CZ 3.44Å; F241-F260 VanDerWaalsContact CD2-CZ 3.44Å; F241-F260 AromaticContact CE2-CE1 3.59Å; F241-F260 HydrophobicContact CE2-CE1 3.59Å; F241-F260 AromaticContact CE2-CZ 3.89Å; F241-F260 HydrophobicContact CE2-CZ 3.89Å; F241-F260 HydrophobicContact CG-CE1 4.25Å; F241-F260 AromaticContact CG-CZ 3.77Å; F241-F260 HydrophobicContact CG-CZ 3.77Å; F241-F260 HydrophobicContact CZ-CE1 4.08Å; R252-F260 CarbonylContact O-C 3.59Å; R252-F260 WeakPolarHBondContact O-CA 3.21Å; R252-F260 VanDerWaalsContact O-CB 3.29Å; R252-F260 WeakPolarHBondContact O-CB 3.15Å; F253-F260 HydrophobicContact CD1-CB 4.42Å; F260-T262 HydrophobicContact CD2-CG2 3.94Å; F260-T262 HydrophobicContact CE2-CG2 3.65Å; F260-L271 WeakPolarHBondContact O-CD1 3.24Å; F260-F272 HydrophobicContact CD1-CB 4.04Å; F260-F272 HydrophobicContact CD2-CB 4.49Å; F260-F272 HydrophobicContact CD2-CD2 4.17Å; F260-F272 HydrophobicContact CE1-CB 3.52Å; F260-F272 HydrophobicContact CE1-CG 4.28Å; F260-F272 HydrophobicContact CE2-CB 4.02Å; F260-F272 AromaticContact CE2-CD2 3.49Å; F260-F272 HydrophobicContact CE2-CD2 3.49Å; F260-F272 VanDerWaalsContact CE2-CD2 3.49Å; F260-F272 HydrophobicContact CE2-CE2 4.27Å; F260-F272 HydrophobicContact CE2-CG 4.03Å; F260-F272 HydrophobicContact CG-CB 4.49Å; F260-F272 HydrophobicContact CZ-CB 3.51Å; F260-F272 AromaticContact CZ-CD2 3.7Å; F260-F272 HydrophobicContact CZ-CD2 3.7Å; F260-F272 AromaticContact CZ-CG 3.75Å; F260-F272 HydrophobicContact CZ-CG 3.75Å; F260-F272 PolarHBondContact N-O 2.84Å; F260-F272 PolarHBondContact O-N 3.43Å; F260-L274 HydrophobicContact CD1-CD2 3.69Å; F260-L274 HydrophobicContact CD1-CG 4.28Å; F260-L274 HydrophobicContact CE1-CD2 3.62Å
261A98.5Very high97.4Very high0 Ų019.1 Ų19.10%011%0.11CC..EExtended strand (participates in β ladder)trans-107.7157.4171.800000111.6V251 R252 R270 L271 I295 F297 L304V251-A261 WeakPolarHBondContact CA-O 3.32Å; R252-A261 PolarHBondContact N-O 3.04Å; R252-A261 PolarHBondContact O-N 3Å; A261-R270 CarbonylContact C-O 3.56Å; A261-R270 WeakPolarHBondContact CA-O 3.25Å; A261-R270 WeakPolarHBondContact CB-O 3.37Å; A261-L271 HydrophobicContact CB-CD1 4.17Å; A261-I295 VanDerWaalsContact C-CD1 3.42Å; A261-I295 HydrophobicContact CB-CD1 3.88Å; A261-I295 VanDerWaalsContact O-CD1 3.27Å; A261-I295 WeakPolarHBondContact O-CD1 3.16Å; A261-F297 HydrophobicContact CB-CE2 3.66Å; A261-F297 HydrophobicContact CB-CZ 3.46Å; A261-F297 VanDerWaalsContact CB-CZ 3.46Å; A261-L304 HydrophobicContact CB-CD1 3.92Å; A261-L304 HydrophobicContact CB-CD2 4.22Å
262T98.7Very high97.4Very high0 Ų019.2 Ų19.20%011%0.11CC..EExtended strand (participates in β ladder)trans-129.3149.4175.556.20000109.9A227 H244 I248 A250 V251 F260 C269 R270 F272A227-T262 HydrophobicContact CB-CG2 3.98Å; H244-T262 PolarHBondContact CD2-OG1 3.07Å; H244-T262 PolarHBondContact NE2-OG1 2.82Å; I248-T262 HydrophobicContact CG2-CG2 4.21Å; A250-T262 CarbonylContact O-C 3.57Å; A250-T262 VanDerWaalsContact O-CA 3.25Å; A250-T262 WeakPolarHBondContact O-CA 3.46Å; V251-T262 HydrophobicContact CG1-CG2 4.09Å; F260-T262 HydrophobicContact CD2-CG2 3.94Å; F260-T262 HydrophobicContact CE2-CG2 3.65Å; T262-C269 CarbonylContact O-C 3.53Å; T262-C269 WeakPolarHBondContact O-CA 3.32Å; T262-C269 VanDerWaalsContact O-CB 3.28Å; T262-C269 WeakPolarHBondContact O-CB 3.38Å; T262-R270 PolarHBondContact N-O 3.23Å; T262-R270 PolarHBondContact O-N 3.29Å; T262-F272 HydrophobicContact CG2-CD2 4.02Å; T262-F272 HydrophobicContact CG2-CE2 3.74Å; T262-F272 WeakPolarHBondContact OG1-CE2 3.23Å
263G98.5Very high97.3Very high0 Ų019.9 Ų19.90%012%0.115CC..EExtended strand (participates in β ladder)trans-126.9133171.500000109.7N249 A250N249-G263 PolarHBondContact N-O 3.28Å; A250-G263 PolarHBondContact N-O 3.47Å; A250-G263 PolarHBondContact O-N 3.18Å
264S98.6Very high97.2Very high0 Ų020.2 Ų20.20%012%0.118CC..EExtended strand (participates in β ladder)trans-128.9162.3-168.5175.50000113.5H244 A246 D247 D266 S267 S268 I292H244-S264 WeakPolarHBondContact CE1-CB 3.36Å; H244-S264 WeakPolarHBondContact ND1-CB 3.47Å; A246-S264 PolarHBondContact O-OG 2.97Å; A246-S264 VanDerWaalsContact O-OG 3.1Å; D247-S264 CarbonylContact O-C 3.56Å; D247-S264 WeakPolarHBondContact O-CA 3.45Å; D247-S264 VanDerWaalsContact O-CB 3.23Å; D247-S264 WeakPolarHBondContact O-CB 3.42Å; D247-S264 PolarHBondContact O-OG 3.3Å; S264-D266 WeakPolarHBondContact CB-OD1 3.16Å; S264-D266 PolarHBondContact O-N 3.04Å; S264-D266 PolarHBondContact OG-N 3.25Å; S264-D266 PolarHBondContact OG-OD1 3.27Å; S264-S267 PolarHBondContact O-N 3.42Å; S264-S268 PolarHBondContact N-O 2.72Å; S264-I292 PolarHBondContact O-N 2.93Å
265D98.3Very high97.1Very high58 Ų5827.2 Ų27.231%0.3114%0.142SC..THydrogen-bonded Turntrans-60.9-18.9167-87.39.3000113.2A246 D247 N249 S267 P291A246-D265 HydrophobicContact CB-CB 3.63Å; D247-D265 HydrophobicContact CB-CB 4.44Å; D247-D265 PolarHBondContact O-N 3.38Å; N249-D265 PolarHBondContact ND2-OD1 3Å; D265-S267 PolarHBondContact O-N 2.9Å; D265-S267 VanDerWaalsContact O-N 3.08Å; D265-P291 HydrophobicContact CB-CG 4.41Å; D265-P291 VanDerWaalsContact OD1-CB 3.24Å; D265-P291 WeakPolarHBondContact OD1-CB 3.38Å
266D97.9Very high97.1Very high35 Ų3527.4 Ų27.419%0.18715%0.147CC..THydrogen-bonded Turntrans-73.78.2174.974.48.8000113.8H244 E245 A246 S264 S268 R270H244-D266 WeakPolarHBondContact CA-OD2 3.36Å; H244-D266 IonicContact CE1-OD1 3.18Å; H244-D266 IonicContact CE1-OD2 3.78Å; H244-D266 IonicContact CG-OD2 2.7Å; H244-D266 VanDerWaalsContact ND1-CG 3.34Å; H244-D266 IonicContact ND1-OD1 3.36Å; H244-D266 PolarHBondContact ND1-OD1 2.99Å; H244-D266 IonicContact ND1-OD2 2.74Å; H244-D266 PolarHBondContact ND1-OD2 2.61Å; E245-D266 HydrophobicContact CB-CB 4.09Å; E245-D266 PolarHBondContact N-OD2 3.13Å; A246-D266 HydrophobicContact CB-CB 4.09Å; S264-D266 WeakPolarHBondContact CB-OD1 3.16Å; S264-D266 PolarHBondContact O-N 3.04Å; S264-D266 PolarHBondContact OG-N 3.25Å; S264-D266 PolarHBondContact OG-OD1 3.27Å; D266-S268 VanDerWaalsContact CG-OG 3.3Å; D266-S268 PolarHBondContact O-N 3.15Å; D266-S268 VanDerWaalsContact OD1-CB 3.3Å; D266-S268 WeakPolarHBondContact OD1-CB 3.09Å; D266-S268 PolarHBondContact OD1-N 2.89Å; D266-S268 PolarHBondContact OD1-OG 3.32Å; D266-S268 PolarHBondContact OD2-OG 2.87Å; D266-R270 IonicContact OD2-NH2 3.06Å
267S97.7Very high97.3Very high18 Ų1825.9 Ų25.913%0.12613%0.134CC..SBendtrans66.313.2179.3-46.20000114.6S264 D265 I288 I289 F290S264-S267 PolarHBondContact O-N 3.42Å; D265-S267 PolarHBondContact O-N 2.9Å; D265-S267 VanDerWaalsContact O-N 3.08Å; S267-I288 WeakPolarHBondContact CB-O 3.49Å; S267-I289 WeakPolarHBondContact OG-CA 3.17Å; S267-I289 PolarHBondContact OG-O 2.85Å; S267-F290 PolarHBondContact OG-N 2.89Å; S267-F290 PolarHBondContact OG-O 2.67Å
268S97.9Very high97.3Very high4 Ų428.8 Ų28.83%0.02814%0.142CC..  trans-111.6148175.3780000112.2H244 S264 D266 I292H244-S268 PolarHBondContact CE1-O 3.49Å; H244-S268 PolarHBondContact CE1-OG 3.15Å; H244-S268 VanDerWaalsContact CE1-OG 3.25Å; H244-S268 PolarHBondContact ND1-OG 3.35Å; S264-S268 PolarHBondContact N-O 2.72Å; D266-S268 VanDerWaalsContact CG-OG 3.3Å; D266-S268 PolarHBondContact O-N 3.15Å; D266-S268 VanDerWaalsContact OD1-CB 3.3Å; D266-S268 WeakPolarHBondContact OD1-CB 3.09Å; D266-S268 PolarHBondContact OD1-N 2.89Å; D266-S268 PolarHBondContact OD1-OG 3.32Å; D266-S268 PolarHBondContact OD2-OG 2.87Å; S268-I292 WeakPolarHBondContact O-CD1 3.34Å
269C98.5Very high97.4Very high0 Ų028.1 Ų28.10%014%0.137CC..EExtended strand (participates in β ladder)trans-98.9150154.9-61.40000109.3T262 F283 I292 L304T262-C269 CarbonylContact O-C 3.53Å; T262-C269 WeakPolarHBondContact O-CA 3.32Å; T262-C269 VanDerWaalsContact O-CB 3.28Å; T262-C269 WeakPolarHBondContact O-CB 3.38Å; C269-F283 HydrophobicContact CB-CB 4.06Å; C269-F283 HydrophobicContact CB-CD2 3.74Å; C269-F283 HydrophobicContact CB-CG 4.36Å; C269-F283 PolarHBondContact N-O 3.03Å; C269-F283 PolarHBondContact O-N 2.9Å; C269-I292 HydrophobicContact CB-CD1 4.36Å; C269-I292 WeakPolarHBondContact SG-CD1 3.45Å; C269-L304 HydrophobicContact CB-CD2 3.82Å
270R98.3Very high97.3Very high22 Ų2229.6 Ų29.68%0.08315%0.145CC..EExtended strand (participates in β ladder)trans-128.1152.3172.8-65176.2-175.1-150.716.4110.3G243 H244 A261 T262 D266 F272 Q279 C281 E282G243-R270 VanDerWaalsContact CA-NH1 3.27Å; G243-R270 PolarHBondContact O-NH1 2.79Å; G243-R270 PolarHBondContact O-NH2 3.29Å; H244-R270 VanDerWaalsContact CE1-CD 3.49Å; H244-R270 WeakPolarHBondContact CE1-CD 3.4Å; H244-R270 PolarHBondContact ND1-NE 2.8Å; A261-R270 CarbonylContact C-O 3.56Å; A261-R270 WeakPolarHBondContact CA-O 3.25Å; A261-R270 WeakPolarHBondContact CB-O 3.37Å; T262-R270 PolarHBondContact N-O 3.23Å; T262-R270 PolarHBondContact O-N 3.29Å; D266-R270 IonicContact OD2-NH2 3.06Å; R270-F272 HydrophobicContact CB-CD2 4.5Å; R270-F272 HydrophobicContact CB-CE2 3.78Å; R270-F272 HydrophobicContact CB-CZ 4.04Å; R270-Q279 HydrophobicContact CB-CG 4.34Å; R270-C281 WeakPolarHBondContact CA-O 3.35Å; R270-E282 HydrophobicContact CG-CG 4.34Å
