A0A060XRM5_ONCMY Loading...

Thioredoxin domain-containing protein 9

Significantly diminishes the chaperonin TCP1 complex ATPase activity, thus negatively impacts protein folding, including that of actin or tubulin.

AlphaFold DB , UniProt , Accession A0A060XRM5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene TXNDC9, Length 226 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
1M53.8Low69.3Low208 Ų208116 Ų116100%1.02563%0.629SS**  0-46.80-62.1-108.5-144.700111.9S5M1-S5 PolarHBondContact O-N 3.46Å; M1-S5 PolarHBondContact O-OG 3.08Å
2A57.1Low70.5Confident70 Ų70110.5 Ų110.558%0.57961%0.611SS**Hα-helixtrans-68.5-30.4-177.400000116.4S5 M6A2-S5 WeakPolarHBondContact CA-OG 3.18Å; A2-S5 PolarHBondContact O-OG 3.47Å; A2-M6 PolarHBondContact O-N 3.46Å
3S60.6Low71.5Confident89 Ų89110.1 Ų110.162%0.62261%0.606SS**Hα-helixtrans-74.6-35.9177.681.10000112.2S5 M6 E7S3-S5 VanDerWaalsContact C-N 3.34Å; S3-S5 PolarHBondContact O-N 3.4Å; S3-M6 PolarHBondContact O-N 3.01Å; S3-E7 WeakPolarHBondContact O-CB 3.34Å; S3-E7 PolarHBondContact O-N 2.83Å
4Q65.7Low72.1Confident130 Ų130111.6 Ų111.661%0.60761%0.607SS**Hα-helixtrans-66-37.2178.3-137.1171.79.800111.6E7 I8Q4-E7 PolarHBondContact O-N 3.38Å; Q4-I8 WeakPolarHBondContact O-CD1 3.43Å; Q4-I8 WeakPolarHBondContact O-CG1 3.38Å; Q4-I8 PolarHBondContact O-N 2.96Å
5S66.1Low72.9Confident66 Ų66113.1 Ų113.146%0.46261%0.608SS.*Hα-helixtrans-68.4-36.9174.448.90000113.4M1 A2 S3 M9M1-S5 PolarHBondContact O-N 3.46Å; M1-S5 PolarHBondContact O-OG 3.08Å; A2-S5 WeakPolarHBondContact CA-OG 3.18Å; A2-S5 PolarHBondContact O-OG 3.47Å; S3-S5 VanDerWaalsContact C-N 3.34Å; S3-S5 PolarHBondContact O-N 3.4Å; S5-M9 WeakPolarHBondContact O-CB 3.42Å; S5-M9 PolarHBondContact O-N 3.05Å; S5-M9 VanDerWaalsContact O-N 3.08Å
6M68.4Low73.6Confident143 Ų143113.9 Ų113.970%0.70461%0.607SS**Hα-helixtrans-68.4-37.3175.1-74.6-178.5174.500111.7A2 S3 M9 A10A2-M6 PolarHBondContact O-N 3.46Å; S3-M6 PolarHBondContact O-N 3.01Å; M6-M9 PolarHBondContact O-N 3.47Å; M6-A10 WeakPolarHBondContact O-CB 3.32Å; M6-A10 PolarHBondContact O-N 2.94Å
7E74.1Confident74.4Confident121 Ų121112.2 Ų112.257%0.56560%0.601SS**Hα-helixtrans-70-36.7178.8-155.3173.1168.500112.4S3 Q4 K11S3-E7 WeakPolarHBondContact O-CB 3.34Å; S3-E7 PolarHBondContact O-N 2.83Å; Q4-E7 PolarHBondContact O-N 3.38Å; E7-K11 PolarHBondContact O-N 3.45Å; E7-K11 VanDerWaalsContact O-N 3.07Å
8I79.8Confident75.1Confident114 Ų114111 Ų11159%0.58560%0.595SS**Hα-helixtrans-66.5-41.9172.3-67.8163.4000110.8Q4 K11 A12Q4-I8 WeakPolarHBondContact O-CD1 3.43Å; Q4-I8 WeakPolarHBondContact O-CG1 3.38Å; Q4-I8 PolarHBondContact O-N 2.96Å; I8-K11 PolarHBondContact O-N 3.41Å; I8-A12 WeakPolarHBondContact O-CB 3.42Å; I8-A12 PolarHBondContact O-N 3.48Å
9M76.2Confident75.7Confident146 Ų146111.5 Ų111.572%0.71959%0.593SS**Hα-helixtrans-69.3-36.8179.2-165.2173.8-84.800112S5 M6 A12 L13S5-M9 WeakPolarHBondContact O-CB 3.42Å; S5-M9 PolarHBondContact O-N 3.05Å; S5-M9 VanDerWaalsContact O-N 3.08Å; M6-M9 PolarHBondContact O-N 3.47Å; M9-A12 PolarHBondContact O-N 2.92Å; M9-L13 WeakPolarHBondContact O-CB 3.35Å; M9-L13 PolarHBondContact O-N 3.34Å
10A78.9Confident76.1Confident59 Ų59108.7 Ų108.749%0.48858%0.583SS.*Hα-helixtrans-63.7-45.7173.100000112.1M6 A12 L13 E14M6-A10 WeakPolarHBondContact O-CB 3.32Å; M6-A10 PolarHBondContact O-N 2.94Å; A10-A12 PolarHBondContact O-N 2.94Å; A10-L13 PolarHBondContact O-N 3.36Å; A10-E14 WeakPolarHBondContact O-CB 3.44Å; A10-E14 PolarHBondContact O-N 2.98Å
11K81.1Confident76.6Confident130 Ų130105.6 Ų105.657%0.56557%0.572SS**Hα-helixtrans-62.8-38.7174-90.8179.5173.2170.70113.1E7 I8 E14 Q15E7-K11 PolarHBondContact O-N 3.45Å; E7-K11 VanDerWaalsContact O-N 3.07Å; I8-K11 PolarHBondContact O-N 3.41Å; K11-E14 PolarHBondContact O-N 3.28Å; K11-Q15 WeakPolarHBondContact O-CB 3.49Å; K11-Q15 WeakPolarHBondContact O-CG 3.37Å; K11-Q15 PolarHBondContact O-N 3.34Å
12A83.7Confident78.2Confident50 Ų50103.2 Ų103.241%0.41355%0.552SS.*Hα-helixtrans-65.8-41.7176.900000111.6I8 M9 A10 Q15 Q16I8-A12 WeakPolarHBondContact O-CB 3.42Å; I8-A12 PolarHBondContact O-N 3.48Å; M9-A12 PolarHBondContact O-N 2.92Å; A10-A12 PolarHBondContact O-N 2.94Å; A12-Q15 PolarHBondContact O-N 3.47Å; A12-Q16 WeakPolarHBondContact O-CB 3.43Å; A12-Q16 PolarHBondContact O-N 3.26Å
13L83.4Confident79.6Confident105 Ų105105.7 Ų105.755%0.5555%0.552SS.*Hα-helixtrans-65.8-42175.7-176.862.1000111.7M9 A10 Q16 V17M9-L13 WeakPolarHBondContact O-CB 3.35Å; M9-L13 PolarHBondContact O-N 3.34Å; A10-L13 PolarHBondContact O-N 3.36Å; L13-Q16 PolarHBondContact O-N 3.07Å; L13-V17 HydrophobicContact CD1-CG2 4.45Å; L13-V17 VanDerWaalsContact O-CG2 3.28Å; L13-V17 WeakPolarHBondContact O-CG2 3.37Å; L13-V17 PolarHBondContact O-N 2.89Å
14E79.9Confident80.9Confident132 Ų132105.9 Ų105.962%0.61755%0.55SS*.Hα-helixtrans-60.5-45.6175.5-172.4179.4-172.200111.5A10 K11 Q16 V17 L18A10-E14 WeakPolarHBondContact O-CB 3.44Å; A10-E14 PolarHBondContact O-N 2.98Å; K11-E14 PolarHBondContact O-N 3.28Å; E14-Q16 PolarHBondContact O-N 2.72Å; E14-V17 PolarHBondContact O-N 2.7Å; E14-L18 WeakPolarHBondContact O-CB 3.43Å; E14-L18 PolarHBondContact O-N 2.92Å
15Q85Confident81.9Confident133 Ų133105.4 Ų105.462%0.62155%0.548SS*.Hα-helixtrans-63.1-40174.8-78.1-176.9-16.300112.6K11 A12 L18 Q19K11-Q15 WeakPolarHBondContact O-CB 3.49Å; K11-Q15 WeakPolarHBondContact O-CG 3.37Å; K11-Q15 PolarHBondContact O-N 3.34Å; A12-Q15 PolarHBondContact O-N 3.47Å; Q15-L18 PolarHBondContact O-N 2.88Å; Q15-Q19 WeakPolarHBondContact O-CB 3.47Å; Q15-Q19 VanDerWaalsContact O-CG 3.32Å; Q15-Q19 WeakPolarHBondContact O-CG 3.47Å; Q15-Q19 PolarHBondContact O-N 3.37Å
16Q84.1Confident83Confident127 Ų127107.3 Ų107.359%0.59355%0.549SS*.Hα-helixtrans-66.4-41.8177.8-173.1178.4-20.300111.6A12 L13 E14 L18 Q19 S20A12-Q16 WeakPolarHBondContact O-CB 3.43Å; A12-Q16 PolarHBondContact O-N 3.26Å; L13-Q16 PolarHBondContact O-N 3.07Å; E14-Q16 PolarHBondContact O-N 2.72Å; Q16-L18 VanDerWaalsContact C-N 3.35Å; Q16-Q19 PolarHBondContact O-N 3.06Å; Q16-S20 WeakPolarHBondContact O-CB 3.39Å; Q16-S20 PolarHBondContact O-N 3.45Å; Q16-S20 PolarHBondContact O-OG 3.46Å
17V86.3Confident83.8Confident84 Ų84106.3 Ų106.351%0.50954%0.543SS..Hα-helixtrans-62.4-44.2174.1171.30000110.2L13 E14 Q19 S20 A21L13-V17 HydrophobicContact CD1-CG2 4.45Å; L13-V17 VanDerWaalsContact O-CG2 3.28Å; L13-V17 WeakPolarHBondContact O-CG2 3.37Å; L13-V17 PolarHBondContact O-N 2.89Å; E14-V17 PolarHBondContact O-N 2.7Å; V17-Q19 PolarHBondContact O-N 3.4Å; V17-S20 WeakPolarHBondContact CA-OG 3.29Å; V17-S20 PolarHBondContact O-N 3.37Å; V17-S20 PolarHBondContact O-OG 3.44Å; V17-A21 PolarHBondContact O-N 3.07Å
18L87.5Confident84.1Confident91 Ų91105.6 Ų105.648%0.47654%0.542SS..Hα-helixtrans-63.6-40.4178.3-149.6101.3000112.6E14 Q15 Q16 A21 R22E14-L18 WeakPolarHBondContact O-CB 3.43Å; E14-L18 PolarHBondContact O-N 2.92Å; Q15-L18 PolarHBondContact O-N 2.88Å; Q16-L18 VanDerWaalsContact C-N 3.35Å; L18-A21 PolarHBondContact O-N 3.48Å; L18-R22 WeakPolarHBondContact O-CG 3.39Å; L18-R22 PolarHBondContact O-N 2.91Å; L18-R22 VanDerWaalsContact O-N 3.07Å
19Q86.2Confident84.3Confident120 Ų120105.4 Ų105.456%0.56154%0.543SS*.Hα-helixtrans-66.3-40174.8-76.2180-17.600111.8Q15 Q16 V17 R22 M23Q15-Q19 WeakPolarHBondContact O-CB 3.47Å; Q15-Q19 VanDerWaalsContact O-CG 3.32Å; Q15-Q19 WeakPolarHBondContact O-CG 3.47Å; Q15-Q19 PolarHBondContact O-N 3.37Å; Q16-Q19 PolarHBondContact O-N 3.06Å; V17-Q19 PolarHBondContact O-N 3.4Å; Q19-R22 PolarHBondContact O-N 3.02Å; Q19-M23 WeakPolarHBondContact O-CE 3.3Å; Q19-M23 WeakPolarHBondContact O-CG 3.43Å; Q19-M23 PolarHBondContact O-N 3.38Å
20S84.1Confident84.6Confident56 Ų56104.3 Ų104.339%0.39253%0.534SS..Hα-helixtrans-64.8-41.517673.80000112.1Q16 V17 M23 V24Q16-S20 WeakPolarHBondContact O-CB 3.39Å; Q16-S20 PolarHBondContact O-N 3.45Å; Q16-S20 PolarHBondContact O-OG 3.46Å; V17-S20 WeakPolarHBondContact CA-OG 3.29Å; V17-S20 PolarHBondContact O-N 3.37Å; V17-S20 PolarHBondContact O-OG 3.44Å; S20-M23 PolarHBondContact O-N 3.49Å; S20-V24 VanDerWaalsContact O-CG2 3.3Å; S20-V24 WeakPolarHBondContact O-CG2 3.34Å; S20-V24 PolarHBondContact O-N 3.02Å
21A85.9Confident84.7Confident43 Ų43107.3 Ų107.336%0.35554%0.538SS..Hα-helixtrans-62.4-45.2176.200000111.5V17 L18 M23 V24 E25V17-A21 PolarHBondContact O-N 3.07Å; L18-A21 PolarHBondContact O-N 3.48Å; A21-M23 PolarHBondContact O-N 2.87Å; A21-V24 PolarHBondContact O-N 3.46Å; A21-E25 WeakPolarHBondContact O-CG 3.4Å; A21-E25 PolarHBondContact O-N 3.38Å
22R87.4Confident84.4Confident159 Ų159105.7 Ų105.760%0.654%0.535SS*.Hα-helixtrans-61.9-41.6176.5-75.4178.4-179.7174.50.7113.3L18 Q19 V24 E25 E26L18-R22 WeakPolarHBondContact O-CG 3.39Å; L18-R22 PolarHBondContact O-N 2.91Å; L18-R22 VanDerWaalsContact O-N 3.07Å; Q19-R22 PolarHBondContact O-N 3.02Å; R22-V24 VanDerWaalsContact C-N 3.31Å; R22-V24 PolarHBondContact O-N 3.23Å; R22-E25 PolarHBondContact O-N 2.91Å; R22-E26 WeakPolarHBondContact O-CB 3.41Å; R22-E26 PolarHBondContact O-N 3.3Å
23M87.4Confident84.1Confident121 Ų121103.9 Ų103.960%0.59652%0.521SS*.Hα-helixtrans-64.3-38.2175.9-77.1-173.8-76.700111.7Q19 S20 A21 Q27Q19-M23 WeakPolarHBondContact O-CE 3.3Å; Q19-M23 WeakPolarHBondContact O-CG 3.43Å; Q19-M23 PolarHBondContact O-N 3.38Å; S20-M23 PolarHBondContact O-N 3.49Å; A21-M23 PolarHBondContact O-N 2.87Å; M23-Q27 WeakPolarHBondContact O-CB 3.46Å; M23-Q27 PolarHBondContact O-N 2.93Å
24V87.4Confident83.8Confident94 Ų94105.7 Ų105.757%0.5752%0.524SS*.Hα-helixtrans-66.9-44.5175.1171.90000111.1S20 A21 R22 Q27 L28S20-V24 VanDerWaalsContact O-CG2 3.3Å; S20-V24 WeakPolarHBondContact O-CG2 3.34Å; S20-V24 PolarHBondContact O-N 3.02Å; A21-V24 PolarHBondContact O-N 3.46Å; R22-V24 VanDerWaalsContact C-N 3.31Å; R22-V24 PolarHBondContact O-N 3.23Å; V24-Q27 WeakPolarHBondContact O-CB 3.43Å; V24-Q27 PolarHBondContact O-N 3.03Å; V24-L28 WeakPolarHBondContact O-CB 3.28Å; V24-L28 PolarHBondContact O-N 3.25Å
25E87.3Confident83.1Confident119 Ų119105.1 Ų105.156%0.55653%0.525SS*.Hα-helixtrans-59.7-47.7176.1-74.8174.8169.900111.5A21 R22 Q27 L28 D29A21-E25 WeakPolarHBondContact O-CG 3.4Å; A21-E25 PolarHBondContact O-N 3.38Å; R22-E25 PolarHBondContact O-N 2.91Å; E25-Q27 VanDerWaalsContact C-N 3.3Å; E25-Q27 PolarHBondContact O-N 3.3Å; E25-L28 CarbonylContact O-C 3.6Å; E25-L28 WeakPolarHBondContact O-CA 3.23Å; E25-L28 WeakPolarHBondContact O-CB 3.39Å; E25-L28 PolarHBondContact O-N 3.26Å; E25-L28 VanDerWaalsContact O-N 3.08Å; E25-D29 PolarHBondContact O-N 2.93Å
26E89.5Confident82.3Confident107 Ų107106.2 Ų106.250%0.553%0.53SS..Hα-helixtrans-66-33.9-179.6-160.7-170.3152.400112.3R22 K30R22-E26 WeakPolarHBondContact O-CB 3.41Å; R22-E26 PolarHBondContact O-N 3.3Å; E26-K30 WeakPolarHBondContact O-CB 3.5Å; E26-K30 VanDerWaalsContact O-CG 3.29Å; E26-K30 WeakPolarHBondContact O-CG 3.49Å; E26-K30 PolarHBondContact O-N 3.36Å; E26-K30 VanDerWaalsContact O-N 3.09Å; E26-K30 WeakPolarHBondContact OE1-CE 3.4Å; E26-K30 IonicContact OE1-NZ 2.72Å; E26-K30 PolarHBondContact OE1-NZ 3.07Å
27Q85.3Confident81.5Confident122 Ų122108.6 Ų108.657%0.5753%0.533SS*.Hα-helixtrans-65.6-43.7172-166.790.31.300110.7M23 V24 E25 K30 E31M23-Q27 WeakPolarHBondContact O-CB 3.46Å; M23-Q27 PolarHBondContact O-N 2.93Å; V24-Q27 WeakPolarHBondContact O-CB 3.43Å; V24-Q27 PolarHBondContact O-N 3.03Å; E25-Q27 VanDerWaalsContact C-N 3.3Å; E25-Q27 PolarHBondContact O-N 3.3Å; Q27-K30 PolarHBondContact O-N 3.36Å; Q27-E31 PolarHBondContact O-N 3.43Å; Q27-E31 VanDerWaalsContact O-N 3.07Å
28L80.2Confident80.5Confident105 Ų105106.8 Ų106.855%0.5552%0.52SS..Hα-helixtrans-63.4-45.8177.9-131.477000111.3V24 E25 K30 E31 L32V24-L28 WeakPolarHBondContact O-CB 3.28Å; V24-L28 PolarHBondContact O-N 3.25Å; E25-L28 CarbonylContact O-C 3.6Å; E25-L28 WeakPolarHBondContact O-CA 3.23Å; E25-L28 WeakPolarHBondContact O-CB 3.39Å; E25-L28 PolarHBondContact O-N 3.26Å; E25-L28 VanDerWaalsContact O-N 3.08Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.21Å; L28-E31 PolarHBondContact O-N 3.41Å; L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 PolarHBondContact O-N 3.08Å
29D82.8Confident79.6Confident111 Ų111108 Ų10859%0.59453%0.527SS*.Hα-helixtrans-63.8-37178.8-76.6-16.1000112E25 L32 G33E25-D29 PolarHBondContact O-N 2.93Å; D29-L32 PolarHBondContact O-N 3.08Å; D29-G33 PolarHBondContact O-N 2.82Å
30K83.8Confident78.9Confident122 Ų122108.8 Ų108.853%0.5354%0.535SS..Hα-helixtrans-65.9-41.3174-79.1171.1-172.5160.30112.1E26 Q27 L28 K34E26-K30 WeakPolarHBondContact O-CB 3.5Å; E26-K30 VanDerWaalsContact O-CG 3.29Å; E26-K30 WeakPolarHBondContact O-CG 3.49Å; E26-K30 PolarHBondContact O-N 3.36Å; E26-K30 VanDerWaalsContact O-N 3.09Å; E26-K30 WeakPolarHBondContact OE1-CE 3.4Å; E26-K30 IonicContact OE1-NZ 2.72Å; E26-K30 PolarHBondContact OE1-NZ 3.07Å; Q27-K30 PolarHBondContact O-N 3.36Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.21Å; K30-K34 WeakPolarHBondContact O-CB 3.4Å; K30-K34 PolarHBondContact O-N 3.47Å
31E80.1Confident78.3Confident123 Ų123111.2 Ų111.258%0.57554%0.543SS*.Hα-helixtrans-68.1-41.5175-74.9-171.317400111.9Q27 L28 K34 L35Q27-E31 PolarHBondContact O-N 3.43Å; Q27-E31 VanDerWaalsContact O-N 3.07Å; L28-E31 PolarHBondContact O-N 3.41Å; E31-K34 WeakPolarHBondContact O-CB 3.46Å; E31-K34 PolarHBondContact O-N 3.19Å; E31-L35 PolarHBondContact O-N 2.98Å
32L76Confident77.9Confident96 Ų96113.8 Ų113.850%0.50355%0.548SS..Hα-helixtrans-63.5-49.7178.2-147.890.2000111.1L28 D29 K34 L35 E36L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 PolarHBondContact O-N 3.08Å; D29-L32 PolarHBondContact O-N 3.08Å; L32-K34 PolarHBondContact O-N 2.85Å; L32-L35 WeakPolarHBondContact O-CA 3.38Å; L32-L35 WeakPolarHBondContact O-CB 3.44Å; L32-L35 PolarHBondContact O-N 3.14Å; L32-E36 PolarHBondContact O-N 3.09Å
33G76.8Confident77.1Confident11 Ų11110.1 Ų110.111%0.11354%0.539CS..Hα-helixtrans-65.7-26.8176.800000112.7D29 R37D29-G33 PolarHBondContact O-N 2.82Å; G33-R37 VanDerWaalsContact C-CZ 3.48Å; G33-R37 VanDerWaalsContact C-NH2 3.3Å; G33-R37 WeakPolarHBondContact O-CB 3.47Å; G33-R37 VanDerWaalsContact O-CG 3.23Å; G33-R37 WeakPolarHBondContact O-CG 3.38Å; G33-R37 PolarHBondContact O-N 2.81Å; G33-R37 PolarHBondContact O-NE 2.87Å; G33-R37 VanDerWaalsContact O-NE 3.08Å; G33-R37 PolarHBondContact O-NH2 3.33Å
34K76.5Confident76.8Confident143 Ų143110.5 Ų110.562%0.62254%0.539SS*.Hα-helixtrans-68.2-43170-176-179.6178-177.70110.7K30 E31 L32 R37 M38K30-K34 WeakPolarHBondContact O-CB 3.4Å; K30-K34 PolarHBondContact O-N 3.47Å; E31-K34 WeakPolarHBondContact O-CB 3.46Å; E31-K34 PolarHBondContact O-N 3.19Å; L32-K34 PolarHBondContact O-N 2.85Å; K34-R37 CarbonylContact O-C 3.6Å; K34-R37 PolarHBondContact O-N 3.33Å; K34-M38 WeakPolarHBondContact O-CG 3.49Å; K34-M38 PolarHBondContact O-N 3.02Å; K34-M38 VanDerWaalsContact O-N 3.14Å
