A0A077YZY6_TRITR Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YZY6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 491 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.8Very low46.5Very low156 Ų156100.4 Ų100.477%0.76855%0.547SS*.  0131.10-172.1172.9177.500107.5A5 I6M1-A5 HydrophobicContact CE-CB 4.17Å; M1-A5 WeakPolarHBondContact CE-O 3.39Å; M1-A5 HydrophobicContact CG-CB 4.11Å; M1-I6 HydrophobicContact CE-CG1 3.9Å; M1-I6 HydrophobicContact CG-CG1 4.08Å; M1-I6 HydrophobicContact SD-CG1 3.99Å
2S48.8Very low47.9Very low52 Ų5298.7 Ų98.736%0.36454%0.542SS..  trans-76.5155.3-176.661.40000112.1S4 A5 I6S2-S4 PolarHBondContact O-N 3.37Å; S2-S4 PolarHBondContact OG-OG 2.79Å; S2-A5 PolarHBondContact O-N 2.8Å; S2-A5 VanDerWaalsContact O-N 3.11Å; S2-A5 WeakPolarHBondContact OG-CB 3.12Å; S2-A5 PolarHBondContact OG-N 2.74Å; S2-A5 VanDerWaalsContact OG-N 3.12Å; S2-I6 PolarHBondContact O-N 3.02Å; S2-I6 VanDerWaalsContact O-N 3.15Å
3P38.8Very low48.4Very low104 Ų10499.7 Ų99.768%0.67553%0.533SS*.Hα-helixtrans-56-36.3171-26.135.5000112.8I6 L7P3-I6 PolarHBondContact O-N 3.38Å; P3-L7 WeakPolarHBondContact O-CB 3.39Å; P3-L7 PolarHBondContact O-N 3.33Å
4S42.4Very low48Very low82 Ų8295.1 Ų95.157%0.57351%0.511SS*.Hα-helixtrans-62.8-40174.851.50000113.3S2 I6 L7 A8S2-S4 PolarHBondContact O-N 3.37Å; S2-S4 PolarHBondContact OG-OG 2.79Å; S4-I6 VanDerWaalsContact C-N 3.3Å; S4-I6 PolarHBondContact O-N 3.12Å; S4-L7 PolarHBondContact O-N 3.21Å; S4-A8 WeakPolarHBondContact O-CB 3.47Å; S4-A8 PolarHBondContact O-N 2.94Å
5A52.2Low48.4Very low39 Ų3995.2 Ų95.232%0.32251%0.511SS..Hα-helixtrans-71.8-25.1176.700000112.8M1 S2 R9M1-A5 HydrophobicContact CE-CB 4.17Å; M1-A5 WeakPolarHBondContact CE-O 3.39Å; M1-A5 HydrophobicContact CG-CB 4.11Å; S2-A5 PolarHBondContact O-N 2.8Å; S2-A5 VanDerWaalsContact O-N 3.11Å; S2-A5 WeakPolarHBondContact OG-CB 3.12Å; S2-A5 PolarHBondContact OG-N 2.74Å; S2-A5 VanDerWaalsContact OG-N 3.12Å; A5-R9 WeakPolarHBondContact O-CB 3.4Å; A5-R9 PolarHBondContact O-N 2.8Å
6I42.2Very low49Very low93 Ų93101.7 Ų101.748%0.47753%0.526SS..Hα-helixtrans-74.9-47.7171.2-63.2171.1000109.6M1 S2 P3 S4 R9 L10M1-I6 HydrophobicContact CE-CG1 3.9Å; M1-I6 HydrophobicContact CG-CG1 4.08Å; M1-I6 HydrophobicContact SD-CG1 3.99Å; S2-I6 PolarHBondContact O-N 3.02Å; S2-I6 VanDerWaalsContact O-N 3.15Å; P3-I6 PolarHBondContact O-N 3.38Å; S4-I6 VanDerWaalsContact C-N 3.3Å; S4-I6 PolarHBondContact O-N 3.12Å; I6-R9 PolarHBondContact O-N 2.73Å; I6-L10 WeakPolarHBondContact O-CB 3.37Å; I6-L10 PolarHBondContact O-N 2.98Å
7L41.8Very low49.2Very low116 Ų11698.1 Ų98.161%0.60751%0.506SS*.Hα-helixtrans-56-51.9176.3-91.7158.9000112.4P3 S4 R9 L10 E11P3-L7 WeakPolarHBondContact O-CB 3.39Å; P3-L7 PolarHBondContact O-N 3.33Å; S4-L7 PolarHBondContact O-N 3.21Å; L7-R9 VanDerWaalsContact C-N 3.28Å; L7-R9 PolarHBondContact O-N 2.92Å; L7-L10 WeakPolarHBondContact O-CA 3.06Å; L7-L10 WeakPolarHBondContact O-CB 3.49Å; L7-L10 PolarHBondContact O-N 2.78Å; L7-E11 WeakPolarHBondContact O-CB 3.49Å; L7-E11 PolarHBondContact O-N 3.22Å
8A51.4Low49.4Very low49 Ų4995.9 Ų95.941%0.40549%0.493SS..Hα-helixtrans-63-32179.600000113.2S4 T12S4-A8 WeakPolarHBondContact O-CB 3.47Å; S4-A8 PolarHBondContact O-N 2.94Å; A8-T12 WeakPolarHBondContact O-CB 3.5Å; A8-T12 WeakPolarHBondContact O-CG2 3.24Å; A8-T12 PolarHBondContact O-N 3.33Å; A8-T12 PolarHBondContact O-OG1 3.13Å