271L98.2Very high97.2Very high8 Ų829.8 Ų29.84%0.04215%0.146CC..EExtended strand (participates in β ladder)trans-114130.9171.6-172.373.4000108.6A259 F260 A261 Q279 V280 C281 F283 F297 V318A259-L271 HydrophobicContact CB-CD1 4.48Å; F260-L271 WeakPolarHBondContact O-CD1 3.24Å; A261-L271 HydrophobicContact CB-CD1 4.17Å; L271-Q279 WeakPolarHBondContact O-CA 3.34Å; L271-V280 HydrophobicContact CB-CG2 3.93Å; L271-V280 HydrophobicContact CD2-CG2 3.68Å; L271-V280 HydrophobicContact CG-CG2 3.73Å; L271-V280 WeakPolarHBondContact O-CG2 3.28Å; L271-V280 PolarHBondContact O-N 3.39Å; L271-C281 HydrophobicContact CB-CB 3.71Å; L271-C281 HydrophobicContact CD2-CB 4.49Å; L271-C281 PolarHBondContact N-O 2.77Å; L271-C281 VanDerWaalsContact N-O 3.1Å; L271-C281 PolarHBondContact O-N 3.12Å; L271-F283 HydrophobicContact CB-CE2 4Å; L271-F283 HydrophobicContact CB-CZ 4.35Å; L271-F297 HydrophobicContact CD1-CE1 4.27Å; L271-F297 HydrophobicContact CD1-CZ 3.66Å; L271-V318 HydrophobicContact CD2-CG1 3.74Å
272F97.8Very high97.1Very high3 Ų334.2 Ų34.21%0.01317%0.167CC..EExtended strand (participates in β ladder)trans-116.7135.9176.3-61.7-84.7000109.7F241 A259 F260 T262 R270 R278 Q279F241-F272 HydrophobicContact CB-CD1 3.89Å; F241-F272 HydrophobicContact CB-CE1 3.89Å; F241-F272 HydrophobicContact CB-CG 4.29Å; F241-F272 HydrophobicContact CB-CZ 4.3Å; F241-F272 HydrophobicContact CD1-CB 3.99Å; F241-F272 AromaticContact CD1-CD1 3.41Å; F241-F272 HydrophobicContact CD1-CD1 3.41Å; F241-F272 VanDerWaalsContact CD1-CD1 3.41Å; F241-F272 HydrophobicContact CD1-CE1 4.13Å; F241-F272 AromaticContact CD1-CG 3.92Å; F241-F272 HydrophobicContact CD1-CG 3.92Å; F241-F272 HydrophobicContact CE1-CB 4.1Å; F241-F272 HydrophobicContact CE1-CD1 4.21Å; F241-F272 HydrophobicContact CG-CB 4.41Å; F241-F272 AromaticContact CG-CD1 3.91Å; F241-F272 HydrophobicContact CG-CD1 3.91Å; F241-F272 HydrophobicContact CG-CE1 4.41Å; F241-F272 HydrophobicContact CG-CG 4.19Å; A259-F272 CarbonylContact C-O 3.59Å; A259-F272 WeakPolarHBondContact CA-O 3.5Å; A259-F272 VanDerWaalsContact CB-O 3.24Å; A259-F272 WeakPolarHBondContact CB-O 3.4Å; F260-F272 HydrophobicContact CD1-CB 4.04Å; F260-F272 HydrophobicContact CD2-CB 4.49Å; F260-F272 HydrophobicContact CD2-CD2 4.17Å; F260-F272 HydrophobicContact CE1-CB 3.52Å; F260-F272 HydrophobicContact CE1-CG 4.28Å; F260-F272 HydrophobicContact CE2-CB 4.02Å; F260-F272 AromaticContact CE2-CD2 3.49Å; F260-F272 HydrophobicContact CE2-CD2 3.49Å; F260-F272 VanDerWaalsContact CE2-CD2 3.49Å; F260-F272 HydrophobicContact CE2-CE2 4.27Å; F260-F272 HydrophobicContact CE2-CG 4.03Å; F260-F272 HydrophobicContact CG-CB 4.49Å; F260-F272 HydrophobicContact CZ-CB 3.51Å; F260-F272 AromaticContact CZ-CD2 3.7Å; F260-F272 HydrophobicContact CZ-CD2 3.7Å; F260-F272 AromaticContact CZ-CG 3.75Å; F260-F272 HydrophobicContact CZ-CG 3.75Å; F260-F272 PolarHBondContact N-O 2.84Å; F260-F272 PolarHBondContact O-N 3.43Å; T262-F272 HydrophobicContact CG2-CD2 4.02Å; T262-F272 HydrophobicContact CG2-CE2 3.74Å; T262-F272 WeakPolarHBondContact OG1-CE2 3.23Å; R270-F272 HydrophobicContact CB-CD2 4.5Å; R270-F272 HydrophobicContact CB-CE2 3.78Å; R270-F272 HydrophobicContact CB-CZ 4.04Å; F272-R278 WeakPolarHBondContact CA-O 3.31Å; F272-Q279 HydrophobicContact CD1-CB 3.82Å; F272-Q279 HydrophobicContact CD1-CG 4.41Å; F272-Q279 HydrophobicContact CE1-CB 3.63Å; F272-Q279 HydrophobicContact CE1-CG 4.1Å; F272-Q279 HydrophobicContact CZ-CB 4.49Å
273D96.9Very high97Very high34 Ų3434.3 Ų34.318%0.18217%0.167CC..EExtended strand (participates in β ladder)trans-101.3125.2173.3-176.6-44.5000108.3R275 A276 D277 R278 V280D273-R275 VanDerWaalsContact C-N 3.34Å; D273-R275 WeakPolarHBondContact OD1-CA 3.42Å; D273-R275 WeakPolarHBondContact OD1-CB 3.47Å; D273-R275 PolarHBondContact OD1-N 2.84Å; D273-A276 HydrophobicContact CB-CB 4.04Å; D273-A276 PolarHBondContact OD1-N 3.49Å; D273-D277 WeakPolarHBondContact O-CA 3.46Å; D273-D277 PolarHBondContact O-N 3.21Å; D273-R278 PolarHBondContact N-O 3.04Å; D273-R278 PolarHBondContact O-N 3.46Å; D273-V280 HydrophobicContact CB-CG1 3.73Å; D273-V280 HydrophobicContact CB-CG2 4.39Å
274L95.9Very high96.9Very high19 Ų1937.2 Ų37.210%0.09919%0.187CC..THydrogen-bonded Turntrans-69.6-33.2-176.9-63.7177.3000112.1I217 V229 Q239 F241 F253 G257 D258 F260I217-L274 HydrophobicContact CD1-CD1 4.04Å; V229-L274 HydrophobicContact CG2-CD2 3.66Å; Q239-L274 PolarHBondContact NE2-O 3.07Å; F241-L274 HydrophobicContact CE2-CD2 3.93Å; F241-L274 HydrophobicContact CZ-CD2 4.02Å; F253-L274 HydrophobicContact CE1-CD1 4.05Å; G257-L274 WeakPolarHBondContact O-CD1 3.4Å; D258-L274 WeakPolarHBondContact O-CB 3.3Å; D258-L274 PolarHBondContact O-N 3.22Å; F260-L274 HydrophobicContact CD1-CD2 3.69Å; F260-L274 HydrophobicContact CD1-CG 4.28Å; F260-L274 HydrophobicContact CE1-CD2 3.62Å
275R95.5Very high96.7Very high184 Ų18441.8 Ų41.869%0.69421%0.207SC*.THydrogen-bonded Turntrans-79.9-37.5-177.9-56.4179.6-59.1-179.33111.3D258 D273 D277D258-R275 IonicContact OD2-CZ 3.92Å; D258-R275 IonicContact OD2-NE 3.1Å; D258-R275 IonicContact OD2-NH1 3.66Å; D258-R275 PolarHBondContact OD2-NH1 3.04Å; D273-R275 VanDerWaalsContact C-N 3.34Å; D273-R275 WeakPolarHBondContact OD1-CA 3.42Å; D273-R275 WeakPolarHBondContact OD1-CB 3.47Å; D273-R275 PolarHBondContact OD1-N 2.84Å; R275-D277 VanDerWaalsContact C-N 3.3Å
276A95.2Very high96.4Very high43 Ų4346.8 Ų46.836%0.35523%0.234SC..THydrogen-bonded Turntrans-81.5-11.7174.200000113D273 R278D273-A276 HydrophobicContact CB-CB 4.04Å; D273-A276 PolarHBondContact OD1-N 3.49Å; A276-R278 VanDerWaalsContact C-N 3.29Å; A276-R278 HydrophobicContact CB-CG 3.76Å; A276-R278 WeakPolarHBondContact O-CG 3.42Å; A276-R278 PolarHBondContact O-N 3.35Å
277D96.3Very high96.2Very high31 Ų3148.3 Ų48.317%0.16625%0.248CC..THydrogen-bonded Turntrans54.643175.8-166.935.1000112.7R38 Q239 D273 R275R38-D277 WeakPolarHBondContact CD-O 3.46Å; R38-D277 IonicContact CZ-OD1 3.54Å; R38-D277 IonicContact CZ-OD2 3.87Å; R38-D277 PolarHBondContact NE-O 2.78Å; R38-D277 IonicContact NE-OD1 3.86Å; R38-D277 IonicContact NE-OD2 3.18Å; R38-D277 PolarHBondContact NE-OD2 3.15Å; R38-D277 IonicContact NH2-OD1 3.63Å; R38-D277 PolarHBondContact NH2-OD1 3.05Å; R38-D277 IonicContact NH2-OD2 2.84Å; R38-D277 PolarHBondContact NH2-OD2 2.46Å; Q239-D277 PolarHBondContact NE2-OD1 3.03Å; D273-D277 WeakPolarHBondContact O-CA 3.46Å; D273-D277 PolarHBondContact O-N 3.21Å; R275-D277 VanDerWaalsContact C-N 3.3Å
278R95.2Very high95.9Very high70 Ų7048 Ų4826%0.26424%0.244SC..EExtended strand (participates in β ladder)trans-155.9165.1-174.664.4176.8-67130.8-8.2113.7N42 F272 D273 A276 V280N42-R278 VanDerWaalsContact CG-NH2 3.27Å; N42-R278 PolarHBondContact ND2-NH1 2.99Å; N42-R278 PolarHBondContact ND2-NH2 3.44Å; N42-R278 PolarHBondContact OD1-NH1 3.37Å; N42-R278 PolarHBondContact OD1-NH2 2.89Å; N42-R278 VanDerWaalsContact OD1-NH2 3.17Å; F272-R278 WeakPolarHBondContact CA-O 3.31Å; D273-R278 PolarHBondContact N-O 3.04Å; D273-R278 PolarHBondContact O-N 3.46Å; A276-R278 VanDerWaalsContact C-N 3.29Å; A276-R278 HydrophobicContact CB-CG 3.76Å; A276-R278 WeakPolarHBondContact O-CG 3.42Å; A276-R278 PolarHBondContact O-N 3.35Å; R278-V280 HydrophobicContact CG-CG1 4.12Å
279Q96.3Very high95.8Very high51 Ų5153.6 Ų53.624%0.23827%0.273CS..EExtended strand (participates in β ladder)trans-68.5132.7161.3-171.2-177.1-29.500110.1R270 L271 F272 C281R270-Q279 HydrophobicContact CB-CG 4.34Å; L271-Q279 WeakPolarHBondContact O-CA 3.34Å; F272-Q279 HydrophobicContact CD1-CB 3.82Å; F272-Q279 HydrophobicContact CD1-CG 4.41Å; F272-Q279 HydrophobicContact CE1-CB 3.63Å; F272-Q279 HydrophobicContact CE1-CG 4.1Å; F272-Q279 HydrophobicContact CZ-CB 4.49Å; Q279-C281 WeakPolarHBondContact CG-O 2.99Å; Q279-C281 PolarHBondContact NE2-O 2.9Å
280V96.1Very high95.8Very high42 Ų4258.2 Ų58.226%0.25529%0.293SS..EExtended strand (participates in β ladder)trans-114-31178.4-66.40000113I46 L271 D273 R278I46-V280 VanDerWaalsContact CG2-O 3.3Å; I46-V280 WeakPolarHBondContact CG2-O 3.47Å; L271-V280 HydrophobicContact CB-CG2 3.93Å; L271-V280 HydrophobicContact CD2-CG2 3.68Å; L271-V280 HydrophobicContact CG-CG2 3.73Å; L271-V280 WeakPolarHBondContact O-CG2 3.28Å; L271-V280 PolarHBondContact O-N 3.39Å; D273-V280 HydrophobicContact CB-CG1 3.73Å; D273-V280 HydrophobicContact CB-CG2 4.39Å; R278-V280 HydrophobicContact CG-CG1 4.12Å