35L65.8Low76.7Confident121 Ų121112.1 Ų112.163%0.63454%0.539SS*.Hα-helixtrans-65.6-38.6179.5-138.676.5000112.4E31 L32 R37 M38E31-L35 PolarHBondContact O-N 2.98Å; L32-L35 WeakPolarHBondContact O-CA 3.38Å; L32-L35 WeakPolarHBondContact O-CB 3.44Å; L32-L35 PolarHBondContact O-N 3.14Å; L35-R37 VanDerWaalsContact C-N 3.28Å; L35-R37 PolarHBondContact O-N 3.27Å; L35-M38 HydrophobicContact CD1-SD 3.9Å; L35-M38 PolarHBondContact O-N 3.48Å
36E67.6Low76.4Confident155 Ų155109.7 Ų109.772%0.72453%0.529SS*.Hα-helixtrans-70-24.7175.6-71.6178.6174.500113.2L32L32-E36 PolarHBondContact O-N 3.09Å
37R67.6Low76.2Confident178 Ų178110.8 Ų110.867%0.67253%0.532SS*.THydrogen-bonded Turntrans-92.7-1.1175.4-70.6-175.5-65.2-101.9-1.9113.7G33 K34 L35 D39G33-R37 VanDerWaalsContact C-CZ 3.48Å; G33-R37 VanDerWaalsContact C-NH2 3.3Å; G33-R37 WeakPolarHBondContact O-CB 3.47Å; G33-R37 VanDerWaalsContact O-CG 3.23Å; G33-R37 WeakPolarHBondContact O-CG 3.38Å; G33-R37 PolarHBondContact O-N 2.81Å; G33-R37 PolarHBondContact O-NE 2.87Å; G33-R37 VanDerWaalsContact O-NE 3.08Å; G33-R37 PolarHBondContact O-NH2 3.33Å; K34-R37 CarbonylContact O-C 3.6Å; K34-R37 PolarHBondContact O-N 3.33Å; L35-R37 VanDerWaalsContact C-N 3.28Å; L35-R37 PolarHBondContact O-N 3.27Å; R37-D39 PolarHBondContact O-N 2.94Å
38M65.3Low76.3Confident45 Ų45111.1 Ų111.122%0.22253%0.534CS..  trans-72.2118173-72.8-177.363.700108.3K34 L35 E42K34-M38 WeakPolarHBondContact O-CG 3.49Å; K34-M38 PolarHBondContact O-N 3.02Å; K34-M38 VanDerWaalsContact O-N 3.14Å; L35-M38 HydrophobicContact CD1-SD 3.9Å; L35-M38 PolarHBondContact O-N 3.48Å; M38-E42 HydrophobicContact CB-CB 4.39Å; M38-E42 HydrophobicContact CE-CB 3.84Å; M38-E42 WeakPolarHBondContact CG-OE2 3.38Å
39D68.2Low76.7Confident118 Ų118114.4 Ų114.463%0.63154%0.539SS*.  trans-63.1155.6176-70.3-28.7000111R37 D41 E42 M43R37-D39 PolarHBondContact O-N 2.94Å; D39-D41 PolarHBondContact O-N 3.16Å; D39-D41 VanDerWaalsContact O-N 3.08Å; D39-E42 PolarHBondContact O-N 3Å; D39-M43 PolarHBondContact O-N 3.03Å; D39-M43 VanDerWaalsContact O-N 3.16Å
40D71.6Confident76.9Confident136 Ų136117.2 Ų117.273%0.72754%0.541SS*.Hα-helixtrans-51.8-34.7177.9-77.5-31.4000112.2M43 E44D40-M43 PolarHBondContact O-N 3.08Å; D40-E44 WeakPolarHBondContact O-CB 3.33Å; D40-E44 PolarHBondContact O-N 3Å
41D72.1Confident77Confident106 Ų106116.4 Ų116.457%0.56754%0.54SS*.Hα-helixtrans-64.5-36175.1-74.41000113.6D39 K45D39-D41 PolarHBondContact O-N 3.16Å; D39-D41 VanDerWaalsContact O-N 3.08Å; D41-K45 WeakPolarHBondContact O-CG 3.43Å; D41-K45 PolarHBondContact O-N 3.31Å
42E77.7Confident77.5Confident98 Ų98116.9 Ų116.946%0.45854%0.542SS..Hα-helixtrans-73.3-36.9175.5-70.5-161.4147.700111.3M38 D39 E44 K45 L46M38-E42 HydrophobicContact CB-CB 4.39Å; M38-E42 HydrophobicContact CE-CB 3.84Å; M38-E42 WeakPolarHBondContact CG-OE2 3.38Å; D39-E42 PolarHBondContact O-N 3Å; E42-E44 VanDerWaalsContact C-N 3.31Å; E42-K45 PolarHBondContact O-N 3.43Å; E42-L46 PolarHBondContact O-N 2.87Å
43M70.3Confident78.1Confident81 Ų81115.2 Ų115.240%0.39954%0.543SS..Hα-helixtrans-64.5-38.8173.5-165-175.9-60.800111.1D39 D40 L46 K47D39-M43 PolarHBondContact O-N 3.03Å; D39-M43 VanDerWaalsContact O-N 3.16Å; D40-M43 PolarHBondContact O-N 3.08Å; M43-L46 PolarHBondContact O-N 3.08Å; M43-K47 WeakPolarHBondContact O-CG 3.43Å; M43-K47 PolarHBondContact O-N 2.86Å
44E80.9Confident78.6Confident129 Ų129120 Ų12060%0.60357%0.565SS**Hα-helixtrans-65.1-45.8174.9-169.5163.7-142.800112D40 E42 L46 K47 E48D40-E44 WeakPolarHBondContact O-CB 3.33Å; D40-E44 PolarHBondContact O-N 3Å; E42-E44 VanDerWaalsContact C-N 3.31Å; E44-L46 VanDerWaalsContact C-N 3.28Å; E44-L46 PolarHBondContact O-N 3.3Å; E44-K47 WeakPolarHBondContact O-CB 3.36Å; E44-K47 PolarHBondContact O-N 2.89Å; E44-K47 VanDerWaalsContact O-N 3.14Å; E44-E48 WeakPolarHBondContact O-CB 3.48Å; E44-E48 PolarHBondContact O-N 3.14Å
45K84.9Confident79.3Confident129 Ų129119.3 Ų119.356%0.56156%0.562SS**Hα-helixtrans-58.5-37.5173.1-74.3168.6-173.8163.10112.8D41 E42 R49D41-K45 WeakPolarHBondContact O-CG 3.43Å; D41-K45 PolarHBondContact O-N 3.31Å; E42-K45 PolarHBondContact O-N 3.43Å; K45-R49 WeakPolarHBondContact O-CB 3.4Å; K45-R49 PolarHBondContact O-N 3.01Å
46L80.6Confident80.5Confident68 Ų68121 Ų12136%0.35656%0.564SS.*Hα-helixtrans-68.7-40.9176.8-17366.5000111.8E42 M43 E44 R50E42-L46 PolarHBondContact O-N 2.87Å; M43-L46 PolarHBondContact O-N 3.08Å; E44-L46 VanDerWaalsContact C-N 3.28Å; E44-L46 PolarHBondContact O-N 3.3Å; L46-R50 WeakPolarHBondContact O-CG 3.45Å; L46-R50 PolarHBondContact O-N 3.38Å; L46-R50 VanDerWaalsContact O-N 3.08Å
47K86.9Confident81.4Confident129 Ų129117 Ų11756%0.56155%0.554SS**Hα-helixtrans-62.4-45.3174-73.5168.8-176.9166.30110.9M43 E44 R50 M51M43-K47 WeakPolarHBondContact O-CG 3.43Å; M43-K47 PolarHBondContact O-N 2.86Å; E44-K47 WeakPolarHBondContact O-CB 3.36Å; E44-K47 PolarHBondContact O-N 2.89Å; E44-K47 VanDerWaalsContact O-N 3.14Å; K47-R50 PolarHBondContact O-N 3.18Å; K47-M51 WeakPolarHBondContact O-CB 3.34Å; K47-M51 PolarHBondContact O-N 2.88Å
48E87.2Confident82.4Confident130 Ų130114.9 Ų114.961%0.60755%0.551SS**Hα-helixtrans-60.2-48.9178-171.6176.4-155.600111.2E44 R50 M51 E52E44-E48 WeakPolarHBondContact O-CB 3.48Å; E44-E48 PolarHBondContact O-N 3.14Å; E48-R50 VanDerWaalsContact C-N 3.32Å; E48-R50 PolarHBondContact O-N 3Å; E48-M51 PolarHBondContact O-N 2.82Å; E48-M51 VanDerWaalsContact O-N 3.13Å; E48-E52 WeakPolarHBondContact O-CB 3.47Å; E48-E52 PolarHBondContact O-N 3.13Å
49R87.3Confident83.7Confident174 Ų174120.1 Ų120.166%0.65757%0.573SS**Hα-helixtrans-58.9-41.7177.2-171.9-177.9-64.8163.61.4112.6K45 A53K45-R49 WeakPolarHBondContact O-CB 3.4Å; K45-R49 PolarHBondContact O-N 3.01Å; R49-A53 WeakPolarHBondContact O-CB 3.42Å; R49-A53 PolarHBondContact O-N 3.33Å
50R87.9Confident84.8Confident169 Ų169118.9 Ų118.964%0.63856%0.563SS**Hα-helixtrans-66.2-43.3175.8-75.6-177.9177.9178.31.8111.5L46 K47 E48 E52 A53 L54L46-R50 WeakPolarHBondContact O-CG 3.45Å; L46-R50 PolarHBondContact O-N 3.38Å; L46-R50 VanDerWaalsContact O-N 3.08Å; K47-R50 PolarHBondContact O-N 3.18Å; E48-R50 VanDerWaalsContact C-N 3.32Å; E48-R50 PolarHBondContact O-N 3Å; R50-E52 VanDerWaalsContact C-N 3.34Å; R50-A53 PolarHBondContact O-N 3.44Å; R50-L54 WeakPolarHBondContact O-CB 3.42Å; R50-L54 WeakPolarHBondContact O-CD1 3.32Å; R50-L54 WeakPolarHBondContact O-CG 3.38Å; R50-L54 PolarHBondContact O-N 2.87Å
51M86.3Confident85.7Confident105 Ų105117.5 Ų117.552%0.51755%0.551SS.*Hα-helixtrans-62.7-42.2177.8-167.5-161-65.500111K47 E48 L54 K55K47-M51 WeakPolarHBondContact O-CB 3.34Å; K47-M51 PolarHBondContact O-N 2.88Å; E48-M51 PolarHBondContact O-N 2.82Å; E48-M51 VanDerWaalsContact O-N 3.13Å; M51-L54 PolarHBondContact O-N 3.31Å; M51-K55 HydrophobicContact CG-CD 4.29Å; M51-K55 WeakPolarHBondContact O-CB 3.46Å; M51-K55 VanDerWaalsContact O-CG 3.32Å; M51-K55 WeakPolarHBondContact O-CG 3.5Å; M51-K55 PolarHBondContact O-N 2.93Å; M51-K55 HydrophobicContact SD-CD 4.46Å; M51-K55 PolarHBondContact SD-NZ 2.59Å
52E90.3Very high86.6Confident133 Ų133119.3 Ų119.362%0.62156%0.556SS**Hα-helixtrans-65-44.7177.1-169-177.8-17100111.5E48 R50 L54 K55 K56E48-E52 WeakPolarHBondContact O-CB 3.47Å; E48-E52 PolarHBondContact O-N 3.13Å; R50-E52 VanDerWaalsContact C-N 3.34Å; E52-L54 VanDerWaalsContact C-N 3.34Å; E52-L54 PolarHBondContact O-N 3.47Å; E52-K55 PolarHBondContact O-N 3.11Å; E52-K56 VanDerWaalsContact O-CB 3.32Å; E52-K56 WeakPolarHBondContact O-CB 3.34Å; E52-K56 PolarHBondContact O-N 3.09Å
53A88.7Confident87.3Confident62 Ų62118.8 Ų118.851%0.51255%0.554SS.*Hα-helixtrans-60.1-43.1175.500000112.1R49 R50 K56 S57R49-A53 WeakPolarHBondContact O-CB 3.42Å; R49-A53 PolarHBondContact O-N 3.33Å; R50-A53 PolarHBondContact O-N 3.44Å; A53-K56 PolarHBondContact O-N 3.21Å; A53-S57 WeakPolarHBondContact O-CB 3.4Å; A53-S57 PolarHBondContact O-N 3.48Å
54L86.6Confident88.4Confident112 Ų112117.6 Ų117.659%0.58655%0.545SS*.Hα-helixtrans-61.8-49174.6-80.8159.9000111.6R50 M51 E52 K56 S57 Q58R50-L54 WeakPolarHBondContact O-CB 3.42Å; R50-L54 WeakPolarHBondContact O-CD1 3.32Å; R50-L54 WeakPolarHBondContact O-CG 3.38Å; R50-L54 PolarHBondContact O-N 2.87Å; M51-L54 PolarHBondContact O-N 3.31Å; E52-L54 VanDerWaalsContact C-N 3.34Å; E52-L54 PolarHBondContact O-N 3.47Å; L54-K56 VanDerWaalsContact C-N 3.33Å; L54-K56 PolarHBondContact O-N 2.93Å; L54-S57 PolarHBondContact O-N 3.4Å; L54-Q58 WeakPolarHBondContact O-CB 3.32Å; L54-Q58 WeakPolarHBondContact O-CG 3.41Å; L54-Q58 PolarHBondContact O-N 3.28Å
55K91.4Very high88.9Confident127 Ų127115.8 Ų115.855%0.55254%0.539SS*.Hα-helixtrans-58.9-43.5177-78.9174.9176.6174.60111.6M51 E52 Q58 K59M51-K55 HydrophobicContact CG-CD 4.29Å; M51-K55 WeakPolarHBondContact O-CB 3.46Å; M51-K55 VanDerWaalsContact O-CG 3.32Å; M51-K55 WeakPolarHBondContact O-CG 3.5Å; M51-K55 PolarHBondContact O-N 2.93Å; M51-K55 HydrophobicContact SD-CD 4.46Å; M51-K55 PolarHBondContact SD-NZ 2.59Å; E52-K55 PolarHBondContact O-N 3.11Å; K55-Q58 PolarHBondContact O-N 3.27Å; K55-K59 WeakPolarHBondContact O-CB 3.38Å; K55-K59 PolarHBondContact O-N 3.14Å
56K91.3Very high89.2Confident156 Ų156114.3 Ų114.368%0.67855%0.545SS*.Hα-helixtrans-64.3-45.9178.8-173.3176.7-179.8178.20111.7E52 A53 L54 K59 Q60E52-K56 VanDerWaalsContact O-CB 3.32Å; E52-K56 WeakPolarHBondContact O-CB 3.34Å; E52-K56 PolarHBondContact O-N 3.09Å; A53-K56 PolarHBondContact O-N 3.21Å; L54-K56 VanDerWaalsContact C-N 3.33Å; L54-K56 PolarHBondContact O-N 2.93Å; K56-K59 PolarHBondContact O-N 3.04Å; K56-Q60 WeakPolarHBondContact O-CB 3.28Å; K56-Q60 PolarHBondContact O-N 2.87Å
57S86.3Confident89.6Confident72 Ų72114 Ų11450%0.50354%0.541SS..Hα-helixtrans-63.4-42177179.50000111.9A53 L54 Q60 K61A53-S57 WeakPolarHBondContact O-CB 3.4Å; A53-S57 PolarHBondContact O-N 3.48Å; L54-S57 PolarHBondContact O-N 3.4Å; S57-Q60 PolarHBondContact O-N 3.27Å; S57-K61 WeakPolarHBondContact O-CB 3.42Å; S57-K61 PolarHBondContact O-N 3.36Å
58Q89.6Confident89.8Confident133 Ų133109.2 Ų109.262%0.62153%0.527SS*.Hα-helixtrans-62.6-46.2174.9-76.6-176.7-28.200112.1L54 K55 Q60 K61 Q62L54-Q58 WeakPolarHBondContact O-CB 3.32Å; L54-Q58 WeakPolarHBondContact O-CG 3.41Å; L54-Q58 PolarHBondContact O-N 3.28Å; K55-Q58 PolarHBondContact O-N 3.27Å; Q58-Q60 VanDerWaalsContact C-N 3.35Å; Q58-Q60 PolarHBondContact O-N 3.44Å; Q58-K61 PolarHBondContact O-N 3.42Å; Q58-Q62 WeakPolarHBondContact O-CB 3.4Å; Q58-Q62 PolarHBondContact O-N 2.87Å
59K92.3Very high90.1Very high156 Ų156103.2 Ų103.268%0.67850%0.499SS*.Hα-helixtrans-60.3-45.1177.4-175.1179.1177.7-179.40111.5K55 K56 Q62 E63K55-K59 WeakPolarHBondContact O-CB 3.38Å; K55-K59 PolarHBondContact O-N 3.14Å; K56-K59 PolarHBondContact O-N 3.04Å; K59-Q62 PolarHBondContact O-N 3.17Å; K59-E63 PolarHBondContact O-N 2.95Å
60Q91.1Very high90.3Very high91 Ų9195.5 Ų95.543%0.42547%0.474SS..Hα-helixtrans-62.2-44.8177.4-176.1175.137.600111.6K56 S57 Q58 Q62 E63 W64K56-Q60 WeakPolarHBondContact O-CB 3.28Å; K56-Q60 PolarHBondContact O-N 2.87Å; S57-Q60 PolarHBondContact O-N 3.27Å; Q58-Q60 VanDerWaalsContact C-N 3.35Å; Q58-Q60 PolarHBondContact O-N 3.44Å; Q60-Q62 VanDerWaalsContact C-N 3.3Å; Q60-Q62 PolarHBondContact O-N 2.83Å; Q60-E63 WeakPolarHBondContact O-CB 3.45Å; Q60-E63 PolarHBondContact O-N 3.41Å; Q60-W64 VanDerWaalsContact CD-CH2 3.46Å; Q60-W64 HydrophobicContact CG-CD2 4.03Å; Q60-W64 HydrophobicContact CG-CE3 4.25Å; Q60-W64 HydrophobicContact CG-CH2 3.71Å; Q60-W64 HydrophobicContact CG-CZ2 3.47Å; Q60-W64 VanDerWaalsContact CG-CZ2 3.47Å; Q60-W64 HydrophobicContact CG-CZ3 4.1Å; Q60-W64 VanDerWaalsContact NE2-CZ2 3.29Å; Q60-W64 PolarHBondContact O-N 3.39Å
61K89.7Confident90.6Very high107 Ų10793.8 Ų93.847%0.46547%0.473SS..Hα-helixtrans-60.8-40175.4179.8168.1169.8162.60111.9S57 Q58 W64 L65 L118S57-K61 WeakPolarHBondContact O-CB 3.42Å; S57-K61 PolarHBondContact O-N 3.36Å; Q58-K61 PolarHBondContact O-N 3.42Å; K61-W64 PolarHBondContact O-N 3.31Å; K61-L65 HydrophobicContact CG-CD1 4.28Å; K61-L65 VanDerWaalsContact O-CG 3.31Å; K61-L65 WeakPolarHBondContact O-CG 3.48Å; K61-L65 PolarHBondContact O-N 3.29Å; K61-L118 HydrophobicContact CD-CD1 3.8Å; K61-L118 HydrophobicContact CG-CD1 3.76Å
62Q92.1Very high91.1Very high144 Ų14491 Ų9167%0.67346%0.457SS*.Hα-helixtrans-68.3-37.4176.7-170.2149.134.200112.3Q58 K59 Q60 L65 S66Q58-Q62 WeakPolarHBondContact O-CB 3.4Å; Q58-Q62 PolarHBondContact O-N 2.87Å; K59-Q62 PolarHBondContact O-N 3.17Å; Q60-Q62 VanDerWaalsContact C-N 3.3Å; Q60-Q62 PolarHBondContact O-N 2.83Å; Q62-L65 PolarHBondContact O-N 3.43Å; Q62-S66 PolarHBondContact O-N 3.07Å; Q62-S66 PolarHBondContact O-OG 3.15Å
63E92.9Very high91.3Very high88 Ų8890.7 Ų90.741%0.41145%0.453SS..Hα-helixtrans-62.1-46172.8-173.8-177.4165.800111.1K59 Q60 L65 S66 K67K59-E63 PolarHBondContact O-N 2.95Å; Q60-E63 WeakPolarHBondContact O-CB 3.45Å; Q60-E63 PolarHBondContact O-N 3.41Å; E63-L65 PolarHBondContact O-N 2.97Å; E63-S66 WeakPolarHBondContact CA-OG 3.42Å; E63-S66 PolarHBondContact O-N 3.23Å; E63-S66 PolarHBondContact O-OG 2.87Å; E63-K67 HydrophobicContact CG-CD 4.36Å; E63-K67 WeakPolarHBondContact O-CG 3.27Å; E63-K67 PolarHBondContact O-N 2.88Å; E63-K67 VanDerWaalsContact OE1-CE 3.28Å; E63-K67 WeakPolarHBondContact OE1-CE 3.3Å; E63-K67 IonicContact OE1-NZ 2.59Å; E63-K67 PolarHBondContact OE1-NZ 3.11Å
64W93.3Very high91.6Very high55 Ų5590.9 Ų90.921%0.20844%0.444CS..Hα-helixtrans-58.7-45.9175.2-69.2-31.4000112.3Q60 K61 S66 K67 G68 H69 L118 E119Q60-W64 VanDerWaalsContact CD-CH2 3.46Å; Q60-W64 HydrophobicContact CG-CD2 4.03Å; Q60-W64 HydrophobicContact CG-CE3 4.25Å; Q60-W64 HydrophobicContact CG-CH2 3.71Å; Q60-W64 HydrophobicContact CG-CZ2 3.47Å; Q60-W64 VanDerWaalsContact CG-CZ2 3.47Å; Q60-W64 HydrophobicContact CG-CZ3 4.1Å; Q60-W64 VanDerWaalsContact NE2-CZ2 3.29Å; Q60-W64 PolarHBondContact O-N 3.39Å; K61-W64 PolarHBondContact O-N 3.31Å; W64-S66 VanDerWaalsContact C-N 3.34Å; W64-S66 PolarHBondContact O-N 3.49Å; W64-K67 CarbonylContact O-C 3.5Å; W64-K67 PolarHBondContact O-N 3.15Å; W64-K67 VanDerWaalsContact O-N 3.13Å; W64-G68 PolarHBondContact O-N 3.4Å; W64-H69 HydrophobicContact CB-CB 3.88Å; W64-H69 VanDerWaalsContact O-CB 3.27Å; W64-H69 WeakPolarHBondContact O-CB 3.26Å; W64-H69 PolarHBondContact O-CD2 3.49Å; W64-H69 VanDerWaalsContact O-CD2 3.23Å; W64-H69 PolarHBondContact O-N 3.04Å; W64-L118 WeakPolarHBondContact CB-O 3.26Å; W64-L118 HydrophobicContact CE3-CB 4.12Å; W64-E119 HydrophobicContact CE3-CB 4.48Å; W64-E119 HydrophobicContact CH2-CB 3.59Å; W64-E119 HydrophobicContact CZ2-CB 3.83Å; W64-E119 HydrophobicContact CZ3-CB 3.94Å