281C95.3Very high95.8Very high4 Ų458.5 Ų58.53%0.02730%0.297CS..EExtended strand (participates in β ladder)trans-131.3153.3176.5-51.20000111.5I46 R270 L271 Q279 F283 V318 C321I46-C281 WeakPolarHBondContact CG2-SG 3.33Å; R270-C281 WeakPolarHBondContact CA-O 3.35Å; L271-C281 HydrophobicContact CB-CB 3.71Å; L271-C281 HydrophobicContact CD2-CB 4.49Å; L271-C281 PolarHBondContact N-O 2.77Å; L271-C281 VanDerWaalsContact N-O 3.1Å; L271-C281 PolarHBondContact O-N 3.12Å; Q279-C281 WeakPolarHBondContact CG-O 2.99Å; Q279-C281 PolarHBondContact NE2-O 2.9Å; C281-F283 HydrophobicContact CB-CE1 4.09Å; C281-F283 HydrophobicContact CB-CE2 3.9Å; C281-F283 HydrophobicContact CB-CZ 3.61Å; C281-V318 PolarHBondContact SG-O 2.82Å; C281-C321 PolarHBondContact SG-SG 3.41Å
282E96.6Very high95.8Very high93 Ų9358.2 Ų58.244%0.43530%0.296SS..EExtended strand (participates in β ladder)trans-126.8130.3161.4-167.9-173.5134.800108.1R270 S284R270-E282 HydrophobicContact CG-CG 4.34Å; E282-S284 WeakPolarHBondContact OE1-CB 3.42Å; E282-S284 PolarHBondContact OE1-OG 3.3Å
283F96.9Very high95.8Very high1 Ų159.1 Ų59.10%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-111.993.7176.6-48.6-78.2000108C269 L271 C281 L304 W316 V318 C321C269-F283 HydrophobicContact CB-CB 4.06Å; C269-F283 HydrophobicContact CB-CD2 3.74Å; C269-F283 HydrophobicContact CB-CG 4.36Å; C269-F283 PolarHBondContact N-O 3.03Å; C269-F283 PolarHBondContact O-N 2.9Å; L271-F283 HydrophobicContact CB-CE2 4Å; L271-F283 HydrophobicContact CB-CZ 4.35Å; C281-F283 HydrophobicContact CB-CE1 4.09Å; C281-F283 HydrophobicContact CB-CE2 3.9Å; C281-F283 HydrophobicContact CB-CZ 3.61Å; F283-L304 HydrophobicContact CD2-CD2 3.55Å; F283-L304 HydrophobicContact CE2-CD2 3.52Å; F283-L304 HydrophobicContact CG-CD2 4.28Å; F283-L304 HydrophobicContact CZ-CD2 4.26Å; F283-W316 HydrophobicContact CB-CD2 3.76Å; F283-W316 HydrophobicContact CB-CE3 3.89Å; F283-W316 HydrophobicContact CB-CG 4.08Å; F283-W316 HydrophobicContact CB-CZ2 4.43Å; F283-W316 HydrophobicContact CB-CZ3 4.27Å; F283-W316 HydrophobicContact CD1-CB 3.91Å; F283-W316 HydrophobicContact CD1-CD2 4.36Å; F283-W316 HydrophobicContact CD1-CE3 4.27Å; F283-W316 HydrophobicContact CD1-CG 4.22Å; F283-W316 HydrophobicContact CE1-CB 4.37Å; F283-W316 HydrophobicContact CG-CB 4.38Å; F283-W316 HydrophobicContact CG-CD2 4.39Å; F283-W316 HydrophobicContact CG-CG 4.3Å; F283-V318 HydrophobicContact CZ-CB 4.49Å; F283-V318 HydrophobicContact CZ-CG1 4.39Å; F283-C321 HydrophobicContact CE1-CB 4.39Å
284S95.3Very high95.8Very high61 Ų6157.7 Ų57.743%0.42729%0.294SS..  trans-136.1154.1179.6580000110.1E282E282-S284 WeakPolarHBondContact OE1-CB 3.42Å; E282-S284 PolarHBondContact OE1-OG 3.3Å
285K94.6Very high95.9Very high96 Ų9656.9 Ų56.942%0.41729%0.29SS..  trans-154.5136.8173.8-172.5168.5-176.1170.50109S287 I288 W316K285-S287 PolarHBondContact O-N 2.88Å; K285-I288 PolarHBondContact O-N 3.1Å; K285-W316 HydrophobicContact CB-CH2 3.99Å
286N92.5Very high96.1Very high164 Ų16448.7 Ų48.788%0.87726%0.26SS*.THydrogen-bonded Turntrans-54-20.8-177.2-59-3.5000115.2I288N286-I288 VanDerWaalsContact C-N 3.35Å
287S92.5Very high96.2Very high67 Ų6746.9 Ų46.947%0.46924%0.244SC..THydrogen-bonded Turntrans-77.8-16.5175.966.20000114.1K285 R323K285-S287 PolarHBondContact O-N 2.88Å; S287-R323 PolarHBondContact OG-NH1 3.03Å; S287-R323 VanDerWaalsContact OG-NH1 3.07Å
288I93.2Very high96.2Very high10 Ų1046.2 Ų46.25%0.05124%0.242CC..  trans-105.4106.3-178.3-61.6171.2000106.8S267 K285 N286 V308 A314 W316 M326S267-I288 WeakPolarHBondContact CB-O 3.49Å; K285-I288 PolarHBondContact O-N 3.1Å; N286-I288 VanDerWaalsContact C-N 3.35Å; I288-V308 HydrophobicContact CG2-CG1 3.86Å; I288-V308 HydrophobicContact CG2-CG2 4.45Å; I288-A314 HydrophobicContact CD1-CB 4.19Å; I288-W316 HydrophobicContact CD1-CH2 4.1Å; I288-W316 HydrophobicContact CD1-CZ2 3.61Å; I288-M326 HydrophobicContact CD1-SD 4.45Å
289I95.7Very high96.3Very high122 Ų12247.4 Ų47.463%0.62625%0.253SS*.  trans-122.510.2-176.764.5174.6000112.2S267S267-I289 WeakPolarHBondContact OG-CA 3.17Å; S267-I289 PolarHBondContact OG-O 2.85Å
290F97.7Very high96.3Very high98 Ų9849.3 Ų49.343%0.4327%0.272SS..SBendtrans-113.6150.5-177.9-65.4-91.3000110.2S267 V308 D310S267-F290 PolarHBondContact OG-N 2.89Å; S267-F290 PolarHBondContact OG-O 2.67Å; F290-V308 HydrophobicContact CB-CG1 4.05Å; F290-D310 HydrophobicContact CB-CB 4.26Å; F290-D310 HydrophobicContact CD2-CB 3.49Å; F290-D310 VanDerWaalsContact CD2-CB 3.49Å; F290-D310 HydrophobicContact CE2-CB 3.86Å; F290-D310 HydrophobicContact CG-CB 3.9Å
291P97.8Very high96.3Very high27 Ų2747.4 Ų47.418%0.17526%0.261CS..  trans-49.8146.8178.1-36.440.5000115.8D265 V308 G309D265-P291 HydrophobicContact CB-CG 4.41Å; D265-P291 VanDerWaalsContact OD1-CB 3.24Å; D265-P291 WeakPolarHBondContact OD1-CB 3.38Å; P291-V308 CarbonylContact O-C 3.57Å; P291-G309 PolarHBondContact O-N 3.34Å
292I98.3Very high96.3Very high3 Ų349.6 Ų49.62%0.01527%0.269CS..EExtended strand (participates in β ladder)trans-98.6115169.9-55.4-175.4000108N249 S264 S268 C269 I295 A306N249-I292 WeakPolarHBondContact CB-O 3.33Å; N249-I292 PolarHBondContact ND2-O 3.36Å; S264-I292 PolarHBondContact O-N 2.93Å; S268-I292 WeakPolarHBondContact O-CD1 3.34Å; C269-I292 HydrophobicContact CB-CD1 4.36Å; C269-I292 WeakPolarHBondContact SG-CD1 3.45Å; I292-I295 HydrophobicContact CG2-CG2 3.64Å; I292-A306 HydrophobicContact CG2-CB 3.94Å
293N97.8Very high96.3Very high22 Ų2246.5 Ų46.512%0.11826%0.255CS..EExtended strand (participates in β ladder)trans-99.8-22.5-173.9-48.7-85.2000113.2G307 R333 V334N293-G307 PolarHBondContact N-O 3.29Å; N293-R333 WeakPolarHBondContact ND2-CD 3.38Å; N293-R333 VanDerWaalsContact ND2-CG 3.31Å; N293-R333 WeakPolarHBondContact ND2-CG 3.41Å; N293-R333 PolarHBondContact OD1-NH1 3.03Å; N293-V334 WeakPolarHBondContact CB-O 3.48Å; N293-V334 PolarHBondContact ND2-O 2.83Å; N293-V334 VanDerWaalsContact ND2-O 3.14Å
294G97.1Very high96.4Very high4 Ų446.5 Ų46.54%0.04126%0.255CS..EExtended strand (participates in β ladder)trans-146.7140.4-178.800000111A306 G307G294-A306 CarbonylContact O-C 3.53Å; G294-A306 WeakPolarHBondContact O-CA 3.47Å; G294-G307 PolarHBondContact O-N 3.14Å
295I98.4Very high96.5Very high1 Ų143.9 Ų43.91%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-136.4155175.964.8175.2000110A250 R252 A261 I292 L304 M305 A306A250-I295 HydrophobicContact CB-CD1 4.48Å; A250-I295 HydrophobicContact CB-CG1 3.87Å; R252-I295 HydrophobicContact CB-CD1 4.32Å; R252-I295 HydrophobicContact CB-CG1 4.2Å; R252-I295 HydrophobicContact CG-CD1 4.49Å; R252-I295 HydrophobicContact CG-CG1 3.88Å; R252-I295 WeakPolarHBondContact CG-O 3.39Å; A261-I295 VanDerWaalsContact C-CD1 3.42Å; A261-I295 HydrophobicContact CB-CD1 3.88Å; A261-I295 VanDerWaalsContact O-CD1 3.27Å; A261-I295 WeakPolarHBondContact O-CD1 3.16Å; I292-I295 HydrophobicContact CG2-CG2 3.64Å; I295-L304 HydrophobicContact CB-CD1 4.27Å; I295-M305 CarbonylContact C-O 3.6Å; I295-M305 WeakPolarHBondContact CA-O 3.34Å; I295-A306 HydrophobicContact CG2-CB 4.17Å
296D98.5Very high96.7Very high13 Ų1339.3 Ų39.37%0.0722%0.216CC..EExtended strand (participates in β ladder)trans-161.4160.9164.6-15913.6000112.3M305 L337 T339D296-M305 PolarHBondContact N-O 2.8Å; D296-M305 PolarHBondContact O-N 3.31Å; D296-L337 HydrophobicContact CB-CD2 3.52Å; D296-T339 WeakPolarHBondContact OD2-CA 3.23Å; D296-T339 WeakPolarHBondContact OD2-CB 3.45Å; D296-T339 PolarHBondContact OD2-N 3.33Å; D296-T339 PolarHBondContact OD2-OG1 2.92Å
297F98.2Very high97Very high4 Ų431.5 Ų31.52%0.01817%0.174CC..EExtended strand (participates in β ladder)trans-97.4147.9176.9-72.2-81.9000112.5R252 F253 H254 P255 A261 L271 L303 L304 V318 T339R252-F297 HydrophobicContact CB-CD2 4.38Å; R252-F297 HydrophobicContact CB-CE2 4.49Å; F253-F297 WeakPolarHBondContact O-CD2 3.42Å; H254-F297 HydrophobicContact CB-CE2 4.23Å; H254-F297 HydrophobicContact CB-CZ 4.27Å; H254-F297 AromaticContact CD2-CE1 3.94Å; P255-F297 HydrophobicContact CG-CB 4.23Å; A261-F297 HydrophobicContact CB-CE2 3.66Å; A261-F297 HydrophobicContact CB-CZ 3.46Å; A261-F297 VanDerWaalsContact CB-CZ 3.46Å; L271-F297 HydrophobicContact CD1-CE1 4.27Å; L271-F297 HydrophobicContact CD1-CZ 3.66Å; F297-L303 WeakPolarHBondContact CA-O 3.31Å; F297-L304 HydrophobicContact CD1-CB 4.38Å; F297-L304 HydrophobicContact CD1-CD1 4.17Å; F297-L304 HydrophobicContact CD2-CD1 4.46Å; F297-L304 HydrophobicContact CE1-CB 4.26Å; F297-L304 HydrophobicContact CE1-CD1 3.97Å; F297-L304 HydrophobicContact CE2-CD1 4.27Å; F297-L304 HydrophobicContact CG-CD1 4.43Å; F297-L304 HydrophobicContact CZ-CD1 4.04Å; F297-V318 HydrophobicContact CD1-CG2 4.04Å; F297-V318 HydrophobicContact CE1-CG1 4.2Å; F297-V318 HydrophobicContact CE1-CG2 3.72Å; F297-T339 PolarHBondContact O-OG1 2.89Å
298S97.3Very high97.2Very high17 Ų1728.3 Ų28.312%0.11915%0.152CC..  trans-61.4160.8160.661.80000110.9S300 G301 R302 L303S298-S300 PolarHBondContact O-N 2.75Å; S298-S300 VanDerWaalsContact O-N 3.1Å; S298-S300 PolarHBondContact OG-OG 2.93Å; S298-G301 WeakPolarHBondContact O-CA 3.4Å; S298-G301 PolarHBondContact O-N 2.79Å; S298-R302 PolarHBondContact OG-N 3.11Å; S298-L303 PolarHBondContact N-O 2.8Å; S298-L303 PolarHBondContact OG-N 2.85Å; S298-L303 VanDerWaalsContact OG-N 3.07Å