65L91.1Very high92Very high91 Ų9185.8 Ų85.848%0.47642%0.417SS..Hα-helixtrans-61-41.5175.4-71167.3000112K61 Q62 E63 K67 G68 L118K61-L65 HydrophobicContact CG-CD1 4.28Å; K61-L65 VanDerWaalsContact O-CG 3.31Å; K61-L65 WeakPolarHBondContact O-CG 3.48Å; K61-L65 PolarHBondContact O-N 3.29Å; Q62-L65 PolarHBondContact O-N 3.43Å; E63-L65 PolarHBondContact O-N 2.97Å; L65-K67 PolarHBondContact O-N 3.11Å; L65-G68 PolarHBondContact O-N 2.8Å; L65-L118 HydrophobicContact CD2-CD2 4.22Å
66S90.9Very high92Very high99 Ų9983.8 Ų83.869%0.69242%0.417SS*.Hα-helixtrans-64.2-29176.168.50000113.3Q62 E63 W64 G68Q62-S66 PolarHBondContact O-N 3.07Å; Q62-S66 PolarHBondContact O-OG 3.15Å; E63-S66 WeakPolarHBondContact CA-OG 3.42Å; E63-S66 PolarHBondContact O-N 3.23Å; E63-S66 PolarHBondContact O-OG 2.87Å; W64-S66 VanDerWaalsContact C-N 3.34Å; W64-S66 PolarHBondContact O-N 3.49Å; S66-G68 PolarHBondContact O-N 3.17Å
67K89.4Confident92Very high62 Ų6278.2 Ų78.227%0.2740%0.398SS..THydrogen-bonded Turntrans-83.65.2174-68.4175.9-175.8176.50112.4E63 W64 L65 E87 K121E63-K67 HydrophobicContact CG-CD 4.36Å; E63-K67 WeakPolarHBondContact O-CG 3.27Å; E63-K67 PolarHBondContact O-N 2.88Å; E63-K67 VanDerWaalsContact OE1-CE 3.28Å; E63-K67 WeakPolarHBondContact OE1-CE 3.3Å; E63-K67 IonicContact OE1-NZ 2.59Å; E63-K67 PolarHBondContact OE1-NZ 3.11Å; W64-K67 CarbonylContact O-C 3.5Å; W64-K67 PolarHBondContact O-N 3.15Å; W64-K67 VanDerWaalsContact O-N 3.13Å; L65-K67 PolarHBondContact O-N 3.11Å; K67-E87 PolarHBondContact NZ-O 3.43Å; K67-K121 PolarHBondContact O-NZ 3.15Å
68G89.6Confident92.3Very high27 Ų2776.6 Ų76.628%0.27838%0.382SS..THydrogen-bonded Turntrans74.325.5179.300000114.5W64 L65 S66W64-G68 PolarHBondContact O-N 3.4Å; L65-G68 PolarHBondContact O-N 2.8Å; S66-G68 PolarHBondContact O-N 3.17Å
69H93.5Very high92.4Very high5 Ų577.8 Ų77.82%0.02339%0.385CS..THydrogen-bonded Turntrans-74.5156.4164.6-64.2-126.4000109.3W64 S88 L118W64-H69 HydrophobicContact CB-CB 3.88Å; W64-H69 VanDerWaalsContact O-CB 3.27Å; W64-H69 WeakPolarHBondContact O-CB 3.26Å; W64-H69 PolarHBondContact O-CD2 3.49Å; W64-H69 VanDerWaalsContact O-CD2 3.23Å; W64-H69 PolarHBondContact O-N 3.04Å; H69-S88 PolarHBondContact CE1-OG 2.94Å; H69-S88 PolarHBondContact NE2-OG 3.37Å; H69-L118 WeakPolarHBondContact CB-O 3.24Å; H69-L118 PolarHBondContact ND1-O 3.22Å; H69-L118 VanDerWaalsContact ND1-O 3.15Å
70G92.3Very high92.4Very high11 Ų1173.7 Ų73.711%0.11337%0.371CS..THydrogen-bonded Turntrans96.1-11.5-175.400000114.8A114 K115G70-A114 WeakPolarHBondContact CA-O 3.24Å; G70-A114 CarbonylContact O-C 3.6Å; G70-K115 WeakPolarHBondContact O-CG 3.45Å
71E94.1Very high92.5Very high133 Ų13369.9 Ų69.962%0.62135%0.353SS*.SBendtrans-121.6151.9-179.9-60.9-174.6167.400110.6
72Y96.3Very high92.6Very high48 Ų4869.9 Ų69.919%0.18835%0.353CS..EExtended strand (participates in β ladder)trans-102.6104.8172.4178.9-124.6000108.7H94 D107 L110 F122 K124Y72-H94 PolarHBondContact OH-CD2 3.23Å; Y72-H94 VanDerWaalsContact OH-CD2 3.26Å; Y72-D107 HydrophobicContact CE1-CB 4.03Å; Y72-D107 WeakPolarHBondContact CE1-OD1 3.35Å; Y72-D107 VanDerWaalsContact CZ-OD1 3.29Å; Y72-D107 PolarHBondContact OH-OD1 2.71Å; Y72-L110 HydrophobicContact CD2-CB 4.07Å; Y72-L110 HydrophobicContact CE1-CB 4.49Å; Y72-L110 HydrophobicContact CE2-CB 3.92Å; Y72-L110 HydrophobicContact CE2-CD1 3.79Å; Y72-L110 HydrophobicContact CG-CB 4.39Å; Y72-F122 HydrophobicContact CD2-CB 3.98Å; Y72-K124 HydrophobicContact CE1-CD 3.86Å; Y72-K124 HydrophobicContact CE1-CG 4.46Å; Y72-K124 HydrophobicContact CE2-CB 3.87Å; Y72-K124 HydrophobicContact CE2-CG 4.38Å; Y72-K124 VanDerWaalsContact OH-CB 3.32Å; Y72-K124 WeakPolarHBondContact OH-CB 3.42Å
73K94.4Very high92.7Very high125 Ų12565.9 Ų65.954%0.54334%0.339SS..EExtended strand (participates in β ladder)trans-115.3141.9-170.2-174.2178.7175.2-172.70112.1F122 I123 K124K73-F122 PolarHBondContact N-O 2.94Å; K73-I123 CarbonylContact O-C 3.54Å; K73-I123 VanDerWaalsContact O-CA 3.31Å; K73-I123 WeakPolarHBondContact O-CA 3.47Å; K73-K124 PolarHBondContact O-N 2.88Å
74E95.3Very high92.7Very high67 Ų6763 Ų6331%0.31333%0.326SS..EExtended strand (participates in β ladder)trans-81.1133.2168.1-172.2177.5153.800111Y96 K124 K129E74-Y96 HydrophobicContact CG-CE1 4.4Å; E74-Y96 PolarHBondContact OE1-OH 3.37Å; E74-Y96 PolarHBondContact OE2-OH 2.81Å; E74-Y96 VanDerWaalsContact OE2-OH 3.04Å; E74-K124 WeakPolarHBondContact CA-O 3.3Å; E74-K124 HydrophobicContact CB-CD 4.36Å; E74-K124 HydrophobicContact CB-CG 3.81Å; E74-K124 HydrophobicContact CG-CG 4.07Å; E74-K129 IonicContact OE1-NZ 3.18Å; E74-K129 PolarHBondContact OE1-NZ 2.88Å
75I94.8Very high92.6Very high5 Ų561.2 Ų61.23%0.02632%0.321CS..EExtended strand (participates in β ladder)trans-93.1129.3169.7-60-174.8000108.7S77 D80 E84 I123 K124 L125I75-S77 WeakPolarHBondContact CG2-O 3.48Å; I75-D80 HydrophobicContact CG2-CB 3.35Å; I75-E84 HydrophobicContact CD1-CB 4.23Å; I75-E84 HydrophobicContact CD1-CG 3.78Å; I75-I123 HydrophobicContact CD1-CB 3.87Å; I75-I123 HydrophobicContact CD1-CD1 3.42Å; I75-I123 VanDerWaalsContact CD1-CD1 3.42Å; I75-I123 HydrophobicContact CD1-CG1 4.17Å; I75-I123 HydrophobicContact CD1-CG2 4.01Å; I75-I123 HydrophobicContact CG1-CB 4.09Å; I75-I123 HydrophobicContact CG1-CG2 4.23Å; I75-K124 PolarHBondContact N-O 3.41Å; I75-L125 HydrophobicContact CB-CD1 4.26Å; I75-L125 HydrophobicContact CG2-CD1 4.4Å; I75-L125 WeakPolarHBondContact O-CD1 3.02Å
76P91.1Very high92.7Very high84 Ų8465.8 Ų65.855%0.54534%0.337SS..SBendtrans-75.7-27.4-174.329.4-33.6000113.5D80 K129P76-D80 WeakPolarHBondContact CG-OD2 3.31Å; P76-K129 WeakPolarHBondContact O-CD 3.42Å
77S91.9Very high92.7Very high39 Ų3966 Ų6627%0.27333%0.327SS..SBendtrans-139.7151.9-177.4-175.70000112.5I75 K79 D80I75-S77 WeakPolarHBondContact CG2-O 3.48Å; S77-K79 PolarHBondContact O-N 3.43Å; S77-K79 PolarHBondContact OG-N 3.26Å; S77-D80 PolarHBondContact O-N 2.79Å
78E92.1Very high92.9Very high39 Ų3963.2 Ų63.218%0.18232%0.316CS..Hα-helixtrans-59.7-23.1171.258.9-178.8-168.700114.7D80 F81 A130 F132 L133E78-D80 VanDerWaalsContact C-N 3.27Å; E78-D80 PolarHBondContact O-N 3.02Å; E78-F81 VanDerWaalsContact O-CB 3.3Å; E78-F81 WeakPolarHBondContact O-CB 3.28Å; E78-F81 PolarHBondContact O-N 3.29Å; E78-A130 HydrophobicContact CB-CB 3.8Å; E78-A130 VanDerWaalsContact OE2-CA 3.25Å; E78-A130 WeakPolarHBondContact OE2-CA 3.39Å; E78-F132 WeakPolarHBondContact OE1-CB 3.27Å; E78-F132 WeakPolarHBondContact OE2-CA 3.31Å; E78-F132 VanDerWaalsContact OE2-CB 3.29Å; E78-F132 WeakPolarHBondContact OE2-CB 3.34Å; E78-F132 PolarHBondContact OE2-N 3.39Å; E78-L133 HydrophobicContact CB-CB 4.49Å; E78-L133 HydrophobicContact CB-CD1 3.53Å; E78-L133 HydrophobicContact CB-CG 3.93Å; E78-L133 PolarHBondContact OE2-N 3.13Å
79K92.1Very high93Very high158 Ų15867.3 Ų67.369%0.68733%0.331SS*.Hα-helixtrans-65.1-35.1176.5-67.8-176.8-179.4178.60112.1S77 F81 P83S77-K79 PolarHBondContact O-N 3.43Å; S77-K79 PolarHBondContact OG-N 3.26Å; K79-F81 VanDerWaalsContact C-N 3.25Å; K79-F81 PolarHBondContact O-N 2.88Å; K79-P83 WeakPolarHBondContact O-CD 3.4Å
80D92.9Very high93.1Very high69 Ų6969 Ų6937%0.36934%0.337SS..Hα-helixtrans-77.4-14-177.7-59.4-35.4000111.9I75 P76 S77 E78 F82 P83 E84I75-D80 HydrophobicContact CG2-CB 3.35Å; P76-D80 WeakPolarHBondContact CG-OD2 3.31Å; S77-D80 PolarHBondContact O-N 2.79Å; E78-D80 VanDerWaalsContact C-N 3.27Å; E78-D80 PolarHBondContact O-N 3.02Å; D80-F82 PolarHBondContact O-N 3.38Å; D80-P83 WeakPolarHBondContact O-CD 3.41Å; D80-E84 WeakPolarHBondContact O-CG 3.38Å; D80-E84 PolarHBondContact O-N 2.81Å
81F93.2Very high93.3Very high12 Ų1268.4 Ų68.45%0.05333%0.332CS..Hα-helixtrans-63.3-39.5174.6176.5-98.1000112.9E78 K79 E84 V85 C93 I123 L133 V148E78-F81 VanDerWaalsContact O-CB 3.3Å; E78-F81 WeakPolarHBondContact O-CB 3.28Å; E78-F81 PolarHBondContact O-N 3.29Å; K79-F81 VanDerWaalsContact C-N 3.25Å; K79-F81 PolarHBondContact O-N 2.88Å; F81-E84 PolarHBondContact O-N 2.79Å; F81-V85 HydrophobicContact CD1-CG2 4.2Å; F81-V85 HydrophobicContact CD2-CG2 4.35Å; F81-V85 HydrophobicContact CE1-CG2 3.75Å; F81-V85 HydrophobicContact CE2-CG2 3.9Å; F81-V85 HydrophobicContact CG-CG2 4.49Å; F81-V85 HydrophobicContact CZ-CG2 3.58Å; F81-V85 WeakPolarHBondContact O-CG2 3.47Å; F81-V85 PolarHBondContact O-N 2.88Å; F81-C93 HydrophobicContact CD2-CB 4.46Å; F81-C93 HydrophobicContact CE2-CB 3.7Å; F81-I123 HydrophobicContact CD2-CD1 3.92Å; F81-I123 HydrophobicContact CE2-CD1 4.12Å; F81-L133 HydrophobicContact CB-CD1 3.58Å; F81-L133 HydrophobicContact CD1-CD1 3.71Å; F81-L133 HydrophobicContact CD1-CD2 3.81Å; F81-L133 HydrophobicContact CD1-CG 4.46Å; F81-L133 HydrophobicContact CD2-CD1 4.28Å; F81-L133 HydrophobicContact CE1-CD1 4.47Å; F81-L133 HydrophobicContact CE1-CD2 4.05Å; F81-L133 HydrophobicContact CG-CD1 3.6Å; F81-V148 HydrophobicContact CZ-CG2 4.45Å
82F92.1Very high93.4Very high106 Ų10662.1 Ų62.147%0.46530%0.303SS..Hα-helixtrans-69.5-44.9-175.4-59.4-83.1000113.6D80 E84 V85 K86 F132 L133D80-F82 PolarHBondContact O-N 3.38Å; F82-E84 PolarHBondContact O-N 3.2Å; F82-V85 PolarHBondContact O-N 3.47Å; F82-K86 VanDerWaalsContact O-CB 3.31Å; F82-K86 WeakPolarHBondContact O-CB 3.46Å; F82-K86 PolarHBondContact O-N 3.06Å; F82-F132 HydrophobicContact CZ-CE1 4.15Å; F82-L133 HydrophobicContact CE1-CD2 4.32Å; F82-L133 HydrophobicContact CE2-CD2 4.31Å; F82-L133 HydrophobicContact CZ-CD2 3.74Å
83P93.2Very high93.5Very high60 Ų6059.9 Ų59.939%0.3929%0.294SS..Hα-helixtrans-53-44.6169.3-26.833.5000112.1K79 D80 V85 K86 E87K79-P83 WeakPolarHBondContact O-CD 3.4Å; D80-P83 WeakPolarHBondContact O-CD 3.41Å; P83-V85 PolarHBondContact O-N 2.69Å; P83-K86 PolarHBondContact O-N 2.74Å; P83-E87 WeakPolarHBondContact O-CB 3.36Å; P83-E87 WeakPolarHBondContact O-CG 3.45Å; P83-E87 PolarHBondContact O-N 3.46Å
84E92.4Very high93.6Very high29 Ų2953.9 Ų53.914%0.13627%0.268CS..Hα-helixtrans-64-41.6-176-69.1-70.5-164.700113.3I75 D80 F81 F82 K86 S88 K121 I123I75-E84 HydrophobicContact CD1-CB 4.23Å; I75-E84 HydrophobicContact CD1-CG 3.78Å; D80-E84 WeakPolarHBondContact O-CG 3.38Å; D80-E84 PolarHBondContact O-N 2.81Å; F81-E84 PolarHBondContact O-N 2.79Å; F82-E84 PolarHBondContact O-N 3.2Å; E84-K86 VanDerWaalsContact C-N 3.33Å; E84-S88 WeakPolarHBondContact O-CB 3.17Å; E84-S88 PolarHBondContact O-N 3.46Å; E84-S88 PolarHBondContact O-OG 3.05Å; E84-K121 IonicContact OE1-NZ 3.75Å; E84-K121 PolarHBondContact OE1-NZ 2.9Å; E84-K121 VanDerWaalsContact OE1-NZ 3.12Å; E84-K121 WeakPolarHBondContact OE2-CD 3.38Å; E84-K121 WeakPolarHBondContact OE2-CE 3.41Å; E84-K121 IonicContact OE2-NZ 3.84Å; E84-K121 PolarHBondContact OE2-NZ 3.47Å; E84-I123 HydrophobicContact CB-CD1 4.48Å
85V92.4Very high93.6Very high17 Ų1750.7 Ų50.710%0.10325%0.253CS..Hα-helixtrans-70-28.6173.6169.90000112.6F81 F82 P83 V91 V148F81-V85 HydrophobicContact CD1-CG2 4.2Å; F81-V85 HydrophobicContact CD2-CG2 4.35Å; F81-V85 HydrophobicContact CE1-CG2 3.75Å; F81-V85 HydrophobicContact CE2-CG2 3.9Å; F81-V85 HydrophobicContact CG-CG2 4.49Å; F81-V85 HydrophobicContact CZ-CG2 3.58Å; F81-V85 WeakPolarHBondContact O-CG2 3.47Å; F81-V85 PolarHBondContact O-N 2.88Å; F82-V85 PolarHBondContact O-N 3.47Å; P83-V85 PolarHBondContact O-N 2.69Å; V85-V91 HydrophobicContact CG2-CB 4.35Å; V85-V91 HydrophobicContact CG2-CG1 4.28Å; V85-V91 HydrophobicContact CG2-CG2 4.38Å; V85-V148 HydrophobicContact CG1-CG1 3.61Å; V85-V148 HydrophobicContact CG2-CG1 4.34Å
86K92.1Very high93.7Very high186 Ų18650.7 Ų50.781%0.80925%0.253SS*.Hα-helixtrans-80.4-35.4-179.7-172.4179.3178.7-175.70112.5F82 P83 E84 S88F82-K86 VanDerWaalsContact O-CB 3.31Å; F82-K86 WeakPolarHBondContact O-CB 3.46Å; F82-K86 PolarHBondContact O-N 3.06Å; P83-K86 PolarHBondContact O-N 2.74Å; E84-K86 VanDerWaalsContact C-N 3.33Å; K86-S88 VanDerWaalsContact C-N 3.34Å
87E91.9Very high93.8Very high103 Ų10351.5 Ų51.548%0.48124%0.244SC..Hα-helixtrans-78.9-20.4-178.3-72.3179.3178.800113.4K67 P83K67-E87 PolarHBondContact NZ-O 3.43Å; P83-E87 WeakPolarHBondContact O-CB 3.36Å; P83-E87 WeakPolarHBondContact O-CG 3.45Å; P83-E87 PolarHBondContact O-N 3.46Å
88S92.8Very high93.7Very high4 Ų454.7 Ų54.73%0.02826%0.259CS..  trans-125.6129.1-172.4-57.30000111.6H69 E84 K86 R90H69-S88 PolarHBondContact CE1-OG 2.94Å; H69-S88 PolarHBondContact NE2-OG 3.37Å; E84-S88 WeakPolarHBondContact O-CB 3.17Å; E84-S88 PolarHBondContact O-N 3.46Å; E84-S88 PolarHBondContact O-OG 3.05Å; K86-S88 VanDerWaalsContact C-N 3.34Å; S88-R90 VanDerWaalsContact C-N 3.31Å; S88-R90 PolarHBondContact O-N 3.1Å
89N92.9Very high93.6Very high114 Ų11457.7 Ų57.761%0.6128%0.284SS*.SBendtrans-68.6-30.6-177.7-63.16.9000112.9K149 D150N89-K149 CarbonylContact O-C 3.58Å; N89-K149 VanDerWaalsContact O-CA 3.26Å; N89-K149 WeakPolarHBondContact O-CA 3.16Å; N89-D150 PolarHBondContact O-N 2.86Å
90R95.4Very high93.5Very high39 Ų3952 Ų5215%0.14726%0.262CS..EExtended strand (participates in β ladder)trans-127.1122.2-177.5-66162.2178-113.91.4108.2S88 T120 K121 K149 D182 V183 I184 N185S88-R90 VanDerWaalsContact C-N 3.31Å; S88-R90 PolarHBondContact O-N 3.1Å; R90-T120 HydrophobicContact CB-CG2 4.09Å; R90-K121 PolarHBondContact O-N 2.86Å; R90-K149 HydrophobicContact CG-CG 4.41Å; R90-D182 IonicContact CZ-OD1 3.68Å; R90-D182 PolarHBondContact NH1-O 2.9Å; R90-D182 IonicContact NH1-OD1 3.05Å; R90-D182 IonicContact NH2-OD1 3.53Å; R90-D182 PolarHBondContact NH2-OD1 3.17Å; R90-V183 WeakPolarHBondContact CB-O 3.31Å; R90-V183 VanDerWaalsContact CD-O 3.24Å; R90-V183 WeakPolarHBondContact CD-O 3.49Å; R90-V183 WeakPolarHBondContact CG-O 3.48Å; R90-V183 VanDerWaalsContact NH1-C 3.33Å; R90-V183 PolarHBondContact NH1-O 3.31Å; R90-I184 VanDerWaalsContact NH1-C 3.28Å; R90-I184 PolarHBondContact NH1-O 2.85Å; R90-N185 PolarHBondContact NH1-OD1 3Å
91V96.1Very high93.4Very high0 Ų055.1 Ų55.10%027%0.273CS..EExtended strand (participates in β ladder)trans-135.5131.1-179.5-177.20000109.8V85 K121 I123 V148V85-V91 HydrophobicContact CG2-CB 4.35Å; V85-V91 HydrophobicContact CG2-CG1 4.28Å; V85-V91 HydrophobicContact CG2-CG2 4.38Å; V91-K121 CarbonylContact C-O 3.53Å; V91-K121 WeakPolarHBondContact CA-O 3.47Å; V91-K121 HydrophobicContact CG2-CB 4.22Å; V91-I123 HydrophobicContact CG1-CD1 3.56Å; V91-I123 HydrophobicContact CG1-CG1 3.84Å; V91-V148 HydrophobicContact CB-CB 4.33Å; V91-V148 PolarHBondContact N-O 2.6Å; V91-V148 PolarHBondContact O-N 2.51Å
92V96.9Very high93.3Very high1 Ų159.2 Ų59.21%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-111.4116.2170.7176.50000107.5L110 T120 K121 F122 I123 L147 L178 V183V92-L110 HydrophobicContact CG1-CD2 4.34Å; V92-T120 HydrophobicContact CB-CG2 4.49Å; V92-T120 HydrophobicContact CG2-CG2 3.7Å; V92-K121 PolarHBondContact N-O 2.89Å; V92-F122 HydrophobicContact CB-CD1 3.81Å; V92-F122 HydrophobicContact CB-CE1 3.98Å; V92-F122 HydrophobicContact CG1-CD1 4.07Å; V92-F122 HydrophobicContact CG1-CE1 4.21Å; V92-F122 HydrophobicContact CG2-CD1 4.36Å; V92-F122 HydrophobicContact CG2-CE1 4.03Å; V92-I123 WeakPolarHBondContact O-CG1 3.39Å; V92-I123 PolarHBondContact O-N 3.42Å; V92-L147 HydrophobicContact CB-CD2 4.44Å; V92-L147 HydrophobicContact CG1-CD2 3.91Å; V92-L147 HydrophobicContact CG2-CD2 4.01Å; V92-L178 HydrophobicContact CG1-CD2 4.26Å; V92-L178 HydrophobicContact CG2-CD2 4.14Å; V92-V183 HydrophobicContact CG2-CB 4.49Å; V92-V183 HydrophobicContact CG2-CG2 4.07Å
93C96.6Very high93.4Very high0 Ų054.3 Ų54.30%027%0.267CS..EExtended strand (participates in β ladder)trans-111.2116.8-179.4-173.50000111.7F81 F95 I123 L145 A146F81-C93 HydrophobicContact CD2-CB 4.46Å; F81-C93 HydrophobicContact CE2-CB 3.7Å; C93-F95 HydrophobicContact CB-CE2 4.24Å; C93-I123 WeakPolarHBondContact CA-O 3.14Å; C93-I123 HydrophobicContact CB-CD1 3.93Å; C93-I123 HydrophobicContact CB-CG1 3.84Å; C93-L145 CarbonylContact O-C 3.54Å; C93-L145 WeakPolarHBondContact O-CA 3.41Å; C93-A146 HydrophobicContact CB-CB 4.49Å; C93-A146 PolarHBondContact N-O 3.43Å; C93-A146 PolarHBondContact O-N 3.41Å
94H97Very high93.4Very high0 Ų057.1 Ų57.10%027%0.273CS..EExtended strand (participates in β ladder)trans-85.7110.4172.5-176.1-15.2000110.7Y72 Y96 D107 L110 I123 K124 L125 P143 L145Y72-H94 PolarHBondContact OH-CD2 3.23Å; Y72-H94 VanDerWaalsContact OH-CD2 3.26Å; H94-Y96 WeakPolarHBondContact CE1-CB 3.35Å; H94-Y96 PolarHBondContact O-N 3Å; H94-D107 IonicContact CD2-OD1 2.8Å; H94-L110 HydrophobicContact CB-CD1 3.83Å; H94-I123 PolarHBondContact N-O 3.22Å; H94-K124 HydrophobicContact CB-CB 4.07Å; H94-K124 CarbonylContact O-C 3.56Å; H94-K124 VanDerWaalsContact O-CA 3.3Å; H94-K124 WeakPolarHBondContact O-CA 3.23Å; H94-L125 PolarHBondContact O-N 3.24Å; H94-P143 WeakPolarHBondContact CE1-CB 3.39Å; H94-L145 HydrophobicContact CB-CD2 3.59Å
95F96.3Very high93.4Very high0 Ų056.6 Ų56.60%027%0.271CS..EExtended strand (participates in β ladder)trans-81.1113.6166.4-69.8-87.1000109.2C93 L125 V127 L133 T134 L137 I139 I142 T144 A146C93-F95 HydrophobicContact CB-CE2 4.24Å; F95-L125 WeakPolarHBondContact CA-O 3.49Å; F95-L125 HydrophobicContact CE1-CD2 3.93Å; F95-V127 HydrophobicContact CB-CG1 3.91Å; F95-V127 HydrophobicContact CD1-CG1 4.29Å; F95-L133 HydrophobicContact CE1-CB 4.15Å; F95-L133 HydrophobicContact CZ-CB 4.49Å; F95-T134 HydrophobicContact CD1-CG2 4.01Å; F95-T134 HydrophobicContact CE1-CG2 4.38Å; F95-L137 HydrophobicContact CE2-CD1 3.96Å; F95-L137 HydrophobicContact CZ-CD1 3.59Å; F95-I139 HydrophobicContact CB-CG2 4.08Å; F95-I139 HydrophobicContact CD1-CG1 4.4Å; F95-I139 HydrophobicContact CD2-CD1 4.1Å; F95-I139 HydrophobicContact CD2-CG1 4.21Å; F95-I139 HydrophobicContact CE2-CD1 4.36Å; F95-I139 HydrophobicContact CE2-CG1 4.45Å; F95-I139 HydrophobicContact CG-CG1 4.19Å; F95-I139 HydrophobicContact CG-CG2 4.39Å; F95-I142 HydrophobicContact CB-CD1 4.27Å; F95-T144 PolarHBondContact N-O 3.39Å; F95-T144 PolarHBondContact O-N 3.32Å; F95-A146 HydrophobicContact CD2-CB 4.26Å; F95-A146 HydrophobicContact CE2-CB 3.69Å
96Y95.5Very high93.5Very high5 Ų555.9 Ų55.92%0.0227%0.266CS..EExtended strand (participates in β ladder)trans-129.4163.6-171.485.7-83.3000112.3E74 H94 D98 K124 L125 N126 V127E74-Y96 HydrophobicContact CG-CE1 4.4Å; E74-Y96 PolarHBondContact OE1-OH 3.37Å; E74-Y96 PolarHBondContact OE2-OH 2.81Å; E74-Y96 VanDerWaalsContact OE2-OH 3.04Å; H94-Y96 WeakPolarHBondContact CE1-CB 3.35Å; H94-Y96 PolarHBondContact O-N 3Å; Y96-D98 WeakPolarHBondContact CE2-OD1 3.46Å; Y96-K124 HydrophobicContact CD1-CB 3.94Å; Y96-K124 HydrophobicContact CD1-CD 4.08Å; Y96-K124 HydrophobicContact CD1-CG 4.17Å; Y96-K124 HydrophobicContact CE1-CB 4.15Å; Y96-K124 HydrophobicContact CE1-CD 3.83Å; Y96-K124 HydrophobicContact CE1-CG 3.89Å; Y96-L125 VanDerWaalsContact CD1-C 3.44Å; Y96-L125 VanDerWaalsContact CD1-O 3.28Å; Y96-L125 WeakPolarHBondContact CD1-O 3.37Å; Y96-L125 VanDerWaalsContact CE1-C 3.49Å; Y96-L125 PolarHBondContact N-O 3.45Å; Y96-N126 HydrophobicContact CE1-CB 3.84Å; Y96-N126 VanDerWaalsContact CE1-N 3.32Å; Y96-N126 HydrophobicContact CE2-CB 4.48Å; Y96-N126 WeakPolarHBondContact O-CA 3.3Å; Y96-V127 PolarHBondContact O-N 3.22Å
97R94.5Very high93.7Very high100 Ų10048.8 Ų48.838%0.37724%0.237SC..  trans-138.1135169.1-176.2178.4-79.5174.4-2.8109.4S99 T100 V127 D128 I142R97-S99 WeakPolarHBondContact CD-OG 3.43Å; R97-S99 WeakPolarHBondContact CG-OG 3.39Å; R97-S99 PolarHBondContact O-N 2.89Å; R97-T100 PolarHBondContact O-N 2.93Å; R97-T100 VanDerWaalsContact O-N 3.08Å; R97-V127 HydrophobicContact CB-CG2 4.02Å; R97-D128 IonicContact CZ-OD1 3.22Å; R97-D128 IonicContact NE-OD1 2.91Å; R97-D128 PolarHBondContact NE-OD1 3.01Å; R97-D128 IonicContact NE-OD2 2.8Å; R97-D128 IonicContact NH2-OD1 3.38Å; R97-D128 PolarHBondContact NH2-OD1 3.29Å; R97-I142 HydrophobicContact CB-CG2 4.18Å
98D90.1Very high93.8Very high107 Ų10751.4 Ų51.457%0.57225%0.247SC*.THydrogen-bonded Turntrans-60.9-30-175.6-69.5-62.6000113.9Y96 T100 N126Y96-D98 WeakPolarHBondContact CE2-OD1 3.46Å; D98-T100 PolarHBondContact O-N 2.9Å; D98-N126 PolarHBondContact OD2-ND2 2.8Å; D98-N126 VanDerWaalsContact OD2-ND2 3.1Å
99S90.1Very high93.9Very high101 Ų10152.4 Ų52.471%0.70625%0.251SS*.THydrogen-bonded Turntrans-71.6-11.7178.263.20000114.1R97R97-S99 WeakPolarHBondContact CD-OG 3.43Å; R97-S99 WeakPolarHBondContact CG-OG 3.39Å; R97-S99 PolarHBondContact O-N 2.89Å
100T89.1Confident94.1Very high38 Ų3847 Ų4723%0.23322%0.223CC..  trans-102.4112.5-173.7-570000111R97 D98 R102 C103R97-T100 PolarHBondContact O-N 2.93Å; R97-T100 VanDerWaalsContact O-N 3.08Å; D98-T100 PolarHBondContact O-N 2.9Å; T100-R102 VanDerWaalsContact C-N 3.3Å; T100-R102 HydrophobicContact CG2-CB 4.28Å; T100-R102 PolarHBondContact O-N 3.43Å; T100-C103 WeakPolarHBondContact O-CB 3.44Å; T100-C103 PolarHBondContact O-N 3.29Å
101F90.3Very high94.1Very high136 Ų13646.3 Ų46.360%0.59623%0.227SC*.Hα-helixtrans-58.6-38.4-178.4178.4-104.2000113.3C103 K104 I105F101-C103 PolarHBondContact O-N 3.37Å; F101-C103 VanDerWaalsContact O-N 3.17Å; F101-K104 HydrophobicContact CD2-CD 4.42Å; F101-K104 VanDerWaalsContact O-CB 3.31Å; F101-K104 WeakPolarHBondContact O-CB 3.31Å; F101-K104 PolarHBondContact O-N 2.91Å; F101-I105 HydrophobicContact CD1-CD1 4.15Å; F101-I105 HydrophobicContact CE1-CD1 3.83Å; F101-I105 HydrophobicContact CE1-CG1 4.16Å
102R91Very high94.1Very high98 Ų9851 Ų5137%0.3725%0.251SS..Hα-helixtrans-59.3-27.4179.7-72.9-174.2176.6162.62.1113.9T100 K104 I105 L106 P143 F160 D167T100-R102 VanDerWaalsContact C-N 3.3Å; T100-R102 HydrophobicContact CG2-CB 4.28Å; T100-R102 PolarHBondContact O-N 3.43Å; R102-K104 VanDerWaalsContact C-N 3.28Å; R102-K104 PolarHBondContact O-N 3.48Å; R102-I105 WeakPolarHBondContact O-CB 3.33Å; R102-I105 PolarHBondContact O-N 2.97Å; R102-L106 PolarHBondContact O-N 3.41Å; R102-P143 HydrophobicContact CB-CG 4.12Å; R102-F160 HydrophobicContact CB-CE1 4.2Å; R102-F160 HydrophobicContact CB-CE2 3.99Å; R102-F160 HydrophobicContact CB-CZ 3.62Å; R102-F160 HydrophobicContact CG-CD2 4.37Å; R102-F160 HydrophobicContact CG-CE2 3.74Å; R102-F160 HydrophobicContact CG-CZ 3.93Å; R102-F160 WeakPolarHBondContact O-CZ 3.35Å; R102-D167 IonicContact CZ-OD1 3.09Å; R102-D167 IonicContact NE-OD1 3.56Å; R102-D167 PolarHBondContact NE-OD1 3.33Å; R102-D167 IonicContact NE-OD2 3.21Å; R102-D167 IonicContact NH2-OD1 3.79Å
103C93.8Very high94Very high3 Ų351 Ų512%0.0225%0.251CS..Hα-helixtrans-61.4-38.5172.7-59.60000111.7T100 F101 I105 L106 D107 I142T100-C103 WeakPolarHBondContact O-CB 3.44Å; T100-C103 PolarHBondContact O-N 3.29Å; F101-C103 PolarHBondContact O-N 3.37Å; F101-C103 VanDerWaalsContact O-N 3.17Å; C103-I105 PolarHBondContact O-N 3.44Å; C103-L106 PolarHBondContact O-N 3.1Å; C103-D107 PolarHBondContact O-N 2.9Å; C103-I142 VanDerWaalsContact SG-CG2 3.58Å
104K93.6Very high94Very high119 Ų11951 Ų5152%0.51725%0.251SS..Hα-helixtrans-66.3-26.8-180-59.3-176.7178.1179.80112.5F101 R102 K108F101-K104 HydrophobicContact CD2-CD 4.42Å; F101-K104 VanDerWaalsContact O-CB 3.31Å; F101-K104 WeakPolarHBondContact O-CB 3.31Å; F101-K104 PolarHBondContact O-N 2.91Å; R102-K104 VanDerWaalsContact C-N 3.28Å; R102-K104 PolarHBondContact O-N 3.48Å; K104-K108 WeakPolarHBondContact O-CG 3.28Å; K104-K108 PolarHBondContact O-N 3.36Å
105I93.6Very high93.8Very high18 Ų1858.7 Ų58.79%0.09229%0.285CS..Hα-helixtrans-69.8-50.5175.2-60.8170.4000108.8F101 R102 C103 D107 K108 H109 F160 D167 F169F101-I105 HydrophobicContact CD1-CD1 4.15Å; F101-I105 HydrophobicContact CE1-CD1 3.83Å; F101-I105 HydrophobicContact CE1-CG1 4.16Å; R102-I105 WeakPolarHBondContact O-CB 3.33Å; R102-I105 PolarHBondContact O-N 2.97Å; C103-I105 PolarHBondContact O-N 3.44Å; I105-D107 VanDerWaalsContact C-N 3.33Å; I105-D107 PolarHBondContact O-N 3.38Å; I105-K108 WeakPolarHBondContact O-CB 3.33Å; I105-K108 PolarHBondContact O-N 3.27Å; I105-K108 VanDerWaalsContact O-N 3.16Å; I105-H109 PolarHBondContact O-CD2 2.86Å; I105-H109 PolarHBondContact O-N 2.81Å; I105-F160 HydrophobicContact CB-CE2 4.48Å; I105-F160 HydrophobicContact CB-CZ 4.01Å; I105-F160 HydrophobicContact CD1-CE2 3.87Å; I105-F160 HydrophobicContact CD1-CZ 4.15Å; I105-F160 HydrophobicContact CG2-CE2 4.38Å; I105-F160 HydrophobicContact CG2-CZ 4.12Å; I105-D167 HydrophobicContact CD1-CB 3.75Å; I105-F169 HydrophobicContact CG2-CE1 3.97Å; I105-F169 HydrophobicContact CG2-CZ 4.11Å
106L94.4Very high93.7Very high2 Ų264.3 Ų64.31%0.0131%0.309CS..Hα-helixtrans-60.2-40.6175.9-83.3172.5000112.7R102 C103 K108 H109 L110 P143 L145 F160 F169 L174R102-L106 PolarHBondContact O-N 3.41Å; C103-L106 PolarHBondContact O-N 3.1Å; L106-K108 PolarHBondContact O-N 3.45Å; L106-H109 PolarHBondContact O-N 3.44Å; L106-H109 VanDerWaalsContact O-N 3.12Å; L106-L110 HydrophobicContact CB-CD1 4.33Å; L106-L110 WeakPolarHBondContact O-CB 3.43Å; L106-L110 VanDerWaalsContact O-CG 3.26Å; L106-L110 WeakPolarHBondContact O-CG 3.45Å; L106-L110 PolarHBondContact O-N 3.09Å; L106-P143 HydrophobicContact CD1-CB 3.52Å; L106-P143 HydrophobicContact CD1-CG 3.6Å; L106-L145 HydrophobicContact CD1-CD2 4.2Å; L106-L145 HydrophobicContact CD1-CG 4.36Å; L106-L145 HydrophobicContact CD2-CD1 4.14Å; L106-F160 HydrophobicContact CD1-CE1 4.03Å; L106-F160 HydrophobicContact CG-CE1 3.93Å; L106-F169 HydrophobicContact CD2-CZ 3.98Å; L106-L174 HydrophobicContact CD2-CD1 4.19Å; L106-L174 HydrophobicContact CD2-CD2 3.75Å
107D94.9Very high93.7Very high37 Ų3764.4 Ų64.420%0.19831%0.31CS..Hα-helixtrans-52.7-40.9176.1-79.2-16.1000112.2Y72 H94 C103 I105 G111 K124Y72-D107 HydrophobicContact CE1-CB 4.03Å; Y72-D107 WeakPolarHBondContact CE1-OD1 3.35Å; Y72-D107 VanDerWaalsContact CZ-OD1 3.29Å; Y72-D107 PolarHBondContact OH-OD1 2.71Å; H94-D107 IonicContact CD2-OD1 2.8Å; C103-D107 PolarHBondContact O-N 2.9Å; I105-D107 VanDerWaalsContact C-N 3.33Å; I105-D107 PolarHBondContact O-N 3.38Å; D107-G111 PolarHBondContact O-N 2.74Å; D107-K124 IonicContact OD2-NZ 3.54Å
108K94.6Very high93.6Very high157 Ų15760.8 Ų60.868%0.68330%0.298SS*.Hα-helixtrans-65.5-49177.4-68.6175.6-178.6-179.30111.7K104 I105 L106 G111 I112K104-K108 WeakPolarHBondContact O-CG 3.28Å; K104-K108 PolarHBondContact O-N 3.36Å; I105-K108 WeakPolarHBondContact O-CB 3.33Å; I105-K108 PolarHBondContact O-N 3.27Å; I105-K108 VanDerWaalsContact O-N 3.16Å; L106-K108 PolarHBondContact O-N 3.45Å; K108-G111 PolarHBondContact O-N 2.91Å; K108-I112 WeakPolarHBondContact O-CG1 3.41Å; K108-I112 PolarHBondContact O-N 3.25Å
109H95.4Very high93.7Very high26 Ų2656.7 Ų56.712%0.1228%0.275CS..Hα-helixtrans-67.8-43.8-178.2-64.1-72.6000111.9I105 L106 G111 I112 L113 F169 T171 L174I105-H109 PolarHBondContact O-CD2 2.86Å; I105-H109 PolarHBondContact O-N 2.81Å; L106-H109 PolarHBondContact O-N 3.44Å; L106-H109 VanDerWaalsContact O-N 3.12Å; H109-G111 VanDerWaalsContact C-N 3.31Å; H109-G111 PolarHBondContact O-N 2.7Å; H109-I112 WeakPolarHBondContact O-CB 3.47Å; H109-I112 PolarHBondContact O-N 3.33Å; H109-I112 VanDerWaalsContact O-N 3.12Å; H109-L113 WeakPolarHBondContact O-CG 3.24Å; H109-L113 PolarHBondContact O-N 3.04Å; H109-F169 AromaticContact CD2-CE2 3.47Å; H109-F169 VanDerWaalsContact CD2-CE2 3.47Å; H109-F169 WeakPolarHBondContact CD2-CE2 3.37Å; H109-F169 AromaticContact CD2-CZ 3.64Å; H109-F169 PolarHBondContact CE1-O 3.39Å; H109-F169 VanDerWaalsContact CE1-O 3.24Å; H109-F169 AromaticContact CG-CE2 3.96Å; H109-F169 AromaticContact NE2-CE2 3.71Å; H109-F169 AromaticContact NE2-CZ 3.98Å; H109-F169 PolarHBondContact NE2-O 3.34Å; H109-T171 PolarHBondContact ND1-OG1 3.21Å; H109-L174 HydrophobicContact CB-CD2 3.62Å
110L96.3Very high94Very high1 Ų151.9 Ų51.91%0.00524%0.242CC..Hα-helixtrans-64.8-35.3177.9-64.5172.2000111.9Y72 V92 H94 L106 I112 L113 A114 F122 L145 L174Y72-L110 HydrophobicContact CD2-CB 4.07Å; Y72-L110 HydrophobicContact CE1-CB 4.49Å; Y72-L110 HydrophobicContact CE2-CB 3.92Å; Y72-L110 HydrophobicContact CE2-CD1 3.79Å; Y72-L110 HydrophobicContact CG-CB 4.39Å; V92-L110 HydrophobicContact CG1-CD2 4.34Å; H94-L110 HydrophobicContact CB-CD1 3.83Å; L106-L110 HydrophobicContact CB-CD1 4.33Å; L106-L110 WeakPolarHBondContact O-CB 3.43Å; L106-L110 VanDerWaalsContact O-CG 3.26Å; L106-L110 WeakPolarHBondContact O-CG 3.45Å; L106-L110 PolarHBondContact O-N 3.09Å; L110-I112 VanDerWaalsContact C-N 3.26Å; L110-I112 PolarHBondContact O-N 3.42Å; L110-L113 PolarHBondContact O-N 2.99Å; L110-A114 VanDerWaalsContact O-CB 3.26Å; L110-A114 WeakPolarHBondContact O-CB 3.31Å; L110-A114 PolarHBondContact O-N 2.84Å; L110-F122 HydrophobicContact CD2-CD1 3.86Å; L110-F122 HydrophobicContact CD2-CE1 4.04Å; L110-L145 HydrophobicContact CD1-CD2 3.86Å; L110-L145 HydrophobicContact CD2-CD1 4.45Å; L110-L174 HydrophobicContact CD2-CD2 4.06Å; L110-L174 HydrophobicContact CG-CD2 4.45Å
111G96.1Very high94.3Very high24 Ų2450.6 Ų50.625%0.24723%0.233CC..Hα-helixtrans-62.2-31.9173.100000113.8D107 K108 H109D107-G111 PolarHBondContact O-N 2.74Å; K108-G111 PolarHBondContact O-N 2.91Å; H109-G111 VanDerWaalsContact C-N 3.31Å; H109-G111 PolarHBondContact O-N 2.7Å
112I95.6Very high94.6Very high98 Ų9844.2 Ų44.250%0.50321%0.205SC..Hα-helixtrans-76.1-47173.9-61.9164.7000110.1K108 H109 L110 A114 K115 K116 T171K108-I112 WeakPolarHBondContact O-CG1 3.41Å; K108-I112 PolarHBondContact O-N 3.25Å; H109-I112 WeakPolarHBondContact O-CB 3.47Å; H109-I112 PolarHBondContact O-N 3.33Å; H109-I112 VanDerWaalsContact O-N 3.12Å; L110-I112 VanDerWaalsContact C-N 3.26Å; L110-I112 PolarHBondContact O-N 3.42Å; I112-A114 VanDerWaalsContact C-N 3.34Å; I112-A114 PolarHBondContact O-N 3.49Å; I112-K115 PolarHBondContact O-N 2.88Å; I112-K116 PolarHBondContact O-N 3.45Å; I112-T171 HydrophobicContact CB-CG2 4.42Å; I112-T171 HydrophobicContact CG2-CG2 4.25Å