299L96.1Very high97.4Very high95 Ų9528.2 Ų28.250%0.49715%0.153SC..THydrogen-bonded Turntrans-54.1-36.1-179.7-175.566.8000113.9P255 G301P255-L299 WeakPolarHBondContact CB-O 3.36Å; P255-L299 WeakPolarHBondContact CG-O 3.45Å; L299-G301 VanDerWaalsContact C-N 3.29Å; L299-G301 PolarHBondContact O-N 2.91Å
300S95.6Very high97.4Very high91 Ų9124.4 Ų24.464%0.63613%0.134SC*.THydrogen-bonded Turntrans-76.7-11.8176.162.40000114.6S298 R302S298-S300 PolarHBondContact O-N 2.75Å; S298-S300 VanDerWaalsContact O-N 3.1Å; S298-S300 PolarHBondContact OG-OG 2.93Å; S300-R302 PolarHBondContact O-N 2.93Å; S300-R302 WeakPolarHBondContact OG-CB 3.42Å; S300-R302 PolarHBondContact OG-N 2.82Å
301G96.1Very high97.4Very high2 Ų224.6 Ų24.62%0.02113%0.133CC..SBendtrans73.9-0.4-171.800000115.2H254 S298 L299 V318H254-G301 WeakPolarHBondContact NE2-CA 3.45Å; S298-G301 WeakPolarHBondContact O-CA 3.4Å; S298-G301 PolarHBondContact O-N 2.79Å; L299-G301 VanDerWaalsContact C-N 3.29Å; L299-G301 PolarHBondContact O-N 2.91Å; G301-V318 WeakPolarHBondContact O-CG2 3.34Å
302R96.2Very high97.4Very high51 Ų5123.8 Ų23.819%0.19213%0.127CC..  trans-74.7-31-176.9-179.258.7-179.1-77.6-2.5113.7E54 I56 S298 S300 D317 V318E54-R302 PolarHBondContact O-NH2 3.46Å; I56-R302 HydrophobicContact CD1-CG 3.5Å; I56-R302 VanDerWaalsContact CD1-CG 3.5Å; S298-R302 PolarHBondContact OG-N 3.11Å; S300-R302 PolarHBondContact O-N 2.93Å; S300-R302 WeakPolarHBondContact OG-CB 3.42Å; S300-R302 PolarHBondContact OG-N 2.82Å; R302-D317 IonicContact CZ-OD1 2.82Å; R302-D317 IonicContact CZ-OD2 3.22Å; R302-D317 VanDerWaalsContact NE-CG 3.29Å; R302-D317 IonicContact NE-OD1 3.93Å; R302-D317 PolarHBondContact NE-OD1 2.73Å; R302-D317 IonicContact NE-OD2 2.79Å; R302-D317 PolarHBondContact NE-OD2 3.46Å; R302-D317 IonicContact NH2-OD1 2.94Å; R302-D317 IonicContact NH2-OD2 3.71Å; R302-D317 PolarHBondContact NH2-OD2 2.94Å; R302-V318 WeakPolarHBondContact O-CG2 3.48Å; R302-V318 PolarHBondContact O-N 3.26Å
303L97.4Very high97.4Very high28 Ų2823.8 Ų23.815%0.14713%0.127CC..EExtended strand (participates in β ladder)trans-105.7133.5177.5-54.7178.3000109.9I56 L59 F297 S298 I315 W316 I324I56-L303 HydrophobicContact CD1-CD2 3.74Å; L59-L303 HydrophobicContact CD1-CD1 3.94Å; L59-L303 HydrophobicContact CD1-CD2 3.93Å; F297-L303 WeakPolarHBondContact CA-O 3.31Å; S298-L303 PolarHBondContact N-O 2.8Å; S298-L303 PolarHBondContact OG-N 2.85Å; S298-L303 VanDerWaalsContact OG-N 3.07Å; L303-I315 HydrophobicContact CB-CG2 4.3Å; L303-I315 HydrophobicContact CD2-CG2 4.21Å; L303-W316 WeakPolarHBondContact CA-O 3.39Å; L303-I324 HydrophobicContact CD2-CD1 3.33Å
304L98.2Very high97.3Very high0 Ų022.8 Ų22.80%012%0.122CC..EExtended strand (participates in β ladder)trans-109121.3166.2176.770.1000108.3A261 C269 F283 I295 F297 I315 W316 V318A261-L304 HydrophobicContact CB-CD1 3.92Å; A261-L304 HydrophobicContact CB-CD2 4.22Å; C269-L304 HydrophobicContact CB-CD2 3.82Å; F283-L304 HydrophobicContact CD2-CD2 3.55Å; F283-L304 HydrophobicContact CE2-CD2 3.52Å; F283-L304 HydrophobicContact CG-CD2 4.28Å; F283-L304 HydrophobicContact CZ-CD2 4.26Å; I295-L304 HydrophobicContact CB-CD1 4.27Å; F297-L304 HydrophobicContact CD1-CB 4.38Å; F297-L304 HydrophobicContact CD1-CD1 4.17Å; F297-L304 HydrophobicContact CD2-CD1 4.46Å; F297-L304 HydrophobicContact CE1-CB 4.26Å; F297-L304 HydrophobicContact CE1-CD1 3.97Å; F297-L304 HydrophobicContact CE2-CD1 4.27Å; F297-L304 HydrophobicContact CG-CD1 4.43Å; F297-L304 HydrophobicContact CZ-CD1 4.04Å; L304-I315 WeakPolarHBondContact O-CA 3.21Å; L304-W316 HydrophobicContact CB-CB 4.34Å; L304-W316 PolarHBondContact N-O 3.43Å; L304-W316 PolarHBondContact O-N 2.94Å; L304-V318 HydrophobicContact CB-CG2 3.63Å
305M98.3Very high97.4Very high7 Ų722.6 Ų22.63%0.03412%0.12CC..EExtended strand (participates in β ladder)trans-99.9135176.3-65.7163.7-73.900108.6I295 D296 A314 I315 L337 T339 F346I295-M305 CarbonylContact C-O 3.6Å; I295-M305 WeakPolarHBondContact CA-O 3.34Å; D296-M305 PolarHBondContact N-O 2.8Å; D296-M305 PolarHBondContact O-N 3.31Å; M305-A314 CarbonylContact C-O 3.47Å; M305-A314 WeakPolarHBondContact CA-O 3.24Å; M305-I315 HydrophobicContact CG-CD1 4.31Å; M305-I315 HydrophobicContact CG-CG1 4.1Å; M305-L337 HydrophobicContact CB-CD1 3.82Å; M305-L337 HydrophobicContact CB-CD2 3.72Å; M305-L337 HydrophobicContact CB-CG 4.47Å; M305-T339 HydrophobicContact CE-CG2 4.34Å; M305-T339 WeakPolarHBondContact CE-OG1 3.5Å; M305-F346 HydrophobicContact CE-CB 4.34Å; M305-F346 HydrophobicContact CE-CG 4.44Å; M305-F346 HydrophobicContact SD-CB 3.92Å; M305-F346 HydrophobicContact SD-CD1 3.3Å; M305-F346 WeakPolarHBondContact SD-CD1 3.35Å; M305-F346 HydrophobicContact SD-CD2 3.87Å; M305-F346 HydrophobicContact SD-CE1 3.64Å; M305-F346 HydrophobicContact SD-CE2 4.18Å; M305-F346 HydrophobicContact SD-CG 3.41Å; M305-F346 WeakPolarHBondContact SD-CG 3.23Å; M305-F346 HydrophobicContact SD-CZ 4.06Å
306A98.3Very high97.3Very high0 Ų022.8 Ų22.80%012%0.121CC..EExtended strand (participates in β ladder)trans-134.6122-17700000110.5I292 G294 I295 V313 A314I292-A306 HydrophobicContact CG2-CB 3.94Å; G294-A306 CarbonylContact O-C 3.53Å; G294-A306 WeakPolarHBondContact O-CA 3.47Å; I295-A306 HydrophobicContact CG2-CB 4.17Å; A306-V313 CarbonylContact O-C 3.57Å; A306-V313 VanDerWaalsContact O-CA 3.3Å; A306-V313 WeakPolarHBondContact O-CA 3.41Å; A306-A314 HydrophobicContact CB-CB 4.49Å; A306-A314 PolarHBondContact N-O 2.94Å; A306-A314 PolarHBondContact O-N 3.2Å
307G98Very high97.2Very high0 Ų022.2 Ų22.20%012%0.118CC..EExtended strand (participates in β ladder)trans-83.8116.3173.200000110.9N293 G294N293-G307 PolarHBondContact N-O 3.29Å; G294-G307 PolarHBondContact O-N 3.14Å
308V97.4Very high97.2Very high0 Ų022.1 Ų22.10%012%0.117CC..EExtended strand (participates in β ladder)trans-100.3151.1-171.2-174.40000110.5I288 F290 P291 D310 Y311 T312 A314I288-V308 HydrophobicContact CG2-CG1 3.86Å; I288-V308 HydrophobicContact CG2-CG2 4.45Å; F290-V308 HydrophobicContact CB-CG1 4.05Å; P291-V308 CarbonylContact O-C 3.57Å; V308-D310 WeakPolarHBondContact CB-OD1 3.46Å; V308-D310 HydrophobicContact CG1-CB 4.35Å; V308-D310 WeakPolarHBondContact CG1-OD1 3.25Å; V308-D310 PolarHBondContact O-N 2.61Å; V308-Y311 PolarHBondContact O-N 3.36Å; V308-Y311 VanDerWaalsContact O-N 3.14Å; V308-T312 PolarHBondContact N-O 2.75Å; V308-A314 HydrophobicContact CG2-CB 4.22Å
309G96.4Very high97.1Very high7 Ų724 Ų247%0.07213%0.126CC..THydrogen-bonded Turntrans-64.7-14.3179.300000114.7P291 Y311P291-G309 PolarHBondContact O-N 3.34Å; G309-Y311 VanDerWaalsContact O-CD1 3.3Å; G309-Y311 WeakPolarHBondContact O-CD1 3.47Å; G309-Y311 WeakPolarHBondContact O-CE1 3.39Å; G309-Y311 PolarHBondContact O-N 2.96Å
310D96.2Very high96.9Very high42 Ų4221.4 Ų21.423%0.22511%0.111CC..THydrogen-bonded Turntrans-86.512.5173.770.3-4.8000113.7F290 V308 T312F290-D310 HydrophobicContact CB-CB 4.26Å; F290-D310 HydrophobicContact CD2-CB 3.49Å; F290-D310 VanDerWaalsContact CD2-CB 3.49Å; F290-D310 HydrophobicContact CE2-CB 3.86Å; F290-D310 HydrophobicContact CG-CB 3.9Å; V308-D310 WeakPolarHBondContact CB-OD1 3.46Å; V308-D310 HydrophobicContact CG1-CB 4.35Å; V308-D310 WeakPolarHBondContact CG1-OD1 3.25Å; V308-D310 PolarHBondContact O-N 2.61Å; D310-T312 VanDerWaalsContact CG-OG1 3.3Å; D310-T312 PolarHBondContact O-N 3.32Å; D310-T312 WeakPolarHBondContact OD1-CB 3.46Å; D310-T312 WeakPolarHBondContact OD1-CG2 3.45Å; D310-T312 PolarHBondContact OD1-N 3.41Å; D310-T312 VanDerWaalsContact OD1-N 3.07Å; D310-T312 PolarHBondContact OD1-OG1 2.84Å; D310-T312 PolarHBondContact OD2-OG1 3.41Å
311Y97.8Very high96.8Very high103 Ų10318.6 Ų18.640%0.4049%0.09SC..SBendtrans80.33.4174.1-34.3-26000113.2V308 G309 H330 N332V308-Y311 PolarHBondContact O-N 3.36Å; V308-Y311 VanDerWaalsContact O-N 3.14Å; G309-Y311 VanDerWaalsContact O-CD1 3.3Å; G309-Y311 WeakPolarHBondContact O-CD1 3.47Å; G309-Y311 WeakPolarHBondContact O-CE1 3.39Å; G309-Y311 PolarHBondContact O-N 2.96Å; Y311-H330 WeakPolarHBondContact CB-O 3.23Å; Y311-H330 WeakPolarHBondContact O-CB 3.48Å; Y311-N332 WeakPolarHBondContact CB-O 3.46Å; Y311-N332 VanDerWaalsContact CD1-CA 3.41Å; Y311-N332 VanDerWaalsContact CG-C 3.41Å
312T97.7Very high96.7Very high10 Ų1022 Ų226%0.06110%0.103CC..  trans-97.7167.4-179.572.30000112.1V308 D310 M326 L327 Y328V308-T312 PolarHBondContact N-O 2.75Å; D310-T312 VanDerWaalsContact CG-OG1 3.3Å; D310-T312 PolarHBondContact O-N 3.32Å; D310-T312 WeakPolarHBondContact OD1-CB 3.46Å; D310-T312 WeakPolarHBondContact OD1-CG2 3.45Å; D310-T312 PolarHBondContact OD1-N 3.41Å; D310-T312 VanDerWaalsContact OD1-N 3.07Å; D310-T312 PolarHBondContact OD1-OG1 2.84Å; D310-T312 PolarHBondContact OD2-OG1 3.41Å; T312-M326 HydrophobicContact CG2-CE 4.2Å; T312-M326 WeakPolarHBondContact OG1-CE 3.35Å; T312-L327 WeakPolarHBondContact CA-O 3.09Å; T312-Y328 HydrophobicContact CG2-CD1 3.66Å; T312-Y328 HydrophobicContact CG2-CE1 3.56Å