113L95.5Very high94.9Very high1 Ų139.6 Ų39.61%0.00519%0.187CC..Hα-helixtrans-65.6-35.7-177.5-69.6174.8000112.8H109 L110 K115 K116 H117 F122 T171 L174 E175 L178H109-L113 WeakPolarHBondContact O-CG 3.24Å; H109-L113 PolarHBondContact O-N 3.04Å; L110-L113 PolarHBondContact O-N 2.99Å; L113-K115 VanDerWaalsContact C-N 3.26Å; L113-K115 PolarHBondContact O-N 3.12Å; L113-K116 PolarHBondContact O-N 2.84Å; L113-H117 PolarHBondContact O-CD2 2.69Å; L113-H117 PolarHBondContact O-N 3.31Å; L113-F122 HydrophobicContact CB-CE1 4.15Å; L113-F122 HydrophobicContact CB-CZ 4.05Å; L113-T171 HydrophobicContact CD1-CG2 4.28Å; L113-T171 HydrophobicContact CD2-CG2 3.72Å; L113-T171 HydrophobicContact CG-CG2 3.76Å; L113-L174 HydrophobicContact CD1-CB 4.36Å; L113-L174 HydrophobicContact CD1-CD2 3.77Å; L113-L174 HydrophobicContact CD1-CG 3.87Å; L113-E175 HydrophobicContact CD2-CB 3.81Å; L113-E175 HydrophobicContact CD2-CG 3.8Å; L113-L178 HydrophobicContact CD1-CD1 3.97Å
114A95.8Very high95Very high0 Ų041.2 Ų41.20%019%0.194CC..Hα-helixtrans-55.9-42.6176.800000112G70 L110 I112 K116 F122G70-A114 WeakPolarHBondContact CA-O 3.24Å; G70-A114 CarbonylContact O-C 3.6Å; L110-A114 VanDerWaalsContact O-CB 3.26Å; L110-A114 WeakPolarHBondContact O-CB 3.31Å; L110-A114 PolarHBondContact O-N 2.84Å; I112-A114 VanDerWaalsContact C-N 3.34Å; I112-A114 PolarHBondContact O-N 3.49Å; A114-K116 VanDerWaalsContact C-N 3.33Å; A114-K116 PolarHBondContact O-N 3.42Å; A114-F122 VanDerWaalsContact CA-CD2 3.41Å; A114-F122 HydrophobicContact CB-CB 3.9Å; A114-F122 HydrophobicContact CB-CD2 3.78Å; A114-F122 HydrophobicContact CB-CG 3.96Å
115K94.1Very high95.1Very high162 Ų16235.5 Ų35.570%0.70417%0.169SC*.Hα-helixtrans-71.2-29.2178.6-63.4177.8-177.4179.80113G70 I112 L113G70-K115 WeakPolarHBondContact O-CG 3.45Å; I112-K115 PolarHBondContact O-N 2.88Å; L113-K115 VanDerWaalsContact C-N 3.26Å; L113-K115 PolarHBondContact O-N 3.12Å
116K93.7Very high95.2Very high117 Ų11735.1 Ų35.151%0.50917%0.167SC..Hα-helixtrans-80-39.3-178.8-169.9179.6-179.3-172.80111.9I112 L113 A114 E175I112-K116 PolarHBondContact O-N 3.45Å; L113-K116 PolarHBondContact O-N 2.84Å; A114-K116 VanDerWaalsContact C-N 3.33Å; A114-K116 PolarHBondContact O-N 3.42Å; K116-E175 VanDerWaalsContact CE-OE1 3.3Å; K116-E175 WeakPolarHBondContact CE-OE1 3.26Å; K116-E175 IonicContact NZ-OE1 2.87Å; K116-E175 PolarHBondContact NZ-OE1 3.35Å; K116-E175 IonicContact NZ-OE2 3.12Å; K116-E175 PolarHBondContact NZ-OE2 3.47Å
117H94.4Very high95.2Very high7 Ų735.5 Ų35.53%0.03217%0.17CC..  trans-111.180-172.7-65.4-72.7000111.5L113 E119 T120 F122 E175 I184L113-H117 PolarHBondContact O-CD2 2.69Å; L113-H117 PolarHBondContact O-N 3.31Å; H117-E119 VanDerWaalsContact C-OE2 3.27Å; H117-E119 VanDerWaalsContact CA-OE2 3.28Å; H117-E119 WeakPolarHBondContact CA-OE2 3.31Å; H117-E119 WeakPolarHBondContact CB-OE1 3.23Å; H117-E119 IonicContact CG-OE1 3.61Å; H117-E119 IonicContact ND1-OE1 2.51Å; H117-E119 PolarHBondContact ND1-OE1 2.95Å; H117-E119 PolarHBondContact O-N 2.88Å; H117-T120 PolarHBondContact O-N 2.85Å; H117-F122 HydrophobicContact CB-CE2 3.93Å; H117-F122 HydrophobicContact CB-CZ 4.25Å; H117-E175 IonicContact CE1-OE1 3.99Å; H117-E175 PolarHBondContact CE1-OE1 3.43Å; H117-E175 IonicContact NE2-OE1 3.62Å; H117-E175 PolarHBondContact NE2-OE1 3.02Å; H117-E175 VanDerWaalsContact NE2-OE1 3.1Å; H117-I184 HydrophobicContact CB-CG2 4.25Å
118L93.3Very high95.1Very high25 Ų2538.5 Ų38.513%0.13119%0.186CC..THydrogen-bonded Turntrans-69.8-17.4179-61.9179000113.4K61 W64 L65 H69 T120K61-L118 HydrophobicContact CD-CD1 3.8Å; K61-L118 HydrophobicContact CG-CD1 3.76Å; W64-L118 WeakPolarHBondContact CB-O 3.26Å; W64-L118 HydrophobicContact CE3-CB 4.12Å; L65-L118 HydrophobicContact CD2-CD2 4.22Å; H69-L118 WeakPolarHBondContact CB-O 3.24Å; H69-L118 PolarHBondContact ND1-O 3.22Å; H69-L118 VanDerWaalsContact ND1-O 3.15Å; L118-T120 PolarHBondContact O-N 2.96Å
119E92.8Very high94.9Very high21 Ų2135.7 Ų35.710%0.09817%0.174CC..THydrogen-bonded Turntrans-72.4-14.117571.3-78.7-174.800113.2W64 H117 N185W64-E119 HydrophobicContact CE3-CB 4.48Å; W64-E119 HydrophobicContact CH2-CB 3.59Å; W64-E119 HydrophobicContact CZ2-CB 3.83Å; W64-E119 HydrophobicContact CZ3-CB 3.94Å; H117-E119 VanDerWaalsContact C-OE2 3.27Å; H117-E119 VanDerWaalsContact CA-OE2 3.28Å; H117-E119 WeakPolarHBondContact CA-OE2 3.31Å; H117-E119 WeakPolarHBondContact CB-OE1 3.23Å; H117-E119 IonicContact CG-OE1 3.61Å; H117-E119 IonicContact ND1-OE1 2.51Å; H117-E119 PolarHBondContact ND1-OE1 2.95Å; H117-E119 PolarHBondContact O-N 2.88Å; E119-N185 HydrophobicContact CG-CB 4.32Å; E119-N185 WeakPolarHBondContact OE1-CB 3.37Å; E119-N185 PolarHBondContact OE1-N 3.46Å
120T95.6Very high94.8Very high0 Ų034.5 Ų34.50%017%0.168CC..SBendtrans-123.6130.3-173.8-52.50000110.3R90 V92 H117 L118 F122 V183 I184R90-T120 HydrophobicContact CB-CG2 4.09Å; V92-T120 HydrophobicContact CB-CG2 4.49Å; V92-T120 HydrophobicContact CG2-CG2 3.7Å; H117-T120 PolarHBondContact O-N 2.85Å; L118-T120 PolarHBondContact O-N 2.96Å; T120-F122 HydrophobicContact CG2-CD2 4.36Å; T120-F122 HydrophobicContact CG2-CE2 3.87Å; T120-F122 HydrophobicContact CG2-CZ 4.02Å; T120-F122 VanDerWaalsContact O-CD2 3.24Å; T120-F122 WeakPolarHBondContact O-CD2 3.37Å; T120-F122 WeakPolarHBondContact O-CE2 3.46Å; T120-V183 PolarHBondContact OG1-O 3.29Å; T120-I184 HydrophobicContact CG2-CG2 4.17Å
121K95.8Very high94.7Very high11 Ų1138.3 Ų38.35%0.04819%0.193CC..EExtended strand (participates in β ladder)trans-86.2125.9175.4-161.4164.4-178.3166.40110.4K67 E84 R90 V91 V92 I123K67-K121 PolarHBondContact O-NZ 3.15Å; E84-K121 IonicContact OE1-NZ 3.75Å; E84-K121 PolarHBondContact OE1-NZ 2.9Å; E84-K121 VanDerWaalsContact OE1-NZ 3.12Å; E84-K121 WeakPolarHBondContact OE2-CD 3.38Å; E84-K121 WeakPolarHBondContact OE2-CE 3.41Å; E84-K121 IonicContact OE2-NZ 3.84Å; E84-K121 PolarHBondContact OE2-NZ 3.47Å; R90-K121 PolarHBondContact O-N 2.86Å; V91-K121 CarbonylContact C-O 3.53Å; V91-K121 WeakPolarHBondContact CA-O 3.47Å; V91-K121 HydrophobicContact CG2-CB 4.22Å; V92-K121 PolarHBondContact N-O 2.89Å; K121-I123 HydrophobicContact CG-CG2 4.18Å
122F97.1Very high94.5Very high1 Ų142.3 Ų42.30%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-106.6119.3178.3-67.8-95.8000110Y72 K73 V92 L110 L113 A114 H117 T120 L178 I184Y72-F122 HydrophobicContact CD2-CB 3.98Å; K73-F122 PolarHBondContact N-O 2.94Å; V92-F122 HydrophobicContact CB-CD1 3.81Å; V92-F122 HydrophobicContact CB-CE1 3.98Å; V92-F122 HydrophobicContact CG1-CD1 4.07Å; V92-F122 HydrophobicContact CG1-CE1 4.21Å; V92-F122 HydrophobicContact CG2-CD1 4.36Å; V92-F122 HydrophobicContact CG2-CE1 4.03Å; L110-F122 HydrophobicContact CD2-CD1 3.86Å; L110-F122 HydrophobicContact CD2-CE1 4.04Å; L113-F122 HydrophobicContact CB-CE1 4.15Å; L113-F122 HydrophobicContact CB-CZ 4.05Å; A114-F122 VanDerWaalsContact CA-CD2 3.41Å; A114-F122 HydrophobicContact CB-CB 3.9Å; A114-F122 HydrophobicContact CB-CD2 3.78Å; A114-F122 HydrophobicContact CB-CG 3.96Å; H117-F122 HydrophobicContact CB-CE2 3.93Å; H117-F122 HydrophobicContact CB-CZ 4.25Å; T120-F122 HydrophobicContact CG2-CD2 4.36Å; T120-F122 HydrophobicContact CG2-CE2 3.87Å; T120-F122 HydrophobicContact CG2-CZ 4.02Å; T120-F122 VanDerWaalsContact O-CD2 3.24Å; T120-F122 WeakPolarHBondContact O-CD2 3.37Å; T120-F122 WeakPolarHBondContact O-CE2 3.46Å; F122-L178 HydrophobicContact CE1-CD1 3.97Å; F122-L178 HydrophobicContact CZ-CD1 4.42Å; F122-I184 HydrophobicContact CZ-CG2 4.1Å
123I96.6Very high94.3Very high1 Ų137.8 Ų37.81%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-131.6155.7-17755.8171.3000110.1K73 I75 F81 E84 V91 V92 C93 H94 K121K73-I123 CarbonylContact O-C 3.54Å; K73-I123 VanDerWaalsContact O-CA 3.31Å; K73-I123 WeakPolarHBondContact O-CA 3.47Å; I75-I123 HydrophobicContact CD1-CB 3.87Å; I75-I123 HydrophobicContact CD1-CD1 3.42Å; I75-I123 VanDerWaalsContact CD1-CD1 3.42Å; I75-I123 HydrophobicContact CD1-CG1 4.17Å; I75-I123 HydrophobicContact CD1-CG2 4.01Å; I75-I123 HydrophobicContact CG1-CB 4.09Å; I75-I123 HydrophobicContact CG1-CG2 4.23Å; F81-I123 HydrophobicContact CD2-CD1 3.92Å; F81-I123 HydrophobicContact CE2-CD1 4.12Å; E84-I123 HydrophobicContact CB-CD1 4.48Å; V91-I123 HydrophobicContact CG1-CD1 3.56Å; V91-I123 HydrophobicContact CG1-CG1 3.84Å; V92-I123 WeakPolarHBondContact O-CG1 3.39Å; V92-I123 PolarHBondContact O-N 3.42Å; C93-I123 WeakPolarHBondContact CA-O 3.14Å; C93-I123 HydrophobicContact CB-CD1 3.93Å; C93-I123 HydrophobicContact CB-CG1 3.84Å; H94-I123 PolarHBondContact N-O 3.22Å; K121-I123 HydrophobicContact CG-CG2 4.18Å
124K96.3Very high94.2Very high37 Ų3738.9 Ų38.916%0.16119%0.187CC..EExtended strand (participates in β ladder)trans-126.9147.9169.570174.8-174.6174.10111.8Y72 K73 E74 I75 H94 Y96 D107Y72-K124 HydrophobicContact CE1-CD 3.86Å; Y72-K124 HydrophobicContact CE1-CG 4.46Å; Y72-K124 HydrophobicContact CE2-CB 3.87Å; Y72-K124 HydrophobicContact CE2-CG 4.38Å; Y72-K124 VanDerWaalsContact OH-CB 3.32Å; Y72-K124 WeakPolarHBondContact OH-CB 3.42Å; K73-K124 PolarHBondContact O-N 2.88Å; E74-K124 WeakPolarHBondContact CA-O 3.3Å; E74-K124 HydrophobicContact CB-CD 4.36Å; E74-K124 HydrophobicContact CB-CG 3.81Å; E74-K124 HydrophobicContact CG-CG 4.07Å; I75-K124 PolarHBondContact N-O 3.41Å; H94-K124 HydrophobicContact CB-CB 4.07Å; H94-K124 CarbonylContact O-C 3.56Å; H94-K124 VanDerWaalsContact O-CA 3.3Å; H94-K124 WeakPolarHBondContact O-CA 3.23Å; Y96-K124 HydrophobicContact CD1-CB 3.94Å; Y96-K124 HydrophobicContact CD1-CD 4.08Å; Y96-K124 HydrophobicContact CD1-CG 4.17Å; Y96-K124 HydrophobicContact CE1-CB 4.15Å; Y96-K124 HydrophobicContact CE1-CD 3.83Å; Y96-K124 HydrophobicContact CE1-CG 3.89Å; D107-K124 IonicContact OD2-NZ 3.54Å
125L95.9Very high94.1Very high0 Ų046.3 Ų46.30%022%0.222CC..EExtended strand (participates in β ladder)trans-138.4126.8-178.1-175.860.3000109.6I75 H94 F95 Y96 V127 A130 L133I75-L125 HydrophobicContact CB-CD1 4.26Å; I75-L125 HydrophobicContact CG2-CD1 4.4Å; I75-L125 WeakPolarHBondContact O-CD1 3.02Å; H94-L125 PolarHBondContact O-N 3.24Å; F95-L125 WeakPolarHBondContact CA-O 3.49Å; F95-L125 HydrophobicContact CE1-CD2 3.93Å; Y96-L125 VanDerWaalsContact CD1-C 3.44Å; Y96-L125 VanDerWaalsContact CD1-O 3.28Å; Y96-L125 WeakPolarHBondContact CD1-O 3.37Å; Y96-L125 VanDerWaalsContact CE1-C 3.49Å; Y96-L125 PolarHBondContact N-O 3.45Å; L125-V127 PolarHBondContact O-N 3.42Å; L125-A130 HydrophobicContact CD1-CB 4.12Å; L125-A130 HydrophobicContact CD2-CB 3.48Å; L125-A130 VanDerWaalsContact CD2-CB 3.48Å; L125-A130 HydrophobicContact CG-CB 3.67Å; L125-L133 HydrophobicContact CD2-CD1 3.62Å
126N95.3Very high94Very high9 Ų947.7 Ų47.75%0.04822%0.223CC..EExtended strand (participates in β ladder)trans-72.9126.2176.5-173.4-42.8000109Y96 D98 D128 K129 A130Y96-N126 HydrophobicContact CE1-CB 3.84Å; Y96-N126 VanDerWaalsContact CE1-N 3.32Å; Y96-N126 HydrophobicContact CE2-CB 4.48Å; Y96-N126 WeakPolarHBondContact O-CA 3.3Å; D98-N126 PolarHBondContact OD2-ND2 2.8Å; D98-N126 VanDerWaalsContact OD2-ND2 3.1Å; N126-D128 PolarHBondContact O-N 3.32Å; N126-D128 WeakPolarHBondContact OD1-CB 3.35Å; N126-D128 PolarHBondContact OD1-N 2.89Å; N126-K129 HydrophobicContact CB-CB 4.41Å; N126-K129 HydrophobicContact CB-CD 4.08Å; N126-K129 HydrophobicContact CB-CG 4.08Å; N126-K129 PolarHBondContact O-N 2.78Å; N126-A130 PolarHBondContact O-N 3.05Å
127V94.2Very high93.8Very high11 Ų1143.4 Ų43.47%0.06721%0.205CC..G310 helixtrans-61.8-29.8-178.4-65.10000113.8F95 Y96 R97 L125 K129 A130 T134 I142F95-V127 HydrophobicContact CB-CG1 3.91Å; F95-V127 HydrophobicContact CD1-CG1 4.29Å; Y96-V127 PolarHBondContact O-N 3.22Å; R97-V127 HydrophobicContact CB-CG2 4.02Å; L125-V127 PolarHBondContact O-N 3.42Å; V127-K129 PolarHBondContact O-N 3.49Å; V127-A130 CarbonylContact O-C 3.51Å; V127-A130 PolarHBondContact O-N 3.49Å; V127-T134 HydrophobicContact CB-CG2 3.82Å; V127-T134 HydrophobicContact CG1-CG2 3.7Å; V127-I142 HydrophobicContact CG1-CD1 3.48Å; V127-I142 VanDerWaalsContact CG1-CD1 3.48Å; V127-I142 HydrophobicContact CG1-CG1 4.36Å
128D92.3Very high93.7Very high100 Ų10053 Ų5354%0.53524%0.241SC..G310 helixtrans-73.7-20.8179.6-54.1-36000111.2R97 N126R97-D128 IonicContact CZ-OD1 3.22Å; R97-D128 IonicContact NE-OD1 2.91Å; R97-D128 PolarHBondContact NE-OD1 3.01Å; R97-D128 IonicContact NE-OD2 2.8Å; R97-D128 IonicContact NH2-OD1 3.38Å; R97-D128 PolarHBondContact NH2-OD1 3.29Å; N126-D128 PolarHBondContact O-N 3.32Å; N126-D128 WeakPolarHBondContact OD1-CB 3.35Å; N126-D128 PolarHBondContact OD1-N 2.89Å
129K91.8Very high93.7Very high98 Ų9852.8 Ų52.843%0.42624%0.24SC..G310 helixtrans-92.9-3.7173.7-56.8-178.9-168.9166.90113.2E74 P76 N126 V127E74-K129 IonicContact OE1-NZ 3.18Å; E74-K129 PolarHBondContact OE1-NZ 2.88Å; P76-K129 WeakPolarHBondContact O-CD 3.42Å; N126-K129 HydrophobicContact CB-CB 4.41Å; N126-K129 HydrophobicContact CB-CD 4.08Å; N126-K129 HydrophobicContact CB-CG 4.08Å; N126-K129 PolarHBondContact O-N 2.78Å; V127-K129 PolarHBondContact O-N 3.49Å
130A93Very high93.5Very high0 Ų061 Ų610%028%0.275CS..  trans-13854.4-170.800000113.7E78 L125 N126 V127 F132 L133 T134E78-A130 HydrophobicContact CB-CB 3.8Å; E78-A130 VanDerWaalsContact OE2-CA 3.25Å; E78-A130 WeakPolarHBondContact OE2-CA 3.39Å; L125-A130 HydrophobicContact CD1-CB 4.12Å; L125-A130 HydrophobicContact CD2-CB 3.48Å; L125-A130 VanDerWaalsContact CD2-CB 3.48Å; L125-A130 HydrophobicContact CG-CB 3.67Å; N126-A130 PolarHBondContact O-N 3.05Å; V127-A130 CarbonylContact O-C 3.51Å; V127-A130 PolarHBondContact O-N 3.49Å; A130-F132 VanDerWaalsContact C-N 3.33Å; A130-F132 PolarHBondContact O-N 3.3Å; A130-L133 HydrophobicContact CB-CB 4.43Å; A130-L133 PolarHBondContact O-N 3.48Å; A130-T134 VanDerWaalsContact O-CG2 3.29Å; A130-T134 WeakPolarHBondContact O-CG2 3.5Å; A130-T134 PolarHBondContact O-N 3.24Å; A130-T134 VanDerWaalsContact O-N 3.08Å; A130-T134 PolarHBondContact O-OG1 2.86Å
131P92.9Very high93.3Very high81 Ų8164.4 Ų64.453%0.52630%0.296SS..Hα-helixtrans-63.7-36.2-17727-34.6000112.7T134 E135P131-T134 WeakPolarHBondContact CA-OG1 3.23Å; P131-T134 PolarHBondContact O-OG1 3.47Å; P131-E135 WeakPolarHBondContact O-CB 3.37Å; P131-E135 PolarHBondContact O-N 3.05Å; P131-E135 VanDerWaalsContact O-N 3.08Å
132F93.3Very high93.1Very high108 Ų10865.9 Ų65.947%0.47430%0.304SS..Hα-helixtrans-69.9-43.7-178.9169.6-96000111.3E78 F82 A130 E135 R136E78-F132 WeakPolarHBondContact OE1-CB 3.27Å; E78-F132 WeakPolarHBondContact OE2-CA 3.31Å; E78-F132 VanDerWaalsContact OE2-CB 3.29Å; E78-F132 WeakPolarHBondContact OE2-CB 3.34Å; E78-F132 PolarHBondContact OE2-N 3.39Å; F82-F132 HydrophobicContact CZ-CE1 4.15Å; A130-F132 VanDerWaalsContact C-N 3.33Å; A130-F132 PolarHBondContact O-N 3.3Å; F132-E135 PolarHBondContact O-N 3.08Å; F132-R136 WeakPolarHBondContact O-CB 3.26Å; F132-R136 PolarHBondContact O-N 3.18Å
133L91.3Very high93Very high3 Ų365.9 Ų65.92%0.01631%0.305CS..Hα-helixtrans-65.7-40.3177-80.8174.8000112.4E78 F81 F82 F95 L125 A130 E135 R136 L137E78-L133 HydrophobicContact CB-CB 4.49Å; E78-L133 HydrophobicContact CB-CD1 3.53Å; E78-L133 HydrophobicContact CB-CG 3.93Å; E78-L133 PolarHBondContact OE2-N 3.13Å; F81-L133 HydrophobicContact CB-CD1 3.58Å; F81-L133 HydrophobicContact CD1-CD1 3.71Å; F81-L133 HydrophobicContact CD1-CD2 3.81Å; F81-L133 HydrophobicContact CD1-CG 4.46Å; F81-L133 HydrophobicContact CD2-CD1 4.28Å; F81-L133 HydrophobicContact CE1-CD1 4.47Å; F81-L133 HydrophobicContact CE1-CD2 4.05Å; F81-L133 HydrophobicContact CG-CD1 3.6Å; F82-L133 HydrophobicContact CE1-CD2 4.32Å; F82-L133 HydrophobicContact CE2-CD2 4.31Å; F82-L133 HydrophobicContact CZ-CD2 3.74Å; F95-L133 HydrophobicContact CE1-CB 4.15Å; F95-L133 HydrophobicContact CZ-CB 4.49Å; L125-L133 HydrophobicContact CD2-CD1 3.62Å; A130-L133 HydrophobicContact CB-CB 4.43Å; A130-L133 PolarHBondContact O-N 3.48Å; L133-E135 VanDerWaalsContact C-N 3.34Å; L133-E135 PolarHBondContact O-N 3.05Å; L133-R136 PolarHBondContact O-N 3.08Å; L133-L137 HydrophobicContact CD2-CD1 4.26Å; L133-L137 VanDerWaalsContact O-CB 3.23Å; L133-L137 WeakPolarHBondContact O-CB 3.38Å; L133-L137 WeakPolarHBondContact O-CG 3.26Å; L133-L137 PolarHBondContact O-N 3.49Å
134T92.3Very high92.9Very high25 Ų2566 Ų6615%0.15331%0.305CS..Hα-helixtrans-64.9-39.1179.251.40000111.6F95 V127 A130 P131 R138 I139F95-T134 HydrophobicContact CD1-CG2 4.01Å; F95-T134 HydrophobicContact CE1-CG2 4.38Å; V127-T134 HydrophobicContact CB-CG2 3.82Å; V127-T134 HydrophobicContact CG1-CG2 3.7Å; A130-T134 VanDerWaalsContact O-CG2 3.29Å; A130-T134 WeakPolarHBondContact O-CG2 3.5Å; A130-T134 PolarHBondContact O-N 3.24Å; A130-T134 VanDerWaalsContact O-N 3.08Å; A130-T134 PolarHBondContact O-OG1 2.86Å; P131-T134 WeakPolarHBondContact CA-OG1 3.23Å; P131-T134 PolarHBondContact O-OG1 3.47Å; T134-R138 CarbonylContact O-C 3.5Å; T134-R138 WeakPolarHBondContact O-CA 3.36Å; T134-R138 PolarHBondContact O-N 3.4Å; T134-I139 HydrophobicContact CG2-CB 4.28Å; T134-I139 PolarHBondContact O-N 2.87Å
135E93.8Very high92.9Very high156 Ų15664.3 Ų64.373%0.72930%0.298SS*.Hα-helixtrans-68.1-49.5172.7-173.2176.8-174.400111.9P131 F132 L133 L137 R138P131-E135 WeakPolarHBondContact O-CB 3.37Å; P131-E135 PolarHBondContact O-N 3.05Å; P131-E135 VanDerWaalsContact O-N 3.08Å; F132-E135 PolarHBondContact O-N 3.08Å; L133-E135 VanDerWaalsContact C-N 3.34Å; L133-E135 PolarHBondContact O-N 3.05Å; E135-L137 PolarHBondContact O-N 3.39Å; E135-R138 PolarHBondContact O-N 3.49Å
136R91.6Very high92.9Very high190 Ų19064.3 Ų64.372%0.71730%0.298SS*.Hα-helixtrans-62-41.1-176.7-175.764.4176.2174.71112.6F132 L133 R138F132-R136 WeakPolarHBondContact O-CB 3.26Å; F132-R136 PolarHBondContact O-N 3.18Å; L133-R136 PolarHBondContact O-N 3.08Å; R136-R138 VanDerWaalsContact C-N 3.32Å
137L90.8Very high93Very high27 Ų2763.9 Ų63.914%0.14130%0.295CS..THydrogen-bonded Turntrans-89.82.8177.7-60.2175000112.6F95 L133 E135 I139 Y156F95-L137 HydrophobicContact CE2-CD1 3.96Å; F95-L137 HydrophobicContact CZ-CD1 3.59Å; L133-L137 HydrophobicContact CD2-CD1 4.26Å; L133-L137 VanDerWaalsContact O-CB 3.23Å; L133-L137 WeakPolarHBondContact O-CB 3.38Å; L133-L137 WeakPolarHBondContact O-CG 3.26Å; L133-L137 PolarHBondContact O-N 3.49Å; E135-L137 PolarHBondContact O-N 3.39Å; L137-I139 VanDerWaalsContact C-N 3.29Å; L137-I139 HydrophobicContact CB-CD1 3.98Å; L137-I139 HydrophobicContact CB-CG1 3.96Å; L137-I139 PolarHBondContact O-N 2.82Å; L137-Y156 HydrophobicContact CB-CE1 4.37Å; L137-Y156 WeakPolarHBondContact CD2-OH 3.21Å; L137-Y156 PolarHBondContact O-OH 2.85Å
138R91.8Very high93Very high208 Ų20863.6 Ų63.679%0.78529%0.294SS*.THydrogen-bonded Turntrans54.740.5177.9-57.2178.9176.5-179.7-1.4113.6T134 E135 R136 K140T134-R138 CarbonylContact O-C 3.5Å; T134-R138 WeakPolarHBondContact O-CA 3.36Å; T134-R138 PolarHBondContact O-N 3.4Å; E135-R138 PolarHBondContact O-N 3.49Å; R136-R138 VanDerWaalsContact C-N 3.32Å; R138-K140 PolarHBondContact O-N 3.06Å; R138-K140 VanDerWaalsContact O-N 3.12Å
139I92.6Very high93.1Very high22 Ų2259.9 Ų59.911%0.11327%0.273CS..  trans-74.5100.5177.6-49.9-60.3000109.1F95 T134 L137 I142 T144 Y156F95-I139 HydrophobicContact CB-CG2 4.08Å; F95-I139 HydrophobicContact CD1-CG1 4.4Å; F95-I139 HydrophobicContact CD2-CD1 4.1Å; F95-I139 HydrophobicContact CD2-CG1 4.21Å; F95-I139 HydrophobicContact CE2-CD1 4.36Å; F95-I139 HydrophobicContact CE2-CG1 4.45Å; F95-I139 HydrophobicContact CG-CG1 4.19Å; F95-I139 HydrophobicContact CG-CG2 4.39Å; T134-I139 HydrophobicContact CG2-CB 4.28Å; T134-I139 PolarHBondContact O-N 2.87Å; L137-I139 VanDerWaalsContact C-N 3.29Å; L137-I139 HydrophobicContact CB-CD1 3.98Å; L137-I139 HydrophobicContact CB-CG1 3.96Å; L137-I139 PolarHBondContact O-N 2.82Å; I139-I142 HydrophobicContact CG2-CD1 3.68Å; I139-T144 HydrophobicContact CD1-CG2 3.78Å; I139-T144 HydrophobicContact CG2-CG2 4.45Å; I139-Y156 HydrophobicContact CD1-CD1 4.12Å; I139-Y156 HydrophobicContact CD1-CE1 3.81Å
140K89.9Confident93.2Very high192 Ų19260 Ų6084%0.83528%0.278SS*.  trans-102.5-25.1-180-65.4-177.9-179.6-178.20114R138R138-K140 PolarHBondContact O-N 3.06Å; R138-K140 VanDerWaalsContact O-N 3.12Å
141V91.5Very high93Very high73 Ų7362.4 Ų62.444%0.44230%0.303SS..SBendtrans-118.7140.3-174.5178.60000108.6T144 V158V141-T144 PolarHBondContact O-OG1 3.45Å; V141-V158 HydrophobicContact CB-CG1 3.68Å; V141-V158 HydrophobicContact CG1-CG1 4.04Å; V141-V158 HydrophobicContact CG2-CG1 4.16Å
142I91.9Very high92.9Very high42 Ų4266 Ų6622%0.21531%0.311CS..SBendtrans-123.8135.9179.2-57.9-62000108.6F95 R97 C103 V127 I139F95-I142 HydrophobicContact CB-CD1 4.27Å; R97-I142 HydrophobicContact CB-CG2 4.18Å; C103-I142 VanDerWaalsContact SG-CG2 3.58Å; V127-I142 HydrophobicContact CG1-CD1 3.48Å; V127-I142 VanDerWaalsContact CG1-CD1 3.48Å; V127-I142 HydrophobicContact CG1-CG1 4.36Å; I139-I142 HydrophobicContact CG2-CD1 3.68Å
143P93.7Very high92.9Very high1 Ų163.6 Ų63.61%0.00631%0.305CS..SBendcis-74.1151.1-0.632-36.4000113.3H94 R102 L106 G159 F160H94-P143 WeakPolarHBondContact CE1-CB 3.39Å; R102-P143 HydrophobicContact CB-CG 4.12Å; L106-P143 HydrophobicContact CD1-CB 3.52Å; L106-P143 HydrophobicContact CD1-CG 3.6Å; P143-G159 VanDerWaalsContact O-CA 3.23Å; P143-G159 WeakPolarHBondContact O-CA 3.44Å; P143-G159 PolarHBondContact O-N 2.66Å; P143-F160 HydrophobicContact CG-CD1 4.39Å; P143-F160 HydrophobicContact CG-CE1 3.8Å
144T95.3Very high93Very high4 Ų469.2 Ų69.23%0.02533%0.329CS..EExtended strand (participates in β ladder)trans-133.8135.9168.2-70.70000110.3F95 I139 V141 Y156 V157 V158F95-T144 PolarHBondContact N-O 3.39Å; F95-T144 PolarHBondContact O-N 3.32Å; I139-T144 HydrophobicContact CD1-CG2 3.78Å; I139-T144 HydrophobicContact CG2-CG2 4.45Å; V141-T144 PolarHBondContact O-OG1 3.45Å; T144-Y156 HydrophobicContact CG2-CD1 4.06Å; T144-V157 CarbonylContact C-O 3.59Å; T144-V157 WeakPolarHBondContact CA-O 3.29Å; T144-V158 HydrophobicContact CG2-CG2 4.33Å
145L96.1Very high93.1Very high0 Ų070.6 Ų70.60%034%0.336CS..EExtended strand (participates in β ladder)trans-99.9123.2170.1-52.5176.3000109.3C93 H94 L106 L110 L147 Y156 V157 L174C93-L145 CarbonylContact O-C 3.54Å; C93-L145 WeakPolarHBondContact O-CA 3.41Å; H94-L145 HydrophobicContact CB-CD2 3.59Å; L106-L145 HydrophobicContact CD1-CD2 4.2Å; L106-L145 HydrophobicContact CD1-CG 4.36Å; L106-L145 HydrophobicContact CD2-CD1 4.14Å; L110-L145 HydrophobicContact CD1-CD2 3.86Å; L110-L145 HydrophobicContact CD2-CD1 4.45Å; L145-L147 HydrophobicContact CB-CD2 4.06Å; L145-Y156 CarbonylContact O-C 3.55Å; L145-Y156 VanDerWaalsContact O-CA 3.27Å; L145-Y156 WeakPolarHBondContact O-CA 3.44Å; L145-V157 HydrophobicContact CB-CB 4.03Å; L145-V157 HydrophobicContact CB-CG2 4.44Å; L145-V157 HydrophobicContact CD1-CB 4.14Å; L145-V157 HydrophobicContact CD1-CG2 4.39Å; L145-V157 HydrophobicContact CG-CB 4.28Å; L145-V157 PolarHBondContact N-O 3.44Å; L145-V157 PolarHBondContact O-N 3Å; L145-L174 HydrophobicContact CD1-CD1 3.83Å
146A95.8Very high93.2Very high0 Ų066.3 Ų66.30%031%0.313CS..EExtended strand (participates in β ladder)trans-92.1123167.100000109.4C93 F95 Y156C93-A146 HydrophobicContact CB-CB 4.49Å; C93-A146 PolarHBondContact N-O 3.43Å; C93-A146 PolarHBondContact O-N 3.41Å; F95-A146 HydrophobicContact CD2-CB 4.26Å; F95-A146 HydrophobicContact CE2-CB 3.69Å; A146-Y156 HydrophobicContact CB-CD1 3.95Å; A146-Y156 HydrophobicContact CB-CE1 3.75Å
147L96.2Very high93.3Very high0 Ų057.4 Ų57.40%028%0.28CS..EExtended strand (participates in β ladder)trans-100.7109.6-178.1-50-170000108.1V92 L145 K154 D155 V157 L178 S181 V183V92-L147 HydrophobicContact CB-CD2 4.44Å; V92-L147 HydrophobicContact CG1-CD2 3.91Å; V92-L147 HydrophobicContact CG2-CD2 4.01Å; L145-L147 HydrophobicContact CB-CD2 4.06Å; L147-K154 PolarHBondContact O-N 2.69Å; L147-D155 HydrophobicContact CB-CB 4.44Å; L147-D155 VanDerWaalsContact CB-O 3.3Å; L147-D155 WeakPolarHBondContact CB-O 3.47Å; L147-D155 HydrophobicContact CD1-CB 4.24Å; L147-D155 PolarHBondContact N-O 3.26Å; L147-D155 PolarHBondContact O-N 2.94Å; L147-V157 HydrophobicContact CD1-CG2 4.06Å; L147-L178 HydrophobicContact CD1-CD2 3.93Å; L147-L178 HydrophobicContact CD2-CD2 3.36Å; L147-L178 HydrophobicContact CG-CD2 4.32Å; L147-S181 VanDerWaalsContact CD1-OG 3.24Å; L147-S181 WeakPolarHBondContact CD1-OG 3.18Å; L147-V183 HydrophobicContact CB-CG1 3.81Å; L147-V183 HydrophobicContact CB-CG2 4.28Å; L147-V183 HydrophobicContact CD1-CG2 4.16Å; L147-V183 HydrophobicContact CD2-CG2 4.34Å
148V95.4Very high93.3Very high5 Ų558.8 Ų58.83%0.0329%0.289CS..EExtended strand (participates in β ladder)trans-114.2131.1-173.3-175.30000109.6F81 V85 V91 K152F81-V148 HydrophobicContact CZ-CG2 4.45Å; V85-V148 HydrophobicContact CG1-CG1 3.61Å; V85-V148 HydrophobicContact CG2-CG1 4.34Å; V91-V148 HydrophobicContact CB-CB 4.33Å; V91-V148 PolarHBondContact N-O 2.6Å; V91-V148 PolarHBondContact O-N 2.51Å; V148-K152 WeakPolarHBondContact CA-O 3.49Å
149K94.9Very high93.2Very high23 Ų2349.2 Ų49.210%0.126%0.255CS..EExtended strand (participates in β ladder)trans-136.2131.1175.8-173.2174.8-178.3161.20110.4N89 R90 G151 K152 K154 D182 V183N89-K149 CarbonylContact O-C 3.58Å; N89-K149 VanDerWaalsContact O-CA 3.26Å; N89-K149 WeakPolarHBondContact O-CA 3.16Å; R90-K149 HydrophobicContact CG-CG 4.41Å; K149-G151 PolarHBondContact O-N 3.32Å; K149-K152 PolarHBondContact N-O 3.4Å; K149-K152 PolarHBondContact O-N 2.85Å; K149-K152 VanDerWaalsContact O-O 3.05Å; K149-K154 HydrophobicContact CB-CD 4.35Å; K149-K154 HydrophobicContact CB-CG 3.56Å; K149-D182 WeakPolarHBondContact CD-O 3.46Å; K149-D182 PolarHBondContact NZ-O 3.19Å; K149-D182 IonicContact NZ-OD1 2.81Å; K149-D182 PolarHBondContact NZ-OD1 3.26Å; K149-D182 VanDerWaalsContact NZ-OD1 3.09Å; K149-D182 IonicContact NZ-OD2 2.69Å; K149-D182 PolarHBondContact NZ-OD2 2.58Å; K149-V183 HydrophobicContact CB-CG1 4.45Å
150D92.3Very high93Very high100 Ų10048.3 Ų48.354%0.53525%0.25SS..THydrogen-bonded Turntrans5243.7-179.7-52.4-45.1000112N89 K152N89-D150 PolarHBondContact O-N 2.86Å; D150-K152 PolarHBondContact O-N 2.97Å
151G89.4Confident92.9Very high51 Ų5143.9 Ų43.953%0.52624%0.24SC..THydrogen-bonded Turntrans72.34.4-179.800000115.7K149K149-G151 PolarHBondContact O-N 3.32Å
152K91.1Very high92.4Very high156 Ų15643.6 Ų43.668%0.67824%0.236SC*.EExtended strand (participates in β ladder)trans-117.6138.8178.8-63.5-178.6-177.6177.20110.9V148 K149 D150 K154V148-K152 WeakPolarHBondContact CA-O 3.49Å; K149-K152 PolarHBondContact N-O 3.4Å; K149-K152 PolarHBondContact O-N 2.85Å; K149-K152 VanDerWaalsContact O-O 3.05Å; D150-K152 PolarHBondContact O-N 2.97Å; K152-K154 PolarHBondContact O-N 3.23Å
153T93.3Very high92.1Very high57 Ų5741.6 Ų41.635%0.3523%0.225SC..EExtended strand (participates in β ladder)trans-69.6119.5171.9-48.70000109.5Y156T153-Y156 HydrophobicContact CG2-CD2 4.28Å; T153-Y156 HydrophobicContact CG2-CE1 3.94Å; T153-Y156 HydrophobicContact CG2-CE2 3.6Å; T153-Y156 VanDerWaalsContact CG2-CZ 3.43Å
154K94.1Very high91.6Very high122 Ų12243.5 Ų43.553%0.5325%0.245SC..EExtended strand (participates in β ladder)trans-87.1-46.7179.1-72.3-67.8-174.9167.80111.4L147 K149 K152L147-K154 PolarHBondContact O-N 2.69Å; K149-K154 HydrophobicContact CB-CD 4.35Å; K149-K154 HydrophobicContact CB-CG 3.56Å; K152-K154 PolarHBondContact O-N 3.23Å
155D94.3Very high91.2Very high54 Ų5448.3 Ų48.329%0.28927%0.271SS..EExtended strand (participates in β ladder)trans-160.3169.9-172.1-163.110.4000111L147 R177 S181L147-D155 HydrophobicContact CB-CB 4.44Å; L147-D155 VanDerWaalsContact CB-O 3.3Å; L147-D155 WeakPolarHBondContact CB-O 3.47Å; L147-D155 HydrophobicContact CD1-CB 4.24Å; L147-D155 PolarHBondContact N-O 3.26Å; L147-D155 PolarHBondContact O-N 2.94Å; D155-R177 IonicContact OD1-NH2 3.45Å; D155-R177 IonicContact OD2-CZ 2.89Å; D155-R177 IonicContact OD2-NH1 3.1Å; D155-R177 PolarHBondContact OD2-NH1 3.46Å; D155-R177 IonicContact OD2-NH2 3.53Å; D155-R177 PolarHBondContact OD2-NH2 2.98Å; D155-S181 PolarHBondContact OD2-OG 3.13Å
156Y94.7Very high90.7Very high66 Ų6650.7 Ų50.726%0.25929%0.285SS..EExtended strand (participates in β ladder)trans-130.6140.6175-63.6-88.9000110.8L137 I139 T144 L145 A146 T153 R177L137-Y156 HydrophobicContact CB-CE1 4.37Å; L137-Y156 WeakPolarHBondContact CD2-OH 3.21Å; L137-Y156 PolarHBondContact O-OH 2.85Å; I139-Y156 HydrophobicContact CD1-CD1 4.12Å; I139-Y156 HydrophobicContact CD1-CE1 3.81Å; T144-Y156 HydrophobicContact CG2-CD1 4.06Å; L145-Y156 CarbonylContact O-C 3.55Å; L145-Y156 VanDerWaalsContact O-CA 3.27Å; L145-Y156 WeakPolarHBondContact O-CA 3.44Å; A146-Y156 HydrophobicContact CB-CD1 3.95Å; A146-Y156 HydrophobicContact CB-CE1 3.75Å; T153-Y156 HydrophobicContact CG2-CD2 4.28Å; T153-Y156 HydrophobicContact CG2-CE1 3.94Å; T153-Y156 HydrophobicContact CG2-CE2 3.6Å; T153-Y156 VanDerWaalsContact CG2-CZ 3.43Å; Y156-R177 PolarHBondContact O-NH2 3.32Å
157V93.7Very high90.4Very high2 Ų253.7 Ų53.71%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-103.7108.5165.1-174.80000107.2T144 L145 L147 D162 L163 R177T144-V157 CarbonylContact C-O 3.59Å; T144-V157 WeakPolarHBondContact CA-O 3.29Å; L145-V157 HydrophobicContact CB-CB 4.03Å; L145-V157 HydrophobicContact CB-CG2 4.44Å; L145-V157 HydrophobicContact CD1-CB 4.14Å; L145-V157 HydrophobicContact CD1-CG2 4.39Å; L145-V157 HydrophobicContact CG-CB 4.28Å; L145-V157 PolarHBondContact N-O 3.44Å; L145-V157 PolarHBondContact O-N 3Å; L147-V157 HydrophobicContact CD1-CG2 4.06Å; V157-D162 HydrophobicContact CG1-CB 4.23Å; V157-L163 HydrophobicContact CG1-CD1 4.4Å; V157-L163 HydrophobicContact CG1-CG 4.36Å; V157-R177 HydrophobicContact CG2-CG 3.83Å