313V97.9Very high96.6Very high2 Ų222.7 Ų22.71%0.01211%0.106CC..EExtended strand (participates in β ladder)trans-120.2118.1170.4-175.80000108.3A306 M326 L327 V334 L337 F346 T348A306-V313 CarbonylContact O-C 3.57Å; A306-V313 VanDerWaalsContact O-CA 3.3Å; A306-V313 WeakPolarHBondContact O-CA 3.41Å; V313-M326 CarbonylContact O-C 3.49Å; V313-M326 WeakPolarHBondContact O-CA 3.36Å; V313-L327 HydrophobicContact CB-CB 4.17Å; V313-L327 HydrophobicContact CB-CD1 4.49Å; V313-L327 PolarHBondContact N-O 2.84Å; V313-L327 PolarHBondContact O-N 2.82Å; V313-V334 HydrophobicContact CG2-CG2 4.24Å; V313-L337 HydrophobicContact CG1-CD1 3.65Å; V313-F346 HydrophobicContact CG1-CE2 4.32Å; V313-T348 HydrophobicContact CG2-CG2 3.89Å
314A97.3Very high96.5Very high1 Ų122.9 Ų22.91%0.00811%0.107CC..EExtended strand (participates in β ladder)trans-89.5136.4175.200000110.5I288 M305 A306 V308 W316 M326I288-A314 HydrophobicContact CD1-CB 4.19Å; M305-A314 CarbonylContact C-O 3.47Å; M305-A314 WeakPolarHBondContact CA-O 3.24Å; A306-A314 HydrophobicContact CB-CB 4.49Å; A306-A314 PolarHBondContact N-O 2.94Å; A306-A314 PolarHBondContact O-N 3.2Å; V308-A314 HydrophobicContact CG2-CB 4.22Å; A314-W316 HydrophobicContact CB-CZ2 4.26Å; A314-M326 VanDerWaalsContact CA-SD 3.55Å; A314-M326 HydrophobicContact CB-CE 3.97Å; A314-M326 HydrophobicContact CB-SD 3.51Å; A314-M326 VanDerWaalsContact CB-SD 3.51Å
315I97.5Very high96.3Very high0 Ų024.1 Ų24.10%012%0.115CC..EExtended strand (participates in β ladder)trans-116.9126.5174.3-57.1-173.2000109.1L59 I61 L303 L304 M305 R323 I324 C325 L327 F346L59-I315 HydrophobicContact CD1-CG2 4.22Å; I61-I315 HydrophobicContact CD1-CD1 3.36Å; L303-I315 HydrophobicContact CB-CG2 4.3Å; L303-I315 HydrophobicContact CD2-CG2 4.21Å; L304-I315 WeakPolarHBondContact O-CA 3.21Å; M305-I315 HydrophobicContact CG-CD1 4.31Å; M305-I315 HydrophobicContact CG-CG1 4.1Å; I315-R323 CarbonylContact O-C 3.57Å; I315-I324 HydrophobicContact CG2-CD1 4.43Å; I315-I324 PolarHBondContact O-N 3.37Å; I315-C325 PolarHBondContact N-O 3.07Å; I315-C325 PolarHBondContact O-N 3Å; I315-L327 HydrophobicContact CD1-CD1 3.86Å; I315-L327 HydrophobicContact CD1-CG 4.24Å; I315-F346 HydrophobicContact CD1-CZ 4.42Å
316W97.1Very high96.2Very high6 Ų625.1 Ų25.12%0.02312%0.12CC..EExtended strand (participates in β ladder)trans-116.4144.4-174.7-55.793.1000111.6F283 K285 I288 L303 L304 A314 Y322 R323F283-W316 HydrophobicContact CB-CD2 3.76Å; F283-W316 HydrophobicContact CB-CE3 3.89Å; F283-W316 HydrophobicContact CB-CG 4.08Å; F283-W316 HydrophobicContact CB-CZ2 4.43Å; F283-W316 HydrophobicContact CB-CZ3 4.27Å; F283-W316 HydrophobicContact CD1-CB 3.91Å; F283-W316 HydrophobicContact CD1-CD2 4.36Å; F283-W316 HydrophobicContact CD1-CE3 4.27Å; F283-W316 HydrophobicContact CD1-CG 4.22Å; F283-W316 HydrophobicContact CE1-CB 4.37Å; F283-W316 HydrophobicContact CG-CB 4.38Å; F283-W316 HydrophobicContact CG-CD2 4.39Å; F283-W316 HydrophobicContact CG-CG 4.3Å; K285-W316 HydrophobicContact CB-CH2 3.99Å; I288-W316 HydrophobicContact CD1-CH2 4.1Å; I288-W316 HydrophobicContact CD1-CZ2 3.61Å; L303-W316 WeakPolarHBondContact CA-O 3.39Å; L304-W316 HydrophobicContact CB-CB 4.34Å; L304-W316 PolarHBondContact N-O 3.43Å; L304-W316 PolarHBondContact O-N 2.94Å; A314-W316 HydrophobicContact CB-CZ2 4.26Å; W316-Y322 WeakPolarHBondContact CA-O 3.41Å; W316-R323 HydrophobicContact CD2-CB 4.21Å; W316-R323 HydrophobicContact CD2-CG 4.29Å; W316-R323 VanDerWaalsContact CE3-CA 3.45Å; W316-R323 HydrophobicContact CE3-CB 3.63Å; W316-R323 HydrophobicContact CE3-CG 4.2Å; W316-R323 VanDerWaalsContact CE3-N 3.29Å; W316-R323 HydrophobicContact CH2-CB 3.93Å; W316-R323 HydrophobicContact CH2-CG 4.23Å; W316-R323 HydrophobicContact CZ2-CB 4.47Å; W316-R323 HydrophobicContact CZ2-CG 4.32Å; W316-R323 HydrophobicContact CZ3-CB 3.49Å; W316-R323 VanDerWaalsContact CZ3-CB 3.49Å; W316-R323 HydrophobicContact CZ3-CG 4.19Å
317D96.7Very high96.1Very high0 Ų025.8 Ų25.80%012%0.123CC..EExtended strand (participates in β ladder)trans-79.3113.1163.8-170.8-38.7000108.5R302 L319 K320 C321 Y322 I324R302-D317 IonicContact CZ-OD1 2.82Å; R302-D317 IonicContact CZ-OD2 3.22Å; R302-D317 VanDerWaalsContact NE-CG 3.29Å; R302-D317 IonicContact NE-OD1 3.93Å; R302-D317 PolarHBondContact NE-OD1 2.73Å; R302-D317 IonicContact NE-OD2 2.79Å; R302-D317 PolarHBondContact NE-OD2 3.46Å; R302-D317 IonicContact NH2-OD1 2.94Å; R302-D317 IonicContact NH2-OD2 3.71Å; R302-D317 PolarHBondContact NH2-OD2 2.94Å; D317-L319 VanDerWaalsContact C-N 3.27Å; D317-L319 PolarHBondContact O-N 2.6Å; D317-L319 PolarHBondContact OD1-N 2.72Å; D317-K320 HydrophobicContact CB-CB 4.21Å; D317-K320 PolarHBondContact OD1-N 2.71Å; D317-K320 VanDerWaalsContact OD1-N 3.09Å; D317-C321 WeakPolarHBondContact O-CA 3.36Å; D317-C321 PolarHBondContact O-N 2.91Å; D317-Y322 HydrophobicContact CB-CD1 4.2Å; D317-Y322 HydrophobicContact CB-CE1 3.89Å; D317-Y322 PolarHBondContact N-O 3.1Å; D317-I324 HydrophobicContact CB-CD1 3.89Å; D317-I324 HydrophobicContact CB-CG1 4.03Å
318V96.8Very high96.1Very high2 Ų233.7 Ų33.71%0.01215%0.154CC..THydrogen-bonded Turntrans-63.3-35.1-174.5174.50000112.2L271 C281 F283 F297 G301 R302 L304L271-V318 HydrophobicContact CD2-CG1 3.74Å; C281-V318 PolarHBondContact SG-O 2.82Å; F283-V318 HydrophobicContact CZ-CB 4.49Å; F283-V318 HydrophobicContact CZ-CG1 4.39Å; F297-V318 HydrophobicContact CD1-CG2 4.04Å; F297-V318 HydrophobicContact CE1-CG1 4.2Å; F297-V318 HydrophobicContact CE1-CG2 3.72Å; G301-V318 WeakPolarHBondContact O-CG2 3.34Å; R302-V318 WeakPolarHBondContact O-CG2 3.48Å; R302-V318 PolarHBondContact O-N 3.26Å; L304-V318 HydrophobicContact CB-CG2 3.63Å
319L95.2Very high96Very high57 Ų5735.1 Ų35.130%0.29817%0.169SC..THydrogen-bonded Turntrans-86-40.8-174.5-59.2178.2000111.2I46 A50 L53 D317I46-L319 HydrophobicContact CD1-CD2 4.18Å; A50-L319 HydrophobicContact CB-CB 3.99Å; A50-L319 WeakPolarHBondContact CB-O 3.3Å; L53-L319 HydrophobicContact CD1-CB 4.17Å; L53-L319 HydrophobicContact CD1-CD1 3.43Å; L53-L319 VanDerWaalsContact CD1-CD1 3.43Å; L53-L319 HydrophobicContact CD1-CG 4.42Å; D317-L319 VanDerWaalsContact C-N 3.27Å; D317-L319 PolarHBondContact O-N 2.6Å; D317-L319 PolarHBondContact OD1-N 2.72Å
320K93.7Very high96.1Very high41 Ų4135.4 Ų35.418%0.17817%0.169CC..THydrogen-bonded Turntrans-89.4-8-179.3-68.9-169.5164.5690114.5A50 L53 E54 P55 D317 Y322A50-K320 HydrophobicContact CB-CG 4.11Å; A50-K320 PolarHBondContact O-NZ 3.03Å; L53-K320 VanDerWaalsContact CB-NZ 3.35Å; L53-K320 VanDerWaalsContact O-CE 3.31Å; L53-K320 WeakPolarHBondContact O-CE 3.44Å; L53-K320 PolarHBondContact O-NZ 3.09Å; E54-K320 PolarHBondContact O-NZ 3.24Å; P55-K320 HydrophobicContact CB-CD 4.38Å; D317-K320 HydrophobicContact CB-CB 4.21Å; D317-K320 PolarHBondContact OD1-N 2.71Å; D317-K320 VanDerWaalsContact OD1-N 3.09Å; K320-Y322 VanDerWaalsContact C-N 3.3Å; K320-Y322 HydrophobicContact CB-CD1 3.44Å; K320-Y322 VanDerWaalsContact CB-CD1 3.44Å; K320-Y322 HydrophobicContact CB-CE1 3.45Å; K320-Y322 VanDerWaalsContact CB-CE1 3.45Å; K320-Y322 HydrophobicContact CD-CD1 4.27Å; K320-Y322 HydrophobicContact CD-CE1 3.56Å; K320-Y322 HydrophobicContact CG-CE1 4.13Å; K320-Y322 PolarHBondContact O-N 3.15Å
321C93.1Very high96.1Very high31 Ų3140.8 Ų40.821%0.20919%0.193CC..THydrogen-bonded Turntrans58.433.2176.7-53.50000114.8T47 C281 F283 D317T47-C321 HydrophobicContact CG2-CB 4.04Å; C281-C321 PolarHBondContact SG-SG 3.41Å; F283-C321 HydrophobicContact CE1-CB 4.39Å; D317-C321 WeakPolarHBondContact O-CA 3.36Å; D317-C321 PolarHBondContact O-N 2.91Å
322Y92.5Very high96.1Very high75 Ų7538.4 Ų38.429%0.29419%0.187SC..EExtended strand (participates in β ladder)trans-123.8156.1173.374.7-90.9000112I56 W316 D317 K320 I324I56-Y322 PolarHBondContact N-OH 3.28Å; I56-Y322 VanDerWaalsContact N-OH 3.15Å; I56-Y322 PolarHBondContact O-OH 3.1Å; I56-Y322 VanDerWaalsContact O-OH 3.05Å; W316-Y322 WeakPolarHBondContact CA-O 3.41Å; D317-Y322 HydrophobicContact CB-CD1 4.2Å; D317-Y322 HydrophobicContact CB-CE1 3.89Å; D317-Y322 PolarHBondContact N-O 3.1Å; K320-Y322 VanDerWaalsContact C-N 3.3Å; K320-Y322 HydrophobicContact CB-CD1 3.44Å; K320-Y322 VanDerWaalsContact CB-CD1 3.44Å; K320-Y322 HydrophobicContact CB-CE1 3.45Å; K320-Y322 VanDerWaalsContact CB-CE1 3.45Å; K320-Y322 HydrophobicContact CD-CD1 4.27Å; K320-Y322 HydrophobicContact CD-CE1 3.56Å; K320-Y322 HydrophobicContact CG-CE1 4.13Å; K320-Y322 PolarHBondContact O-N 3.15Å; Y322-I324 HydrophobicContact CE2-CG1 3.88Å; Y322-I324 PolarHBondContact O-N 2.65Å