158V92.4Very high90.1Very high57 Ų5762.1 Ų62.135%0.34534%0.341SS..EExtended strand (participates in β ladder)trans-101.9113.3-172.5-175.20000110.3V141 T144 T161V141-V158 HydrophobicContact CB-CG1 3.68Å; V141-V158 HydrophobicContact CG1-CG1 4.04Å; V141-V158 HydrophobicContact CG2-CG1 4.16Å; T144-V158 HydrophobicContact CG2-CG2 4.33Å; V158-T161 PolarHBondContact O-OG1 3.19Å
159G87.9Confident89.8Confident7 Ų762.2 Ų62.27%0.07234%0.341CS..THydrogen-bonded Turntrans57.4-141.9-173.900000110.9P143P143-G159 VanDerWaalsContact O-CA 3.23Å; P143-G159 WeakPolarHBondContact O-CA 3.44Å; P143-G159 PolarHBondContact O-N 2.66Å
160F89.9Confident89.6Confident2 Ų263.3 Ų63.31%0.00935%0.352CS..THydrogen-bonded Turntrans-108.510177.3-64.2-5.3000112.4R102 I105 L106 P143 D162 L163 G164 N165 T166 D167 F169R102-F160 HydrophobicContact CB-CE1 4.2Å; R102-F160 HydrophobicContact CB-CE2 3.99Å; R102-F160 HydrophobicContact CB-CZ 3.62Å; R102-F160 HydrophobicContact CG-CD2 4.37Å; R102-F160 HydrophobicContact CG-CE2 3.74Å; R102-F160 HydrophobicContact CG-CZ 3.93Å; R102-F160 WeakPolarHBondContact O-CZ 3.35Å; I105-F160 HydrophobicContact CB-CE2 4.48Å; I105-F160 HydrophobicContact CB-CZ 4.01Å; I105-F160 HydrophobicContact CD1-CE2 3.87Å; I105-F160 HydrophobicContact CD1-CZ 4.15Å; I105-F160 HydrophobicContact CG2-CE2 4.38Å; I105-F160 HydrophobicContact CG2-CZ 4.12Å; L106-F160 HydrophobicContact CD1-CE1 4.03Å; L106-F160 HydrophobicContact CG-CE1 3.93Å; P143-F160 HydrophobicContact CG-CD1 4.39Å; P143-F160 HydrophobicContact CG-CE1 3.8Å; F160-D162 VanDerWaalsContact C-N 3.28Å; F160-D162 PolarHBondContact O-N 2.9Å; F160-L163 HydrophobicContact CB-CB 4.46Å; F160-L163 HydrophobicContact CD1-CD1 4.19Å; F160-L163 CarbonylContact O-C 3.59Å; F160-L163 WeakPolarHBondContact O-CA 3.29Å; F160-L163 PolarHBondContact O-N 2.87Å; F160-G164 PolarHBondContact O-N 3.22Å; F160-N165 VanDerWaalsContact O-CA 3.23Å; F160-N165 WeakPolarHBondContact O-CA 3.13Å; F160-N165 PolarHBondContact O-N 3.37Å; F160-T166 WeakPolarHBondContact CD2-O 3.49Å; F160-D167 WeakPolarHBondContact CD2-OD1 3.12Å; F160-D167 HydrophobicContact CE2-CB 4.41Å; F160-D167 WeakPolarHBondContact CE2-OD1 3.19Å; F160-F169 AromaticContact CD1-CE1 3.99Å; F160-F169 HydrophobicContact CD1-CE1 3.99Å; F160-F169 HydrophobicContact CD2-CD1 4.33Å; F160-F169 AromaticContact CD2-CE1 4Å; F160-F169 HydrophobicContact CD2-CE1 4Å; F160-F169 AromaticContact CE1-CE1 3.88Å; F160-F169 HydrophobicContact CE1-CE1 3.88Å; F160-F169 HydrophobicContact CE1-CZ 4.39Å; F160-F169 HydrophobicContact CE2-CD1 4.45Å; F160-F169 AromaticContact CE2-CE1 3.82Å; F160-F169 HydrophobicContact CE2-CE1 3.82Å; F160-F169 HydrophobicContact CG-CE1 4.09Å; F160-F169 AromaticContact CZ-CE1 3.77Å; F160-F169 HydrophobicContact CZ-CE1 3.77Å; F160-F169 HydrophobicContact CZ-CZ 4.47Å
161T86.6Confident89.7Confident100 Ų10060.1 Ų60.161%0.61334%0.335SS*.G310 helixtrans-56-45.7-177.4-46.20000111.1V158 L163V158-T161 PolarHBondContact O-OG1 3.19Å; T161-L163 PolarHBondContact O-N 3.49Å
162D82.2Confident89.8Confident66 Ų6663.4 Ų63.435%0.35334%0.337SS..G310 helixtrans-74.8-8.3178.2-65.4-0.4000113.6V157 F160 R177V157-D162 HydrophobicContact CG1-CB 4.23Å; F160-D162 VanDerWaalsContact C-N 3.28Å; F160-D162 PolarHBondContact O-N 2.9Å; D162-R177 IonicContact OD2-CZ 2.71Å; D162-R177 IonicContact OD2-NE 2.69Å; D162-R177 PolarHBondContact OD2-NE 3.44Å; D162-R177 VanDerWaalsContact OD2-NE 3.1Å; D162-R177 IonicContact OD2-NH2 2.74Å; D162-R177 PolarHBondContact OD2-NH2 3.39Å
163L84.9Confident89.9Confident0 Ų056.3 Ų56.30%031%0.307CS..G310 helixtrans-110.920.5-176.3-54175.8000111.5V157 F160 T161 F169 V173 L174 R177 L196V157-L163 HydrophobicContact CG1-CD1 4.4Å; V157-L163 HydrophobicContact CG1-CG 4.36Å; F160-L163 HydrophobicContact CB-CB 4.46Å; F160-L163 HydrophobicContact CD1-CD1 4.19Å; F160-L163 CarbonylContact O-C 3.59Å; F160-L163 WeakPolarHBondContact O-CA 3.29Å; F160-L163 PolarHBondContact O-N 2.87Å; T161-L163 PolarHBondContact O-N 3.49Å; L163-F169 HydrophobicContact CB-CB 4.45Å; L163-F169 HydrophobicContact CB-CD1 4.08Å; L163-F169 HydrophobicContact CB-CG 4.1Å; L163-F169 HydrophobicContact CD1-CD1 4.13Å; L163-F169 HydrophobicContact CD1-CD2 4.21Å; L163-F169 HydrophobicContact CD1-CE1 3.75Å; L163-F169 HydrophobicContact CD1-CE2 3.86Å; L163-F169 HydrophobicContact CD1-CG 4.35Å; L163-F169 HydrophobicContact CD1-CZ 3.61Å; L163-V173 HydrophobicContact CB-CG1 4.49Å; L163-V173 HydrophobicContact CD2-CG1 4Å; L163-L174 HydrophobicContact CD1-CD1 4.18Å; L163-L174 HydrophobicContact CD2-CD1 4.13Å; L163-R177 HydrophobicContact CD2-CB 4.14Å; L163-R177 HydrophobicContact CD2-CG 4.32Å; L163-L196 VanDerWaalsContact O-CD2 3.31Å; L163-L196 WeakPolarHBondContact O-CD2 3.25Å
164G82.5Confident89.8Confident41 Ų4153.6 Ų53.642%0.42329%0.29SS..THydrogen-bonded Turntrans84.61218000000114.7F160 T166F160-G164 PolarHBondContact O-N 3.22Å; G164-T166 PolarHBondContact O-N 3.12Å; G164-T166 VanDerWaalsContact O-N 3.08Å
165N86.8Confident89.8Confident106 Ų10648.2 Ų48.257%0.56727%0.267SS*.THydrogen-bonded Turntrans51.530.7179.2-162.733000114F160F160-N165 VanDerWaalsContact O-CA 3.23Å; F160-N165 WeakPolarHBondContact O-CA 3.13Å; F160-N165 PolarHBondContact O-N 3.37Å
166T87.3Confident89.7Confident49 Ų4947.8 Ų47.830%0.30126%0.261SS..  trans-114.5148.3177.2-1800000109.7F160 G164 E168 F169F160-T166 WeakPolarHBondContact CD2-O 3.49Å; G164-T166 PolarHBondContact O-N 3.12Å; G164-T166 VanDerWaalsContact O-N 3.08Å; T166-E168 PolarHBondContact OG1-N 3.16Å; T166-F169 HydrophobicContact CG2-CB 4.21Å; T166-F169 WeakPolarHBondContact O-CD1 3.4Å
167D88.8Confident89.7Confident64 Ų6446.1 Ų46.134%0.34226%0.255SS..SBendtrans-79.8-10.7173.7-68.1-13.8000111.9R102 I105 F160R102-D167 IonicContact CZ-OD1 3.09Å; R102-D167 IonicContact NE-OD1 3.56Å; R102-D167 PolarHBondContact NE-OD1 3.33Å; R102-D167 IonicContact NE-OD2 3.21Å; R102-D167 IonicContact NH2-OD1 3.79Å; I105-D167 HydrophobicContact CD1-CB 3.75Å; F160-D167 WeakPolarHBondContact CD2-OD1 3.12Å; F160-D167 HydrophobicContact CE2-CB 4.41Å; F160-D167 WeakPolarHBondContact CE2-OD1 3.19Å
168E88.6Confident89.6Confident177 Ų17746 Ų4683%0.82725%0.254SS*.  trans-11043.6-175.6-61-175.7174.400112.8T166T166-E168 PolarHBondContact OG1-N 3.16Å
169F90Very high89.6Confident7 Ų743.5 Ų43.53%0.03124%0.239CC..  trans-79.8151.5174.765.3-92000111.9I105 L106 H109 F160 L163 T166 L174I105-F169 HydrophobicContact CG2-CE1 3.97Å; I105-F169 HydrophobicContact CG2-CZ 4.11Å; L106-F169 HydrophobicContact CD2-CZ 3.98Å; H109-F169 AromaticContact CD2-CE2 3.47Å; H109-F169 VanDerWaalsContact CD2-CE2 3.47Å; H109-F169 WeakPolarHBondContact CD2-CE2 3.37Å; H109-F169 AromaticContact CD2-CZ 3.64Å; H109-F169 PolarHBondContact CE1-O 3.39Å; H109-F169 VanDerWaalsContact CE1-O 3.24Å; H109-F169 AromaticContact CG-CE2 3.96Å; H109-F169 AromaticContact NE2-CE2 3.71Å; H109-F169 AromaticContact NE2-CZ 3.98Å; H109-F169 PolarHBondContact NE2-O 3.34Å; F160-F169 AromaticContact CD1-CE1 3.99Å; F160-F169 HydrophobicContact CD1-CE1 3.99Å; F160-F169 HydrophobicContact CD2-CD1 4.33Å; F160-F169 AromaticContact CD2-CE1 4Å; F160-F169 HydrophobicContact CD2-CE1 4Å; F160-F169 AromaticContact CE1-CE1 3.88Å; F160-F169 HydrophobicContact CE1-CE1 3.88Å; F160-F169 HydrophobicContact CE1-CZ 4.39Å; F160-F169 HydrophobicContact CE2-CD1 4.45Å; F160-F169 AromaticContact CE2-CE1 3.82Å; F160-F169 HydrophobicContact CE2-CE1 3.82Å; F160-F169 HydrophobicContact CG-CE1 4.09Å; F160-F169 AromaticContact CZ-CE1 3.77Å; F160-F169 HydrophobicContact CZ-CE1 3.77Å; F160-F169 HydrophobicContact CZ-CZ 4.47Å; L163-F169 HydrophobicContact CB-CB 4.45Å; L163-F169 HydrophobicContact CB-CD1 4.08Å; L163-F169 HydrophobicContact CB-CG 4.1Å; L163-F169 HydrophobicContact CD1-CD1 4.13Å; L163-F169 HydrophobicContact CD1-CD2 4.21Å; L163-F169 HydrophobicContact CD1-CE1 3.75Å; L163-F169 HydrophobicContact CD1-CE2 3.86Å; L163-F169 HydrophobicContact CD1-CG 4.35Å; L163-F169 HydrophobicContact CD1-CZ 3.61Å; T166-F169 HydrophobicContact CG2-CB 4.21Å; T166-F169 WeakPolarHBondContact O-CD1 3.4Å; F169-L174 HydrophobicContact CD2-CB 4.36Å; F169-L174 HydrophobicContact CE2-CB 3.94Å; F169-L174 HydrophobicContact CE2-CD2 4.33Å
170S91.7Very high89.8Confident46 Ų4645.7 Ų45.732%0.32225%0.253SS..  trans-80.3154.2177.273.10000111.7E172 V173 L174S170-E172 PolarHBondContact O-N 2.82Å; S170-E172 VanDerWaalsContact O-N 3.13Å; S170-V173 PolarHBondContact O-N 3.45Å; S170-V173 VanDerWaalsContact O-N 3.09Å; S170-V173 WeakPolarHBondContact OG-CG2 3.45Å; S170-V173 PolarHBondContact OG-N 3.12Å; S170-L174 PolarHBondContact O-N 2.94Å
171T93.4Very high89.8Confident32 Ų3246.2 Ų46.220%0.19626%0.257CS..Hα-helixtrans-56.3-30.7174.1-52.60000112.1H109 I112 L113 L174 E175H109-T171 PolarHBondContact ND1-OG1 3.21Å; I112-T171 HydrophobicContact CB-CG2 4.42Å; I112-T171 HydrophobicContact CG2-CG2 4.25Å; L113-T171 HydrophobicContact CD1-CG2 4.28Å; L113-T171 HydrophobicContact CD2-CG2 3.72Å; L113-T171 HydrophobicContact CG-CG2 3.76Å; T171-L174 PolarHBondContact O-N 3.32Å; T171-E175 WeakPolarHBondContact O-CB 3.28Å; T171-E175 PolarHBondContact O-N 3.37Å
172E91.6Very high90Very high121 Ų12145.4 Ų45.457%0.56525%0.249SC*.Hα-helixtrans-66-36.5179.2-61.9163.4172.100112.3S170 E175 W176 P194S170-E172 PolarHBondContact O-N 2.82Å; S170-E172 VanDerWaalsContact O-N 3.13Å; E172-E175 PolarHBondContact O-N 3.12Å; E172-W176 VanDerWaalsContact O-CB 3.28Å; E172-W176 WeakPolarHBondContact O-CB 3.42Å; E172-W176 PolarHBondContact O-N 2.93Å; E172-P194 HydrophobicContact CB-CB 4.35Å; E172-P194 HydrophobicContact CB-CG 4.31Å
173V92.3Very high90.5Very high7 Ų742.3 Ų42.34%0.04223%0.232CC..Hα-helixtrans-65.1-45.3176.1171.50000110.1L163 S170 W176 R177 P194 L196L163-V173 HydrophobicContact CB-CG1 4.49Å; L163-V173 HydrophobicContact CD2-CG1 4Å; S170-V173 PolarHBondContact O-N 3.45Å; S170-V173 VanDerWaalsContact O-N 3.09Å; S170-V173 WeakPolarHBondContact OG-CG2 3.45Å; S170-V173 PolarHBondContact OG-N 3.12Å; V173-W176 PolarHBondContact O-N 2.82Å; V173-R177 WeakPolarHBondContact O-CB 3.32Å; V173-R177 PolarHBondContact O-N 3.31Å; V173-P194 HydrophobicContact CG2-CB 4.15Å; V173-L196 HydrophobicContact CB-CD2 4.42Å; V173-L196 HydrophobicContact CG1-CD2 3.75Å; V173-L196 HydrophobicContact CG2-CD2 3.87Å; V173-L196 HydrophobicContact CG2-CG 4.43Å
174L93.1Very high90.9Very high0 Ų042.4 Ų42.40%023%0.233CC..Hα-helixtrans-64.4-43.5175.8-179.461.7000111.1L106 H109 L110 L113 L145 L163 F169 S170 T171 R177 L178L106-L174 HydrophobicContact CD2-CD1 4.19Å; L106-L174 HydrophobicContact CD2-CD2 3.75Å; H109-L174 HydrophobicContact CB-CD2 3.62Å; L110-L174 HydrophobicContact CD2-CD2 4.06Å; L110-L174 HydrophobicContact CG-CD2 4.45Å; L113-L174 HydrophobicContact CD1-CB 4.36Å; L113-L174 HydrophobicContact CD1-CD2 3.77Å; L113-L174 HydrophobicContact CD1-CG 3.87Å; L145-L174 HydrophobicContact CD1-CD1 3.83Å; L163-L174 HydrophobicContact CD1-CD1 4.18Å; L163-L174 HydrophobicContact CD2-CD1 4.13Å; F169-L174 HydrophobicContact CD2-CB 4.36Å; F169-L174 HydrophobicContact CE2-CB 3.94Å; F169-L174 HydrophobicContact CE2-CD2 4.33Å; S170-L174 PolarHBondContact O-N 2.94Å; T171-L174 PolarHBondContact O-N 3.32Å; L174-R177 PolarHBondContact O-N 3.08Å; L174-L178 HydrophobicContact CD1-CG 4.48Å; L174-L178 HydrophobicContact CG-CD1 4.45Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 3.3Å; L174-L178 PolarHBondContact O-N 3.19Å
175E93.5Very high91.3Very high8 Ų844.8 Ų44.84%0.03724%0.236CC..Hα-helixtrans-57.1-50.4175.5-165.1-178.8165.400111.2L113 K116 H117 T171 E172 R177 L178 G179 I184 Y186L113-E175 HydrophobicContact CD2-CB 3.81Å; L113-E175 HydrophobicContact CD2-CG 3.8Å; K116-E175 VanDerWaalsContact CE-OE1 3.3Å; K116-E175 WeakPolarHBondContact CE-OE1 3.26Å; K116-E175 IonicContact NZ-OE1 2.87Å; K116-E175 PolarHBondContact NZ-OE1 3.35Å; K116-E175 IonicContact NZ-OE2 3.12Å; K116-E175 PolarHBondContact NZ-OE2 3.47Å; H117-E175 IonicContact CE1-OE1 3.99Å; H117-E175 PolarHBondContact CE1-OE1 3.43Å; H117-E175 IonicContact NE2-OE1 3.62Å; H117-E175 PolarHBondContact NE2-OE1 3.02Å; H117-E175 VanDerWaalsContact NE2-OE1 3.1Å; T171-E175 WeakPolarHBondContact O-CB 3.28Å; T171-E175 PolarHBondContact O-N 3.37Å; E172-E175 PolarHBondContact O-N 3.12Å; E175-R177 VanDerWaalsContact C-N 3.32Å; E175-R177 PolarHBondContact O-N 3.48Å; E175-L178 PolarHBondContact O-N 3.41Å; E175-G179 PolarHBondContact O-N 3.31Å; E175-I184 HydrophobicContact CB-CD1 4.46Å; E175-I184 HydrophobicContact CG-CD1 3.54Å; E175-I184 WeakPolarHBondContact O-CD1 3.42Å; E175-Y186 HydrophobicContact CG-CD2 3.97Å; E175-Y186 HydrophobicContact CG-CE2 4.18Å
176W92.5Very high91.4Very high46 Ų4642.3 Ų42.317%0.17422%0.219CC..Hα-helixtrans-57-45.9176.9174.788.2000111.4E172 V173 L178 G179 C180 Y186 N189 L190 P193 P194E172-W176 VanDerWaalsContact O-CB 3.28Å; E172-W176 WeakPolarHBondContact O-CB 3.42Å; E172-W176 PolarHBondContact O-N 2.93Å; V173-W176 PolarHBondContact O-N 2.82Å; W176-L178 VanDerWaalsContact C-N 3.33Å; W176-L178 PolarHBondContact O-N 2.97Å; W176-G179 CarbonylContact O-C 3.42Å; W176-G179 WeakPolarHBondContact O-CA 3.37Å; W176-G179 PolarHBondContact O-N 3.43Å; W176-C180 VanDerWaalsContact CE2-SG 3.51Å; W176-C180 VanDerWaalsContact CZ2-SG 3.55Å; W176-C180 PolarHBondContact O-N 3.42Å; W176-C180 PolarHBondContact O-SG 3.18Å; W176-Y186 HydrophobicContact CB-CE2 4.3Å; W176-Y186 AromaticContact CD1-CE1 3.78Å; W176-Y186 AromaticContact CD1-CZ 3.9Å; W176-N189 PolarHBondContact NE1-O 2.97Å; W176-L190 WeakPolarHBondContact CZ2-O 3.4Å; W176-L190 PolarHBondContact NE1-O 2.91Å; W176-P193 HydrophobicContact CD2-CB 4.2Å; W176-P193 HydrophobicContact CE3-CB 4.24Å; W176-P193 HydrophobicContact CH2-CB 3.84Å; W176-P193 HydrophobicContact CZ2-CB 3.75Å; W176-P193 HydrophobicContact CZ2-CG 4.42Å; W176-P193 HydrophobicContact CZ3-CB 4.07Å; W176-P194 HydrophobicContact CB-CG 3.81Å; W176-P194 VanDerWaalsContact CG-CD 3.43Å; W176-P194 HydrophobicContact CG-CG 4.18Å
177R93Very high91Very high30 Ų3045.5 Ų45.511%0.11324%0.243CC..Hα-helixtrans-61.7-39.4179.4-179.462.5-173.295.5-3.3112.8D155 Y156 V157 D162 L163 V173 L174 E175 S181D155-R177 IonicContact OD1-NH2 3.45Å; D155-R177 IonicContact OD2-CZ 2.89Å; D155-R177 IonicContact OD2-NH1 3.1Å; D155-R177 PolarHBondContact OD2-NH1 3.46Å; D155-R177 IonicContact OD2-NH2 3.53Å; D155-R177 PolarHBondContact OD2-NH2 2.98Å; Y156-R177 PolarHBondContact O-NH2 3.32Å; V157-R177 HydrophobicContact CG2-CG 3.83Å; D162-R177 IonicContact OD2-CZ 2.71Å; D162-R177 IonicContact OD2-NE 2.69Å; D162-R177 PolarHBondContact OD2-NE 3.44Å; D162-R177 VanDerWaalsContact OD2-NE 3.1Å; D162-R177 IonicContact OD2-NH2 2.74Å; D162-R177 PolarHBondContact OD2-NH2 3.39Å; L163-R177 HydrophobicContact CD2-CB 4.14Å; L163-R177 HydrophobicContact CD2-CG 4.32Å; V173-R177 WeakPolarHBondContact O-CB 3.32Å; V173-R177 PolarHBondContact O-N 3.31Å; L174-R177 PolarHBondContact O-N 3.08Å; E175-R177 VanDerWaalsContact C-N 3.32Å; E175-R177 PolarHBondContact O-N 3.48Å; R177-S181 PolarHBondContact NH1-OG 3.48Å; R177-S181 PolarHBondContact O-OG 3.03Å