323R95.1Very high96.1Very high64 Ų6441.7 Ų41.724%0.24220%0.198CC..EExtended strand (participates in β ladder)trans-76.8118.6177.4-163.3179.876.6-176.9-3.7110.7S287 I315 W316 M326S287-R323 PolarHBondContact OG-NH1 3.03Å; S287-R323 VanDerWaalsContact OG-NH1 3.07Å; I315-R323 CarbonylContact O-C 3.57Å; W316-R323 HydrophobicContact CD2-CB 4.21Å; W316-R323 HydrophobicContact CD2-CG 4.29Å; W316-R323 VanDerWaalsContact CE3-CA 3.45Å; W316-R323 HydrophobicContact CE3-CB 3.63Å; W316-R323 HydrophobicContact CE3-CG 4.2Å; W316-R323 VanDerWaalsContact CE3-N 3.29Å; W316-R323 HydrophobicContact CH2-CB 3.93Å; W316-R323 HydrophobicContact CH2-CG 4.23Å; W316-R323 HydrophobicContact CZ2-CB 4.47Å; W316-R323 HydrophobicContact CZ2-CG 4.32Å; W316-R323 HydrophobicContact CZ3-CB 3.49Å; W316-R323 VanDerWaalsContact CZ3-CB 3.49Å; W316-R323 HydrophobicContact CZ3-CG 4.19Å; R323-M326 WeakPolarHBondContact CD-SD 3.5Å; R323-M326 HydrophobicContact CG-SD 4.35Å
324I95.1Very high96.1Very high32 Ų3241.6 Ų41.616%0.16420%0.197CC..EExtended strand (participates in β ladder)trans-77.4-53.9178.4-59.3163.9000110.2I56 L59 L303 I315 D317 Y322I56-I324 HydrophobicContact CB-CD1 4.05Å; I56-I324 HydrophobicContact CD1-CD1 4.09Å; I56-I324 HydrophobicContact CG2-CD1 4.09Å; I56-I324 HydrophobicContact CG2-CG2 4.38Å; L59-I324 HydrophobicContact CB-CG2 4.31Å; L59-I324 HydrophobicContact CD1-CB 4.35Å; L59-I324 HydrophobicContact CD1-CD1 4.03Å; L59-I324 HydrophobicContact CD1-CG2 3.69Å; L59-I324 HydrophobicContact CG-CG2 4Å; L303-I324 HydrophobicContact CD2-CD1 3.33Å; I315-I324 HydrophobicContact CG2-CD1 4.43Å; I315-I324 PolarHBondContact O-N 3.37Å; D317-I324 HydrophobicContact CB-CD1 3.89Å; D317-I324 HydrophobicContact CB-CG1 4.03Å; Y322-I324 HydrophobicContact CE2-CG1 3.88Å; Y322-I324 PolarHBondContact O-N 2.65Å
325C94.7Very high96.1Very high27 Ų2742.3 Ų42.318%0.18220%0.203CC..EExtended strand (participates in β ladder)trans-152.2171.5179.765.30000112.4I315I315-C325 PolarHBondContact N-O 3.07Å; I315-C325 PolarHBondContact O-N 3Å
326M95.3Very high96.1Very high27 Ų2742.8 Ų42.813%0.13321%0.206CC..EExtended strand (participates in β ladder)trans-122.5135.8170.4-67.1-60.6-60.600108I288 T312 V313 A314 R323 Y328I288-M326 HydrophobicContact CD1-SD 4.45Å; T312-M326 HydrophobicContact CG2-CE 4.2Å; T312-M326 WeakPolarHBondContact OG1-CE 3.35Å; V313-M326 CarbonylContact O-C 3.49Å; V313-M326 WeakPolarHBondContact O-CA 3.36Å; A314-M326 VanDerWaalsContact CA-SD 3.55Å; A314-M326 HydrophobicContact CB-CE 3.97Å; A314-M326 HydrophobicContact CB-SD 3.51Å; A314-M326 VanDerWaalsContact CB-SD 3.51Å; R323-M326 WeakPolarHBondContact CD-SD 3.5Å; R323-M326 HydrophobicContact CG-SD 4.35Å; M326-Y328 HydrophobicContact CB-CE2 3.76Å
327L97Very high96.2Very high14 Ų1442.5 Ų42.57%0.07321%0.205CC..EExtended strand (participates in β ladder)trans-104.9137.8173.6-49.8177.6000109.6I61 T312 V313 I315 F346 W358I61-L327 HydrophobicContact CB-CD1 4.33Å; I61-L327 HydrophobicContact CB-CD2 4.12Å; I61-L327 HydrophobicContact CG2-CD1 3.76Å; I61-L327 HydrophobicContact CG2-CD2 4.33Å; T312-L327 WeakPolarHBondContact CA-O 3.09Å; V313-L327 HydrophobicContact CB-CB 4.17Å; V313-L327 HydrophobicContact CB-CD1 4.49Å; V313-L327 PolarHBondContact N-O 2.84Å; V313-L327 PolarHBondContact O-N 2.82Å; I315-L327 HydrophobicContact CD1-CD1 3.86Å; I315-L327 HydrophobicContact CD1-CG 4.24Å; L327-F346 HydrophobicContact CD1-CE1 4.49Å; L327-F346 HydrophobicContact CD1-CE2 4.27Å; L327-F346 HydrophobicContact CD1-CZ 3.52Å; L327-W358 HydrophobicContact CB-CE3 4.41Å; L327-W358 HydrophobicContact CB-CH2 4.28Å; L327-W358 HydrophobicContact CB-CZ3 4.07Å; L327-W358 HydrophobicContact CD1-CD2 4.18Å; L327-W358 HydrophobicContact CD1-CE3 3.95Å; L327-W358 HydrophobicContact CD1-CZ3 4.43Å
328Y97Very high96.2Very high166 Ų16643.5 Ų43.565%0.65121%0.21SC*.  trans-120.1141.8-179.7-57.9-89.1000108.9T312 M326 W358T312-Y328 HydrophobicContact CG2-CD1 3.66Å; T312-Y328 HydrophobicContact CG2-CE1 3.56Å; M326-Y328 HydrophobicContact CB-CE2 3.76Å; Y328-W358 WeakPolarHBondContact O-CH2 3.4Å
329G95.7Very high96.3Very high30 Ų3043.8 Ų43.831%0.30921%0.212SC..  trans172.2-43.317600000112.1R356G329-R356 PolarHBondContact O-NH1 3.31Å; G329-R356 PolarHBondContact O-NH2 2.89Å
330H98.1Very high96.4Very high14 Ų1441.1 Ų41.17%0.06520%0.198CC..  trans-66.2143.8178.7-73.9-72.4000113Y311 V334 T348 S350 D352 R356Y311-H330 WeakPolarHBondContact CB-O 3.23Å; Y311-H330 WeakPolarHBondContact O-CB 3.48Å; H330-V334 HydrophobicContact CB-CG2 4.27Å; H330-T348 PolarHBondContact NE2-OG1 2.77Å; H330-S350 WeakPolarHBondContact CE1-CB 3.5Å; H330-S350 WeakPolarHBondContact ND1-CB 3.44Å; H330-S350 PolarHBondContact ND1-OG 3.44Å; H330-D352 WeakPolarHBondContact CA-OD2 3.49Å; H330-D352 IonicContact CE1-OD1 2.6Å; H330-D352 IonicContact CE1-OD2 3.55Å; H330-D352 IonicContact CG-OD2 3.45Å; H330-D352 IonicContact ND1-OD1 2.72Å; H330-D352 PolarHBondContact ND1-OD1 3.22Å; H330-D352 IonicContact ND1-OD2 3.75Å; H330-D352 PolarHBondContact ND1-OD2 2.77Å; H330-R356 PolarHBondContact CE1-NH1 3.16Å; H330-R356 VanDerWaalsContact CG-NH1 3.27Å; H330-R356 PolarHBondContact ND1-NH1 2.94Å
331E97.6Very high96.4Very high155 Ų15541.1 Ų41.172%0.72420%0.202SC*.SBendtrans-100.31.5-179.5-63.2177.6-173.400111.5D352E331-D352 HydrophobicContact CB-CB 4.12Å; E331-D352 PolarHBondContact N-OD2 3.07Å; E331-D352 VanDerWaalsContact N-OD2 3.15Å
332N97.8Very high96.5Very high52 Ų5242 Ų4228%0.27820%0.204SC..SBendtrans-156.9175.1177.2-148.5-38.4000110.3Y311 V334 S350 W351 D352Y311-N332 WeakPolarHBondContact CB-O 3.46Å; Y311-N332 VanDerWaalsContact CD1-CA 3.41Å; Y311-N332 VanDerWaalsContact CG-C 3.41Å; N332-V334 PolarHBondContact O-N 2.79Å; N332-S350 PolarHBondContact O-OG 2.67Å; N332-W351 HydrophobicContact CB-CB 3.83Å; N332-D352 HydrophobicContact CB-CB 4Å
333R97.1Very high96.7Very high79 Ų7939.9 Ų39.930%0.29821%0.205SC..  trans-45128.5-176.2177.9-179.5-66.7-160.97.6111.8N293 S335 S350 W351N293-R333 WeakPolarHBondContact ND2-CD 3.38Å; N293-R333 VanDerWaalsContact ND2-CG 3.31Å; N293-R333 WeakPolarHBondContact ND2-CG 3.41Å; N293-R333 PolarHBondContact OD1-NH1 3.03Å; R333-S335 PolarHBondContact O-N 3.11Å; R333-S350 CarbonylContact O-C 3.6Å; R333-S350 WeakPolarHBondContact O-CA 3.4Å; R333-S350 WeakPolarHBondContact O-CB 3.41Å; R333-S350 PolarHBondContact O-OG 3.27Å; R333-W351 HydrophobicContact CB-CB 4.4Å; R333-W351 HydrophobicContact CB-CD2 4.08Å; R333-W351 HydrophobicContact CB-CE3 4.27Å; R333-W351 HydrophobicContact CB-CG 4.14Å; R333-W351 PolarHBondContact O-N 2.82Å
334V98.2Very high96.8Very high0 Ų041.1 Ų41.10%022%0.22CC..EExtended strand (participates in β ladder)trans-75114.2166.7-177.90000107.1N293 V313 H330 N332 T348 A349N293-V334 WeakPolarHBondContact CB-O 3.48Å; N293-V334 PolarHBondContact ND2-O 2.83Å; N293-V334 VanDerWaalsContact ND2-O 3.14Å; V313-V334 HydrophobicContact CG2-CG2 4.24Å; H330-V334 HydrophobicContact CB-CG2 4.27Å; N332-V334 PolarHBondContact O-N 2.79Å; V334-T348 HydrophobicContact CG1-CG2 4.4Å; V334-A349 CarbonylContact C-O 3.55Å; V334-A349 WeakPolarHBondContact CA-O 3.17Å
335S97.7Very high96.9Very high17 Ų1740.5 Ų40.512%0.11922%0.219CC..EExtended strand (participates in β ladder)trans-92.6-35.3-172.748.50000113V74 R333 A349V74-S335 WeakPolarHBondContact O-CB 2.94Å; V74-S335 PolarHBondContact O-OG 3.31Å; R333-S335 PolarHBondContact O-N 3.11Å; S335-A349 PolarHBondContact N-O 2.61Å; S335-A349 PolarHBondContact OG-O 2.88Å; S335-A349 VanDerWaalsContact OG-O 3.13Å
336S97.1Very high97Very high10 Ų1039.7 Ų39.77%0.0721%0.212CC..EExtended strand (participates in β ladder)trans-147151.3179.3-177.80000110.6T348 A349S336-T348 WeakPolarHBondContact O-CA 3.43Å; S336-A349 PolarHBondContact O-N 3.41Å
337L97.8Very high97.2Very high0 Ų038.4 Ų38.40%021%0.206CC..EExtended strand (participates in β ladder)trans-140.7135.6178.8-173152.5000109D296 M305 V313 F346 C347 T348D296-L337 HydrophobicContact CB-CD2 3.52Å; M305-L337 HydrophobicContact CB-CD1 3.82Å; M305-L337 HydrophobicContact CB-CD2 3.72Å; M305-L337 HydrophobicContact CB-CG 4.47Å; V313-L337 HydrophobicContact CG1-CD1 3.65Å; L337-F346 HydrophobicContact CD1-CD2 4.27Å; L337-F346 HydrophobicContact CD1-CE2 4.43Å; L337-F346 HydrophobicContact CD2-CD2 4.46Å; L337-F346 HydrophobicContact CG-CD2 4.29Å; L337-C347 WeakPolarHBondContact CA-O 3.15Å; L337-T348 HydrophobicContact CB-CG2 4.43Å; L337-T348 HydrophobicContact CD1-CG2 3.73Å; L337-T348 HydrophobicContact CG-CG2 3.91Å
338M97.9Very high97.2Very high20 Ų2037.7 Ų37.710%0.09920%0.202CC..EExtended strand (participates in β ladder)trans-151139.7172-169.5178.4-76.700112.8M77 D78 W79 F346 C347M77-M338 HydrophobicContact SD-CB 4.02Å; D78-M338 WeakPolarHBondContact OD1-CE 3.24Å; W79-M338 HydrophobicContact CB-SD 4.32Å; W79-M338 PolarHBondContact NE1-O 3.19Å; M338-F346 CarbonylContact O-C 3.5Å; M338-F346 WeakPolarHBondContact O-CA 3.02Å; M338-C347 PolarHBondContact N-O 2.8Å; M338-C347 PolarHBondContact O-N 2.88Å