178L93.5Very high90.5Very high0 Ų044 Ų440%024%0.243CC..Hα-helixtrans-67-38.2172.4-65.8178.6000111.2V92 L113 F122 L147 L174 E175 W176 S181 D182 V183 I184V92-L178 HydrophobicContact CG1-CD2 4.26Å; V92-L178 HydrophobicContact CG2-CD2 4.14Å; L113-L178 HydrophobicContact CD1-CD1 3.97Å; F122-L178 HydrophobicContact CE1-CD1 3.97Å; F122-L178 HydrophobicContact CZ-CD1 4.42Å; L147-L178 HydrophobicContact CD1-CD2 3.93Å; L147-L178 HydrophobicContact CD2-CD2 3.36Å; L147-L178 HydrophobicContact CG-CD2 4.32Å; L174-L178 HydrophobicContact CD1-CG 4.48Å; L174-L178 HydrophobicContact CG-CD1 4.45Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 3.3Å; L174-L178 PolarHBondContact O-N 3.19Å; E175-L178 PolarHBondContact O-N 3.41Å; W176-L178 VanDerWaalsContact C-N 3.33Å; W176-L178 PolarHBondContact O-N 2.97Å; L178-S181 PolarHBondContact O-N 3.21Å; L178-S181 VanDerWaalsContact O-N 3.17Å; L178-D182 PolarHBondContact O-N 2.85Å; L178-V183 HydrophobicContact CB-CG2 4.03Å; L178-V183 HydrophobicContact CD2-CG2 4.12Å; L178-V183 VanDerWaalsContact O-CG2 3.26Å; L178-V183 WeakPolarHBondContact O-CG2 3.39Å; L178-V183 PolarHBondContact O-N 2.92Å; L178-I184 HydrophobicContact CB-CD1 3.86Å; L178-I184 HydrophobicContact CB-CG1 3.91Å; L178-I184 HydrophobicContact CB-CG2 4.17Å; L178-I184 HydrophobicContact CD1-CG2 4.37Å
179G92.4Very high90Very high4 Ų439.7 Ų39.74%0.04123%0.226CC..Hα-helixtrans-60.6-41.7174.700000112.9E175 W176 S181 D182E175-G179 PolarHBondContact O-N 3.31Å; W176-G179 CarbonylContact O-C 3.42Å; W176-G179 WeakPolarHBondContact O-CA 3.37Å; W176-G179 PolarHBondContact O-N 3.43Å; G179-S181 PolarHBondContact O-N 3.43Å; G179-S181 VanDerWaalsContact O-N 3.14Å; G179-D182 PolarHBondContact O-N 2.86Å
180C90.6Very high89.4Confident54 Ų5442.7 Ų42.737%0.36524%0.242SC..Hα-helixtrans-57.9-27.3175.1-63.80000113.3W176 D182W176-C180 VanDerWaalsContact CE2-SG 3.51Å; W176-C180 VanDerWaalsContact CZ2-SG 3.55Å; W176-C180 PolarHBondContact O-N 3.42Å; W176-C180 PolarHBondContact O-SG 3.18Å; C180-D182 VanDerWaalsContact C-N 3.34Å
181S89.9Confident88.4Confident13 Ų1348 Ų489%0.09126%0.264CS..THydrogen-bonded Turntrans-922.2178.6-49.70000113.1L147 D155 R177 L178 G179 V183L147-S181 VanDerWaalsContact CD1-OG 3.24Å; L147-S181 WeakPolarHBondContact CD1-OG 3.18Å; D155-S181 PolarHBondContact OD2-OG 3.13Å; R177-S181 PolarHBondContact NH1-OG 3.48Å; R177-S181 PolarHBondContact O-OG 3.03Å; L178-S181 PolarHBondContact O-N 3.21Å; L178-S181 VanDerWaalsContact O-N 3.17Å; G179-S181 PolarHBondContact O-N 3.43Å; G179-S181 VanDerWaalsContact O-N 3.14Å; S181-V183 PolarHBondContact O-N 3.12Å; S181-V183 VanDerWaalsContact O-N 3.11Å
182D91.1Very high87.4Confident83 Ų8353 Ų5344%0.44429%0.285SS..THydrogen-bonded Turntrans52.831.4-177.4-174.317.9000112.6R90 K149 L178 G179 C180R90-D182 IonicContact CZ-OD1 3.68Å; R90-D182 PolarHBondContact NH1-O 2.9Å; R90-D182 IonicContact NH1-OD1 3.05Å; R90-D182 IonicContact NH2-OD1 3.53Å; R90-D182 PolarHBondContact NH2-OD1 3.17Å; K149-D182 WeakPolarHBondContact CD-O 3.46Å; K149-D182 PolarHBondContact NZ-O 3.19Å; K149-D182 IonicContact NZ-OD1 2.81Å; K149-D182 PolarHBondContact NZ-OD1 3.26Å; K149-D182 VanDerWaalsContact NZ-OD1 3.09Å; K149-D182 IonicContact NZ-OD2 2.69Å; K149-D182 PolarHBondContact NZ-OD2 2.58Å; L178-D182 PolarHBondContact O-N 2.85Å; G179-D182 PolarHBondContact O-N 2.86Å; C180-D182 VanDerWaalsContact C-N 3.34Å
183V92.8Very high86.6Confident0 Ų051 Ų510%028%0.282CS..SBendtrans-89.7-20.1172.7-66.70000112.3R90 V92 T120 L147 K149 L178 S181R90-V183 WeakPolarHBondContact CB-O 3.31Å; R90-V183 VanDerWaalsContact CD-O 3.24Å; R90-V183 WeakPolarHBondContact CD-O 3.49Å; R90-V183 WeakPolarHBondContact CG-O 3.48Å; R90-V183 VanDerWaalsContact NH1-C 3.33Å; R90-V183 PolarHBondContact NH1-O 3.31Å; V92-V183 HydrophobicContact CG2-CB 4.49Å; V92-V183 HydrophobicContact CG2-CG2 4.07Å; T120-V183 PolarHBondContact OG1-O 3.29Å; L147-V183 HydrophobicContact CB-CG1 3.81Å; L147-V183 HydrophobicContact CB-CG2 4.28Å; L147-V183 HydrophobicContact CD1-CG2 4.16Å; L147-V183 HydrophobicContact CD2-CG2 4.34Å; K149-V183 HydrophobicContact CB-CG1 4.45Å; L178-V183 HydrophobicContact CB-CG2 4.03Å; L178-V183 HydrophobicContact CD2-CG2 4.12Å; L178-V183 VanDerWaalsContact O-CG2 3.26Å; L178-V183 WeakPolarHBondContact O-CG2 3.39Å; L178-V183 PolarHBondContact O-N 2.92Å; S181-V183 PolarHBondContact O-N 3.12Å; S181-V183 VanDerWaalsContact O-N 3.11Å
184I93.9Very high85.8Confident3 Ų351.9 Ų51.92%0.01529%0.288CS..SBendtrans-122162170.963.6165.4000110.6R90 H117 T120 F122 E175 L178 Y186R90-I184 VanDerWaalsContact NH1-C 3.28Å; R90-I184 PolarHBondContact NH1-O 2.85Å; H117-I184 HydrophobicContact CB-CG2 4.25Å; T120-I184 HydrophobicContact CG2-CG2 4.17Å; F122-I184 HydrophobicContact CZ-CG2 4.1Å; E175-I184 HydrophobicContact CB-CD1 4.46Å; E175-I184 HydrophobicContact CG-CD1 3.54Å; E175-I184 WeakPolarHBondContact O-CD1 3.42Å; L178-I184 HydrophobicContact CB-CD1 3.86Å; L178-I184 HydrophobicContact CB-CG1 3.91Å; L178-I184 HydrophobicContact CB-CG2 4.17Å; L178-I184 HydrophobicContact CD1-CG2 4.37Å; I184-Y186 PolarHBondContact O-N 3.24Å
185N90.5Very high84.5Confident91 Ų9156.9 Ų56.949%0.48732%0.319SS..  trans-84.890.9169.3-67.7-15.3000109R90 E119R90-N185 PolarHBondContact NH1-OD1 3Å; E119-N185 HydrophobicContact CG-CB 4.32Å; E119-N185 WeakPolarHBondContact OE1-CB 3.37Å; E119-N185 PolarHBondContact OE1-N 3.46Å
186Y88.4Confident82.9Confident53 Ų5360.3 Ų60.321%0.20834%0.337CS..  trans-83.2128.5178.1-174.1-114.3000111E175 W176 I184 G188 L190E175-Y186 HydrophobicContact CG-CD2 3.97Å; E175-Y186 HydrophobicContact CG-CE2 4.18Å; W176-Y186 HydrophobicContact CB-CE2 4.3Å; W176-Y186 AromaticContact CD1-CE1 3.78Å; W176-Y186 AromaticContact CD1-CZ 3.9Å; I184-Y186 PolarHBondContact O-N 3.24Å; Y186-G188 WeakPolarHBondContact CD1-O 3.35Å; Y186-G188 WeakPolarHBondContact CE1-O 3.2Å; Y186-L190 HydrophobicContact CD1-CD1 3.67Å; Y186-L190 HydrophobicContact CD1-CG 4.09Å; Y186-L190 HydrophobicContact CE1-CD1 4.41Å
187S80.1Confident80.7Confident116 Ų11664.1 Ų64.181%0.81137%0.366SS*.  trans-93.4-4.4-179.161.90000114.2
188G78.1Confident78.3Confident33 Ų3370.7 Ų70.734%0.3440%0.397SS..SBendtrans-93.8-176.7-178.600000113.5Y186 L190Y186-G188 WeakPolarHBondContact CD1-O 3.35Å; Y186-G188 WeakPolarHBondContact CE1-O 3.2Å; G188-L190 PolarHBondContact O-N 3.41Å
189N77.4Confident75.9Confident86 Ų8680.5 Ų80.546%0.4644%0.44SS..  trans-78.9118.1175.4-170.7-17.2000110.3W176 M191W176-N189 PolarHBondContact NE1-O 2.97Å; N189-M191 VanDerWaalsContact C-N 3.27Å; N189-M191 PolarHBondContact O-N 3.2Å; N189-M191 WeakPolarHBondContact OD1-CB 3.48Å; N189-M191 PolarHBondContact OD1-N 3.34Å
190L77.8Confident73.5Confident70 Ų7086.5 Ų86.537%0.36648%0.481SS..SBendtrans-72.9-19.4178.5-78.280.9000113W176 Y186 G188W176-L190 WeakPolarHBondContact CZ2-O 3.4Å; W176-L190 PolarHBondContact NE1-O 2.91Å; Y186-L190 HydrophobicContact CD1-CD1 3.67Å; Y186-L190 HydrophobicContact CD1-CG 4.09Å; Y186-L190 HydrophobicContact CE1-CD1 4.41Å; G188-L190 PolarHBondContact O-N 3.41Å
191M70.8Confident71Confident159 Ų15987.1 Ų87.178%0.78350%0.497SS*.SBendtrans-82.5-22.4-177.4-61.9-66105.200113.1N189N189-M191 VanDerWaalsContact C-N 3.27Å; N189-M191 PolarHBondContact O-N 3.2Å; N189-M191 WeakPolarHBondContact OD1-CB 3.48Å; N189-M191 PolarHBondContact OD1-N 3.34Å
192E73.2Confident68.9Low137 Ų13791.6 Ų91.664%0.6453%0.528SS*.SBendtrans-113.7103.7-179.6-70.7179-171.800109.1
193P73.4Confident66.5Low77 Ų7797 Ų9750%0.555%0.548SS..PPolyproline II helixtrans-61.1141175.424.3-31.5000109.7W176 T195W176-P193 HydrophobicContact CD2-CB 4.2Å; W176-P193 HydrophobicContact CE3-CB 4.24Å; W176-P193 HydrophobicContact CH2-CB 3.84Å; W176-P193 HydrophobicContact CZ2-CB 3.75Å; W176-P193 HydrophobicContact CZ2-CG 4.42Å; W176-P193 HydrophobicContact CZ3-CB 4.07Å; P193-T195 PolarHBondContact O-N 2.8Å
194P75.6Confident63.9Low27 Ų27105.9 Ų105.918%0.17559%0.586CS.*PPolyproline II helixtrans-53.5128.9170-19.929.2000108.8E172 V173 W176 L196E172-P194 HydrophobicContact CB-CB 4.35Å; E172-P194 HydrophobicContact CB-CG 4.31Å; V173-P194 HydrophobicContact CG2-CB 4.15Å; W176-P194 HydrophobicContact CB-CG 3.81Å; W176-P194 VanDerWaalsContact CG-CD 3.43Å; W176-P194 HydrophobicContact CG-CG 4.18Å; P194-L196 PolarHBondContact O-N 3.22Å
195T67.1Low61.4Low104 Ų104111.5 Ų111.564%0.63862%0.621SS**PPolyproline II helixtrans-54.7119-179.640.30000110.1P193 T197P193-T195 PolarHBondContact O-N 2.8Å; T195-T197 PolarHBondContact O-N 3.4Å
196L59.7Low58.9Low81 Ų81114.6 Ų114.642%0.42463%0.63SS.*SBendtrans-62-3.4-174.7-83.6159.2000115.1L163 V173 P194L163-L196 VanDerWaalsContact O-CD2 3.31Å; L163-L196 WeakPolarHBondContact O-CD2 3.25Å; V173-L196 HydrophobicContact CB-CD2 4.42Å; V173-L196 HydrophobicContact CG1-CD2 3.75Å; V173-L196 HydrophobicContact CG2-CD2 3.87Å; V173-L196 HydrophobicContact CG2-CG 4.43Å; P194-L196 PolarHBondContact O-N 3.22Å
197T44.8Very low56.6Low126 Ų126117.8 Ų117.877%0.77366%0.655SS**SBendtrans-151.575.9-179.554.20000110.8T195T195-T197 PolarHBondContact O-N 3.4Å
198Q43.5Very low54.6Low168 Ų168118.7 Ų118.779%0.78565%0.646SS**  trans-136.2120.5152.4-72-149.9-14.500110.3
199K42.5Very low52.9Low206 Ų206126.3 Ų126.390%0.89667%0.67SS**  trans-45.1147.6162.4-68.4176.3176177.90108.9G201K199-G201 VanDerWaalsContact C-N 3.29Å; K199-G201 PolarHBondContact O-N 3.06Å
200S41.5Very low51.3Low130 Ų130131.4 Ų131.491%0.90969%0.688SS**  trans-55.789.217755.80000111.9
201G38.7Very low49.6Very low66 Ų66133.9 Ų133.968%0.6871%0.706SS**  trans-86.4108.7164.500000107.6K199 K203K199-G201 VanDerWaalsContact C-N 3.29Å; K199-G201 PolarHBondContact O-N 3.06Å; G201-K203 PolarHBondContact O-N 2.86Å
202S46.8Very low48.8Very low107 Ų107134.3 Ų134.375%0.74871%0.71SS**  trans-31.9119.5171.8177.10000113.6
203K39.5Very low47.3Very low198 Ų198138.7 Ų138.786%0.86172%0.721SS**  trans-131.967.1148.2-70.9-169.2-177177.30108.9G201 T205G201-K203 PolarHBondContact O-N 2.86Å; K203-T205 PolarHBondContact O-N 3.27Å; K203-T205 VanDerWaalsContact O-N 3.15Å
204F39.3Very low45.7Very low185 Ų185138.7 Ų138.781%0.81174%0.735SS**  trans-70.5100.4159.1-137.9-92.6000106.7K206F204-K206 PolarHBondContact O-N 2.97Å
205T40Very low44Very low122 Ų122149.4 Ų149.475%0.74877%0.772SS**  trans-65.291.8161.447.10000106.8K203 V207K203-T205 PolarHBondContact O-N 3.27Å; K203-T205 VanDerWaalsContact O-N 3.15Å; T205-V207 VanDerWaalsContact C-N 3.29Å; T205-V207 PolarHBondContact O-N 3.45Å
206K38.1Very low42.5Very low155 Ų155147 Ų14767%0.67477%0.767SS**  trans-6590.5174.1-172.2-167.6-176.4-152.10108F204 E208F204-K206 PolarHBondContact O-N 2.97Å; K206-E208 HydrophobicContact CD-CG 4.21Å; K206-E208 HydrophobicContact CG-CG 4.27Å; K206-E208 IonicContact NZ-OE1 3.1Å; K206-E208 PolarHBondContact NZ-OE1 3.29Å; K206-E208 PolarHBondContact O-N 3.04Å; K206-E208 VanDerWaalsContact O-N 3.15Å
207V41Very low41.4Very low121 Ų121151.4 Ų151.473%0.73379%0.786SS**  trans-72.5101.7164.8177.90000106.5T205 K209T205-V207 VanDerWaalsContact C-N 3.29Å; T205-V207 PolarHBondContact O-N 3.45Å; V207-K209 PolarHBondContact O-N 3.1Å; V207-K209 VanDerWaalsContact O-N 3.11Å
208E38.3Very low41Very low134 Ų134151.7 Ų151.763%0.62678%0.782SS**  trans-66.9106.7172.5-68.3-168.7147.400109.4K206 K210K206-E208 HydrophobicContact CD-CG 4.21Å; K206-E208 HydrophobicContact CG-CG 4.27Å; K206-E208 IonicContact NZ-OE1 3.1Å; K206-E208 PolarHBondContact NZ-OE1 3.29Å; K206-E208 PolarHBondContact O-N 3.04Å; K206-E208 VanDerWaalsContact O-N 3.15Å; E208-K210 PolarHBondContact O-N 3.02Å; E208-K210 VanDerWaalsContact O-N 3.11Å
209K42.1Very low40.8Very low193 Ų193149.6 Ų149.684%0.83979%0.786SS**  trans-70100.7166.1-76.7-177.9176.3177.40108.4V207 T211V207-K209 PolarHBondContact O-N 3.1Å; V207-K209 VanDerWaalsContact O-N 3.11Å; K209-T211 PolarHBondContact O-N 3.3Å; K209-T211 VanDerWaalsContact O-N 3.17Å
210K44.7Very low41Very low194 Ų194147.9 Ų147.984%0.84379%0.787SS**  trans-69.2104.3162.3-73.3-174.9176.4179.90108.6E208 I212E208-K210 PolarHBondContact O-N 3.02Å; E208-K210 VanDerWaalsContact O-N 3.11Å; K210-I212 PolarHBondContact O-N 3.08Å
211T40.3Very low41.4Very low121 Ų121147.2 Ų147.274%0.74278%0.782SS**  trans-70.5113.6163.336.50000109K209 R213K209-T211 PolarHBondContact O-N 3.3Å; K209-T211 VanDerWaalsContact O-N 3.17Å; T211-R213 VanDerWaalsContact C-N 3.34Å; T211-R213 PolarHBondContact O-N 3.23Å
212I54.4Low41.7Very low169 Ų169147.8 Ų147.887%0.86779%0.788SS**  trans-7095163.7-68.2171.5000106.4K210K210-I212 PolarHBondContact O-N 3.08Å
213R41.3Very low41.8Very low228 Ų228148.4 Ų148.486%0.8679%0.792SS**PPolyproline II helixtrans-100125.2159-90.7-177168.4170.1-3.6107.2T211 R215T211-R213 VanDerWaalsContact C-N 3.34Å; T211-R213 PolarHBondContact O-N 3.23Å; R213-R215 PolarHBondContact O-N 2.91Å
214G40.3Very low42.4Very low77 Ų77147.1 Ų147.179%0.79479%0.789SS**PPolyproline II helixtrans-50132.6-177.500000112.2
215R39.8Very low42.9Very low252 Ų252145.3 Ų145.395%0.95179%0.788SS**PPolyproline II helixtrans-77120.6175.3-166176.9-171.5178.90.6107.7R213R213-R215 PolarHBondContact O-N 2.91Å
216G36.3Very low43.1Very low53 Ų53151 Ų15155%0.54681%0.814SS.*PPolyproline II helixtrans-78.7171.2167.700000112.8
217H35.4Very low43.4Very low175 Ų175150.8 Ų150.881%0.8182%0.821SS**  trans87.7127-172.5-63.292.1000113.1
218D37Very low43.5Very low131 Ų131152.3 Ų152.370%0.70183%0.825SS**  cis-163.61536.5-89.1-38.6000107.5
219S39Very low43.8Very low124 Ų124153.3 Ų153.387%0.86784%0.836SS**  trans-169.9103.4142.4-78.70000110.5
220D46.6Very low43.9Very low170 Ų170151 Ų15191%0.90984%0.836SS**  trans-55.5132.1156-95.2-39.8000110.7
221S50.6Low43.9Very low117 Ų117148.3 Ų148.382%0.81884%0.836SS**  trans-155.4107.5145.366.60000109.1
222G45Very low44.1Very low77 Ų77150.1 Ų150.179%0.79484%0.842SS**  trans-73.2157.6172.200000112.8
223S48.9Very low43.4Very low120 Ų120148.8 Ų148.884%0.83984%0.84SS**  trans-160.9132.2146.9560000108.5
224E51.3Low43.5Very low171 Ų171142.7 Ų142.780%0.79984%0.839SS**  trans-72176.6-174.7-62.2160.3129.600113.1
225D49.8Very low43.8Very low147 Ų147148.2 Ų148.279%0.78684%0.842SS**  trans111.1118.4143.8-61.1-35.6000119.7
226D45.9Very low44.2Very low241 Ų241138.7 Ų138.7100%1.28983%0.833SS**  trans60.10159.4-79.5-30000121.7

Retrieved 226 of 226 residues in 764 ms (Link to these results)

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