339T97.8Very high97.3Very high9 Ų929.8 Ų29.86%0.05517%0.171CC..EExtended strand (participates in β ladder)trans-80.5141.5175.5-45.10000110.3D296 F297 M305 S345 F346D296-T339 WeakPolarHBondContact OD2-CA 3.23Å; D296-T339 WeakPolarHBondContact OD2-CB 3.45Å; D296-T339 PolarHBondContact OD2-N 3.33Å; D296-T339 PolarHBondContact OD2-OG1 2.92Å; F297-T339 PolarHBondContact O-OG1 2.89Å; M305-T339 HydrophobicContact CE-CG2 4.34Å; M305-T339 WeakPolarHBondContact CE-OG1 3.5Å; T339-S345 WeakPolarHBondContact CG2-O 3.33Å; T339-F346 HydrophobicContact CG2-CB 4.47Å
340S97.2Very high97.4Very high1 Ų128.4 Ų28.41%0.00716%0.156CC..  trans-59149.4172.863.80000110.4D342 G343 T344 S345S340-D342 WeakPolarHBondContact CB-OD1 3.38Å; S340-D342 PolarHBondContact O-N 2.95Å; S340-D342 PolarHBondContact OG-OD1 3.21Å; S340-G343 PolarHBondContact O-N 3.49Å; S340-T344 PolarHBondContact OG-N 3.47Å; S340-T344 PolarHBondContact OG-OG1 3.09Å; S340-S345 PolarHBondContact N-O 3.42Å; S340-S345 PolarHBondContact OG-N 3.45Å; S340-S345 VanDerWaalsContact OG-N 3.1Å; S340-S345 PolarHBondContact OG-O 2.8Å; S340-S345 VanDerWaalsContact OG-O 3.09Å; S340-S345 PolarHBondContact OG-OG 2.77Å
341P95.1Very high97.4Very high41 Ų4130.6 Ų30.627%0.26616%0.164SC..THydrogen-bonded Turntrans-55.2-27.7-178.1-27.432000114.6W79 C80 K83W79-P341 HydrophobicContact CB-CG 4.25Å; C80-P341 WeakPolarHBondContact O-CG 3.42Å; K83-P341 HydrophobicContact CG-CB 4.19Å; K83-P341 HydrophobicContact CG-CG 4.48Å
342D95.7Very high97.5Very high48 Ų4824.6 Ų24.626%0.25714%0.137SC..THydrogen-bonded Turntrans-92.8-1.7177.465.4-1.5000114.6K83 S340 T344K83-D342 HydrophobicContact CD-CB 3.8Å; K83-D342 HydrophobicContact CG-CB 3.96Å; S340-D342 WeakPolarHBondContact CB-OD1 3.38Å; S340-D342 PolarHBondContact O-N 2.95Å; S340-D342 PolarHBondContact OG-OD1 3.21Å; D342-T344 HydrophobicContact CB-CG2 4.33Å; D342-T344 VanDerWaalsContact CG-CG2 3.49Å; D342-T344 VanDerWaalsContact CG-OG1 3.31Å; D342-T344 PolarHBondContact O-N 3.1Å; D342-T344 PolarHBondContact OD1-N 3.03Å; D342-T344 VanDerWaalsContact OD1-N 3.11Å; D342-T344 PolarHBondContact OD1-OG1 3.06Å; D342-T344 WeakPolarHBondContact OD2-CG2 3.4Å; D342-T344 PolarHBondContact OD2-OG1 3.13Å
343G95.8Very high97.5Very high31 Ų3123.6 Ų23.632%0.3213%0.134SC..SBendtrans72.57.7179.500000115.8S340S340-G343 PolarHBondContact O-N 3.49Å
344T96.6Very high97.5Very high91 Ų9120.6 Ų20.656%0.55813%0.125SC*.SBendtrans-77.2-23.9-177.460.30000113.4S340 D342S340-T344 PolarHBondContact OG-N 3.47Å; S340-T344 PolarHBondContact OG-OG1 3.09Å; D342-T344 HydrophobicContact CB-CG2 4.33Å; D342-T344 VanDerWaalsContact CG-CG2 3.49Å; D342-T344 VanDerWaalsContact CG-OG1 3.31Å; D342-T344 PolarHBondContact O-N 3.1Å; D342-T344 PolarHBondContact OD1-N 3.03Å; D342-T344 VanDerWaalsContact OD1-N 3.11Å; D342-T344 PolarHBondContact OD1-OG1 3.06Å; D342-T344 WeakPolarHBondContact OD2-CG2 3.4Å; D342-T344 PolarHBondContact OD2-OG1 3.13Å
345S97Very high97.5Very high18 Ų1820.6 Ų20.613%0.12613%0.125CC..  trans-149.2171.4179.5650000110.6T339 S340 W358T339-S345 WeakPolarHBondContact CG2-O 3.33Å; S340-S345 PolarHBondContact N-O 3.42Å; S340-S345 PolarHBondContact OG-N 3.45Å; S340-S345 VanDerWaalsContact OG-N 3.1Å; S340-S345 PolarHBondContact OG-O 2.8Å; S340-S345 VanDerWaalsContact OG-O 3.09Å; S340-S345 PolarHBondContact OG-OG 2.77Å; S345-W358 VanDerWaalsContact CA-O 3.23Å; S345-W358 WeakPolarHBondContact CA-O 3.4Å; S345-W358 VanDerWaalsContact CB-O 3.24Å; S345-W358 WeakPolarHBondContact CB-O 3.32Å
346F98Very high97.6Very high10 Ų1020.7 Ų20.74%0.04412%0.122CC..EExtended strand (participates in β ladder)trans-138.4157164.264.5-83.3000109.2I61 M305 V313 I315 L327 L337 M338 T339 T348 I357 W358I61-F346 HydrophobicContact CD1-CE1 4.33Å; I61-F346 HydrophobicContact CG2-CE1 3.86Å; I61-F346 HydrophobicContact CG2-CZ 4.06Å; M305-F346 HydrophobicContact CE-CB 4.34Å; M305-F346 HydrophobicContact CE-CG 4.44Å; M305-F346 HydrophobicContact SD-CB 3.92Å; M305-F346 HydrophobicContact SD-CD1 3.3Å; M305-F346 WeakPolarHBondContact SD-CD1 3.35Å; M305-F346 HydrophobicContact SD-CD2 3.87Å; M305-F346 HydrophobicContact SD-CE1 3.64Å; M305-F346 HydrophobicContact SD-CE2 4.18Å; M305-F346 HydrophobicContact SD-CG 3.41Å; M305-F346 WeakPolarHBondContact SD-CG 3.23Å; M305-F346 HydrophobicContact SD-CZ 4.06Å; V313-F346 HydrophobicContact CG1-CE2 4.32Å; I315-F346 HydrophobicContact CD1-CZ 4.42Å; L327-F346 HydrophobicContact CD1-CE1 4.49Å; L327-F346 HydrophobicContact CD1-CE2 4.27Å; L327-F346 HydrophobicContact CD1-CZ 3.52Å; L337-F346 HydrophobicContact CD1-CD2 4.27Å; L337-F346 HydrophobicContact CD1-CE2 4.43Å; L337-F346 HydrophobicContact CD2-CD2 4.46Å; L337-F346 HydrophobicContact CG-CD2 4.29Å; M338-F346 CarbonylContact O-C 3.5Å; M338-F346 WeakPolarHBondContact O-CA 3.02Å; T339-F346 HydrophobicContact CG2-CB 4.47Å; F346-T348 HydrophobicContact CD2-CG2 4.03Å; F346-T348 HydrophobicContact CE2-CG2 4Å; F346-I357 WeakPolarHBondContact O-CA 3.24Å; F346-W358 HydrophobicContact CD1-CB 4.02Å; F346-W358 HydrophobicContact CD2-CB 4.21Å; F346-W358 AromaticContact CD2-CD1 3.82Å; F346-W358 HydrophobicContact CD2-CG 4.29Å; F346-W358 HydrophobicContact CE1-CB 3.49Å; F346-W358 VanDerWaalsContact CE1-CB 3.49Å; F346-W358 HydrophobicContact CE1-CG 4.3Å; F346-W358 HydrophobicContact CE2-CB 3.7Å; F346-W358 AromaticContact CE2-CD1 3.38Å; F346-W358 HydrophobicContact CE2-CD2 4.49Å; F346-W358 AromaticContact CE2-CG 3.61Å; F346-W358 HydrophobicContact CE2-CG 3.61Å; F346-W358 HydrophobicContact CG-CB 4.36Å; F346-W358 HydrophobicContact CZ-CB 3.31Å; F346-W358 AromaticContact CZ-CD1 3.91Å; F346-W358 HydrophobicContact CZ-CD2 4.44Å; F346-W358 AromaticContact CZ-CG 3.62Å; F346-W358 HydrophobicContact CZ-CG 3.62Å; F346-W358 PolarHBondContact N-O 3.42Å; F346-W358 PolarHBondContact O-N 3.29Å
347C98.4Very high97.6Very high0 Ų020.7 Ų20.70%012%0.122CC..EExtended strand (participates in β ladder)trans-123.3142.8-179.3-165.80000110.9M77 W79 I86 L337 M338 R356 I357M77-C347 HydrophobicContact CE-CB 3.26Å; M77-C347 WeakPolarHBondContact CE-SG 3.31Å; M77-C347 HydrophobicContact SD-CB 4.02Å; W79-C347 HydrophobicContact CZ2-CB 3.67Å; I86-C347 HydrophobicContact CD1-CB 4.03Å; L337-C347 WeakPolarHBondContact CA-O 3.15Å; M338-C347 PolarHBondContact N-O 2.8Å; M338-C347 PolarHBondContact O-N 2.88Å; C347-R356 CarbonylContact C-O 3.5Å; C347-R356 VanDerWaalsContact CA-O 3.24Å; C347-R356 WeakPolarHBondContact CA-O 3.19Å; C347-R356 PolarHBondContact SG-O 3.28Å; C347-I357 HydrophobicContact CB-CG1 4.18Å
348T98.5Very high97.6Very high0 Ų021.1 Ų21.10%012%0.123CC..EExtended strand (participates in β ladder)trans-121129.9-179.555.50000109.5V313 H330 V334 S336 L337 F346 L355 R356 W358V313-T348 HydrophobicContact CG2-CG2 3.89Å; H330-T348 PolarHBondContact NE2-OG1 2.77Å; V334-T348 HydrophobicContact CG1-CG2 4.4Å; S336-T348 WeakPolarHBondContact O-CA 3.43Å; L337-T348 HydrophobicContact CB-CG2 4.43Å; L337-T348 HydrophobicContact CD1-CG2 3.73Å; L337-T348 HydrophobicContact CG-CG2 3.91Å; F346-T348 HydrophobicContact CD2-CG2 4.03Å; F346-T348 HydrophobicContact CE2-CG2 4Å; T348-L355 CarbonylContact O-C 3.51Å; T348-L355 WeakPolarHBondContact O-CA 3.45Å; T348-R356 PolarHBondContact N-O 3.02Å; T348-R356 PolarHBondContact O-N 3.06Å; T348-R356 PolarHBondContact OG1-O 3.39Å; T348-W358 PolarHBondContact OG1-NE1 2.84Å
349A98.2Very high97.5Very high0 Ų023.1 Ų23.10%014%0.143CC..EExtended strand (participates in β ladder)trans-98144.8171.600000109.6V74 M77 V334 S335 S336 L355V74-A349 HydrophobicContact CB-CB 4.04Å; V74-A349 HydrophobicContact CG1-CB 3.63Å; M77-A349 HydrophobicContact CB-CB 4.49Å; M77-A349 HydrophobicContact CG-CB 4.16Å; V334-A349 CarbonylContact C-O 3.55Å; V334-A349 WeakPolarHBondContact CA-O 3.17Å; S335-A349 PolarHBondContact N-O 2.61Å; S335-A349 PolarHBondContact OG-O 2.88Å; S335-A349 VanDerWaalsContact OG-O 3.13Å; S336-A349 PolarHBondContact O-N 3.41Å; A349-L355 HydrophobicContact CB-CD2 4.12Å; A349-L355 HydrophobicContact CB-CG 4.39Å
350S98.5Very high97.5Very high0 Ų023.8 Ų23.80%015%0.147CC..EExtended strand (participates in β ladder)trans-141.8159.5-178.7171.50000113.1V74 H330 N332 R333 D352 S353 T354V74-S350 WeakPolarHBondContact CB-O 3.2Å; V74-S350 PolarHBondContact N-O 2.96Å; H330-S350 WeakPolarHBondContact CE1-CB 3.5Å; H330-S350 WeakPolarHBondContact ND1-CB 3.44Å; H330-S350 PolarHBondContact ND1-OG 3.44Å; N332-S350 PolarHBondContact O-OG 2.67Å; R333-S350 CarbonylContact O-C 3.6Å; R333-S350 WeakPolarHBondContact O-CA 3.4Å; R333-S350 WeakPolarHBondContact O-CB 3.41Å; R333-S350 PolarHBondContact O-OG 3.27Å; S350-D352 WeakPolarHBondContact CB-OD1 3.11Å; S350-D352 PolarHBondContact O-N 3.41Å; S350-D352 VanDerWaalsContact OG-CG 3.31Å; S350-D352 PolarHBondContact OG-N 3.26Å; S350-D352 VanDerWaalsContact OG-N 3.12Å; S350-D352 PolarHBondContact OG-OD1 3.14Å; S350-S353 PolarHBondContact O-N 3.4Å; S350-T354 PolarHBondContact N-O 3.14Å
351W98.3Very high97.5Very high61 Ų6125 Ų2523%0.23115%0.154CC..THydrogen-bonded Turntrans-66.8-6.7170.3-72.616.5000113.7K73 N332 R333 S353K73-W351 HydrophobicContact CB-CB 4.13Å; K73-W351 HydrophobicContact CB-CG 3.92Å; K73-W351 HydrophobicContact CD-CB 4.28Å; K73-W351 HydrophobicContact CD-CD2 3.66Å; K73-W351 HydrophobicContact CD-CE3 3.89Å; K73-W351 HydrophobicContact CD-CG 3.85Å; K73-W351 HydrophobicContact CD-CZ3 4.46Å; K73-W351 HydrophobicContact CG-CB 3.89Å; K73-W351 HydrophobicContact CG-CD2 4.24Å; K73-W351 HydrophobicContact CG-CG 3.88Å; N332-W351 HydrophobicContact CB-CB 3.83Å; R333-W351 HydrophobicContact CB-CB 4.4Å; R333-W351 HydrophobicContact CB-CD2 4.08Å; R333-W351 HydrophobicContact CB-CE3 4.27Å; R333-W351 HydrophobicContact CB-CG 4.14Å; R333-W351 PolarHBondContact O-N 2.82Å; W351-S353 PolarHBondContact O-N 2.89Å
352D97.8Very high97.7Very high28 Ų2824.1 Ų24.115%0.1515%0.148CC..THydrogen-bonded Turntrans-75.48.717071.49.5000113.4H330 E331 N332 S350 T354 R356H330-D352 WeakPolarHBondContact CA-OD2 3.49Å; H330-D352 IonicContact CE1-OD1 2.6Å; H330-D352 IonicContact CE1-OD2 3.55Å; H330-D352 IonicContact CG-OD2 3.45Å; H330-D352 IonicContact ND1-OD1 2.72Å; H330-D352 PolarHBondContact ND1-OD1 3.22Å; H330-D352 IonicContact ND1-OD2 3.75Å; H330-D352 PolarHBondContact ND1-OD2 2.77Å; E331-D352 HydrophobicContact CB-CB 4.12Å; E331-D352 PolarHBondContact N-OD2 3.07Å; E331-D352 VanDerWaalsContact N-OD2 3.15Å; N332-D352 HydrophobicContact CB-CB 4Å; S350-D352 WeakPolarHBondContact CB-OD1 3.11Å; S350-D352 PolarHBondContact O-N 3.41Å; S350-D352 VanDerWaalsContact OG-CG 3.31Å; S350-D352 PolarHBondContact OG-N 3.26Å; S350-D352 VanDerWaalsContact OG-N 3.12Å; S350-D352 PolarHBondContact OG-OD1 3.14Å; D352-T354 VanDerWaalsContact CG-OG1 3.27Å; D352-T354 PolarHBondContact O-N 3.26Å; D352-T354 WeakPolarHBondContact OD1-CA 3.35Å; D352-T354 WeakPolarHBondContact OD1-CB 3.47Å; D352-T354 PolarHBondContact OD1-N 3.24Å; D352-T354 PolarHBondContact OD1-OG1 2.9Å; D352-T354 PolarHBondContact OD2-OG1 2.94Å; D352-R356 IonicContact OD2-NH1 3.59Å; D352-R356 PolarHBondContact OD2-NH1 3.47Å
353S98Very high97.8Very high31 Ų3122.7 Ų22.722%0.21714%0.142CC..SBendtrans67.215.1-179-43.30000114.1G72 S350 W351G72-S353 VanDerWaalsContact C-OG 3.31Å; G72-S353 WeakPolarHBondContact O-CA 3.41Å; G72-S353 WeakPolarHBondContact O-CB 3.04Å; G72-S353 PolarHBondContact O-OG 2.85Å; S350-S353 PolarHBondContact O-N 3.4Å; W351-S353 PolarHBondContact O-N 2.89Å
354T98.3Very high97.9Very high16 Ų1622.2 Ų22.210%0.09813%0.131CC..EExtended strand (participates in β ladder)trans-120.8159.4179.376.60000112.8L66 L67 K68 S350 D352L66-T354 HydrophobicContact CD1-CG2 4.19Å; L67-T354 WeakPolarHBondContact O-CA 3.27Å; K68-T354 HydrophobicContact CG-CG2 4.22Å; S350-T354 PolarHBondContact N-O 3.14Å; D352-T354 VanDerWaalsContact CG-OG1 3.27Å; D352-T354 PolarHBondContact O-N 3.26Å; D352-T354 WeakPolarHBondContact OD1-CA 3.35Å; D352-T354 WeakPolarHBondContact OD1-CB 3.47Å; D352-T354 PolarHBondContact OD1-N 3.24Å; D352-T354 PolarHBondContact OD1-OG1 2.9Å; D352-T354 PolarHBondContact OD2-OG1 2.94Å
355L98.5Very high98Very high0 Ų017.6 Ų17.60%010%0.102CC..EExtended strand (participates in β ladder)trans-117.2139.6163.2-51.892.9000109.8L67 V74 M77 W98 T348 A349L67-L355 HydrophobicContact CB-CB 4.09Å; L67-L355 HydrophobicContact CB-CD1 4.2Å; L67-L355 HydrophobicContact CD1-CB 4.18Å; L67-L355 HydrophobicContact CG-CB 4.37Å; L67-L355 PolarHBondContact N-O 2.78Å; L67-L355 PolarHBondContact O-N 2.75Å; L67-L355 VanDerWaalsContact O-N 3.14Å; V74-L355 HydrophobicContact CG1-CD1 4.2Å; V74-L355 HydrophobicContact CG1-CD2 4.15Å; V74-L355 HydrophobicContact CG1-CG 4.11Å; V74-L355 HydrophobicContact CG2-CD1 4.15Å; V74-L355 HydrophobicContact CG2-CG 4.46Å; M77-L355 HydrophobicContact CB-CD2 3.92Å; M77-L355 HydrophobicContact CE-CD2 3.44Å; M77-L355 VanDerWaalsContact CE-CD2 3.44Å; M77-L355 HydrophobicContact CG-CD2 4.39Å; W98-L355 HydrophobicContact CZ2-CD1 4.12Å; T348-L355 CarbonylContact O-C 3.51Å; T348-L355 WeakPolarHBondContact O-CA 3.45Å; A349-L355 HydrophobicContact CB-CD2 4.12Å; A349-L355 HydrophobicContact CB-CG 4.39Å
356R98.4Very high98.1Very high19 Ų1917.6 Ų17.67%0.07210%0.1CC..EExtended strand (participates in β ladder)trans-117.4133.8177.9-74.9-179.1167.289.6-0.8110.2Q63 L66 G329 H330 C347 T348 D352 W358Q63-R356 HydrophobicContact CG-CB 4.3Å; Q63-R356 HydrophobicContact CG-CG 4.21Å; L66-R356 HydrophobicContact CD1-CG 3.66Å; G329-R356 PolarHBondContact O-NH1 3.31Å; G329-R356 PolarHBondContact O-NH2 2.89Å; H330-R356 PolarHBondContact CE1-NH1 3.16Å; H330-R356 VanDerWaalsContact CG-NH1 3.27Å; H330-R356 PolarHBondContact ND1-NH1 2.94Å; C347-R356 CarbonylContact C-O 3.5Å; C347-R356 VanDerWaalsContact CA-O 3.24Å; C347-R356 WeakPolarHBondContact CA-O 3.19Å; C347-R356 PolarHBondContact SG-O 3.28Å; T348-R356 PolarHBondContact N-O 3.02Å; T348-R356 PolarHBondContact O-N 3.06Å; T348-R356 PolarHBondContact OG1-O 3.39Å; D352-R356 IonicContact OD2-NH1 3.59Å; D352-R356 PolarHBondContact OD2-NH1 3.47Å; R356-W358 HydrophobicContact CB-CZ2 3.92Å; R356-W358 HydrophobicContact CG-CZ2 4.38Å; R356-W358 PolarHBondContact O-NE1 2.79Å
357I98.3Very high98.1Very high11 Ų1118.2 Ų18.26%0.05611%0.105CC..EExtended strand (participates in β ladder)trans-104130173.6-55.1174.2000108.3Q63 R64 R65 W79 I86 A100 F346 C347Q63-I357 CarbonylContact C-O 3.55Å; Q63-I357 WeakPolarHBondContact CA-O 3.48Å; R64-I357 PolarHBondContact N-O 3.01Å; R65-I357 HydrophobicContact CB-CB 4.04Å; R65-I357 HydrophobicContact CB-CD1 3.87Å; R65-I357 HydrophobicContact CB-CG1 4.18Å; R65-I357 HydrophobicContact CG-CD1 4.23Å; R65-I357 PolarHBondContact N-O 3.26Å; R65-I357 PolarHBondContact O-N 3.43Å; W79-I357 HydrophobicContact CH2-CD1 4.38Å; W79-I357 HydrophobicContact CH2-CG2 4.44Å; I86-I357 HydrophobicContact CD1-CD1 4.2Å; I86-I357 HydrophobicContact CD1-CG1 4.47Å; A100-I357 HydrophobicContact CB-CD1 3.42Å; A100-I357 VanDerWaalsContact CB-CD1 3.42Å; A100-I357 WeakPolarHBondContact O-CD1 3.42Å; F346-I357 WeakPolarHBondContact O-CA 3.24Å; C347-I357 HydrophobicContact CB-CG1 4.18Å
358W98Very high98.1Very high9 Ų919.7 Ų19.73%0.03411%0.114CC..EExtended strand (participates in β ladder)trans-119.5138.7-174.4-52.887.3000110I61 K62 Q63 L327 Y328 S345 F346 T348 R356I61-W358 HydrophobicContact CG2-CB 3.74Å; I61-W358 HydrophobicContact CG2-CE3 4.47Å; K62-W358 WeakPolarHBondContact O-CA 3.17Å; Q63-W358 HydrophobicContact CB-CE3 4.01Å; Q63-W358 HydrophobicContact CB-CH2 4.33Å; Q63-W358 HydrophobicContact CB-CZ3 3.91Å; L327-W358 HydrophobicContact CB-CE3 4.41Å; L327-W358 HydrophobicContact CB-CH2 4.28Å; L327-W358 HydrophobicContact CB-CZ3 4.07Å; L327-W358 HydrophobicContact CD1-CD2 4.18Å; L327-W358 HydrophobicContact CD1-CE3 3.95Å; L327-W358 HydrophobicContact CD1-CZ3 4.43Å; Y328-W358 WeakPolarHBondContact O-CH2 3.4Å; S345-W358 VanDerWaalsContact CA-O 3.23Å; S345-W358 WeakPolarHBondContact CA-O 3.4Å; S345-W358 VanDerWaalsContact CB-O 3.24Å; S345-W358 WeakPolarHBondContact CB-O 3.32Å; F346-W358 HydrophobicContact CD1-CB 4.02Å; F346-W358 HydrophobicContact CD2-CB 4.21Å; F346-W358 AromaticContact CD2-CD1 3.82Å; F346-W358 HydrophobicContact CD2-CG 4.29Å; F346-W358 HydrophobicContact CE1-CB 3.49Å; F346-W358 VanDerWaalsContact CE1-CB 3.49Å; F346-W358 HydrophobicContact CE1-CG 4.3Å; F346-W358 HydrophobicContact CE2-CB 3.7Å; F346-W358 AromaticContact CE2-CD1 3.38Å; F346-W358 HydrophobicContact CE2-CD2 4.49Å; F346-W358 AromaticContact CE2-CG 3.61Å; F346-W358 HydrophobicContact CE2-CG 3.61Å; F346-W358 HydrophobicContact CG-CB 4.36Å; F346-W358 HydrophobicContact CZ-CB 3.31Å; F346-W358 AromaticContact CZ-CD1 3.91Å; F346-W358 HydrophobicContact CZ-CD2 4.44Å; F346-W358 AromaticContact CZ-CG 3.62Å; F346-W358 HydrophobicContact CZ-CG 3.62Å; F346-W358 PolarHBondContact N-O 3.42Å; F346-W358 PolarHBondContact O-N 3.29Å; T348-W358 PolarHBondContact OG1-NE1 2.84Å; R356-W358 HydrophobicContact CB-CZ2 3.92Å; R356-W358 HydrophobicContact CG-CZ2 4.38Å; R356-W358 PolarHBondContact O-NE1 2.79Å
359A95.7Very high98Very high61 Ų6121.5 Ų21.550%0.50412%0.124SC..  trans-155.90174.400000111.9K62 R64K62-A359 PolarHBondContact N-O 3.36Å; K62-A359 PolarHBondContact O-N 2.61Å; K62-A359 VanDerWaalsContact O-N 3.13Å; R64-A359 HydrophobicContact CG-CB 3.85Å; R64-A359 VanDerWaalsContact CZ-O 3.24Å; R64-A359 PolarHBondContact NE-O 2.66Å; R64-A359 PolarHBondContact NH2-O 3.16Å

Retrieved 359 of 359 residues in 691.2 ms (Link to these results)

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