9R58.6Low49.7Very low181 Ų18193.2 Ų93.268%0.68349%0.491SS*.Hα-helixtrans-71.8-35.5170.9-101.1-177.4167.9-170.6-2112.7A5 I6 L7 T12 W13A5-R9 WeakPolarHBondContact O-CB 3.4Å; A5-R9 PolarHBondContact O-N 2.8Å; I6-R9 PolarHBondContact O-N 2.73Å; L7-R9 VanDerWaalsContact C-N 3.28Å; L7-R9 PolarHBondContact O-N 2.92Å; R9-T12 PolarHBondContact O-OG1 3.04Å; R9-W13 WeakPolarHBondContact O-CB 3.5Å; R9-W13 PolarHBondContact O-N 3.08Å
10L39.5Very low50.1Low104 Ų10492.7 Ų92.755%0.54550%0.496SS..Hα-helixtrans-68.7-44.4176.7-158.581.3000110.4I6 L7 W13 V14I6-L10 WeakPolarHBondContact O-CB 3.37Å; I6-L10 PolarHBondContact O-N 2.98Å; L7-L10 WeakPolarHBondContact O-CA 3.06Å; L7-L10 WeakPolarHBondContact O-CB 3.49Å; L7-L10 PolarHBondContact O-N 2.78Å; L10-W13 PolarHBondContact O-N 3Å; L10-V14 WeakPolarHBondContact O-CB 3.28Å; L10-V14 VanDerWaalsContact O-CG2 3.3Å; L10-V14 WeakPolarHBondContact O-CG2 3.33Å; L10-V14 PolarHBondContact O-N 3.34Å
11E49Very low50.5Low128 Ų12888.5 Ų88.560%0.59847%0.473SS*.Hα-helixtrans-61-54.5176.8-171.7168.9-142.400111.4L7 W13 V14 D15L7-E11 WeakPolarHBondContact O-CB 3.49Å; L7-E11 PolarHBondContact O-N 3.22Å; E11-W13 PolarHBondContact O-N 3.28Å; E11-V14 PolarHBondContact O-N 3.12Å; E11-V14 VanDerWaalsContact O-N 3.07Å; E11-D15 PolarHBondContact O-N 3.3Å
12T63.2Low51Low80 Ų8082.3 Ų82.349%0.49145%0.447SS..Hα-helixtrans-65.9-19.8176.350.90000114.4A8 R9 R16A8-T12 WeakPolarHBondContact O-CB 3.5Å; A8-T12 WeakPolarHBondContact O-CG2 3.24Å; A8-T12 PolarHBondContact O-N 3.33Å; A8-T12 PolarHBondContact O-OG1 3.13Å; R9-T12 PolarHBondContact O-OG1 3.04Å; T12-R16 WeakPolarHBondContact O-CG 3.33Å
13W54.8Low51.7Low112 Ų11284.7 Ų84.742%0.42446%0.459SS..Hα-helixtrans-78.1-45.4168.5-176.290.5000111.3R9 L10 E11 D15 R16 Q17R9-W13 WeakPolarHBondContact O-CB 3.5Å; R9-W13 PolarHBondContact O-N 3.08Å; L10-W13 PolarHBondContact O-N 3Å; E11-W13 PolarHBondContact O-N 3.28Å; W13-D15 PolarHBondContact O-N 3.01Å; W13-R16 PolarHBondContact O-N 3.48Å; W13-Q17 HydrophobicContact CD2-CG 3.8Å; W13-Q17 HydrophobicContact CE3-CG 3.9Å; W13-Q17 HydrophobicContact CH2-CG 3.81Å; W13-Q17 HydrophobicContact CZ2-CG 3.69Å; W13-Q17 HydrophobicContact CZ3-CG 3.91Å; W13-Q17 WeakPolarHBondContact O-CG 3.32Å; W13-Q17 PolarHBondContact O-N 3.15Å
14V43Very low52.9Low36 Ų3683.4 Ų83.422%0.21845%0.446CS..Hα-helixtrans-59.3-44.4176.2164.90000111.3L10 E11 R16 Q17 Q18 P70L10-V14 WeakPolarHBondContact O-CB 3.28Å; L10-V14 VanDerWaalsContact O-CG2 3.3Å; L10-V14 WeakPolarHBondContact O-CG2 3.33Å; L10-V14 PolarHBondContact O-N 3.34Å; E11-V14 PolarHBondContact O-N 3.12Å; E11-V14 VanDerWaalsContact O-N 3.07Å; V14-R16 VanDerWaalsContact C-N 3.32Å; V14-R16 PolarHBondContact O-N 2.98Å; V14-Q17 PolarHBondContact O-N 3.36Å; V14-Q18 WeakPolarHBondContact O-CB 3.45Å; V14-Q18 PolarHBondContact O-N 3.35Å; V14-P70 HydrophobicContact CG1-CB 3.78Å; V14-P70 HydrophobicContact CG1-CG 3.75Å
15D53.5Low53.8Low96 Ų9679.6 Ų79.651%0.51342%0.419SS..Hα-helixtrans-61.2-40.6176.6-74.1-12.1000112E11 W13 Q18 G19E11-D15 PolarHBondContact O-N 3.3Å; W13-D15 PolarHBondContact O-N 3.01Å; D15-Q18 PolarHBondContact O-N 3.11Å; D15-G19 PolarHBondContact O-N 2.65Å
16R58.3Low54.3Low199 Ų19979.7 Ų79.775%0.75141%0.414SS*.Hα-helixtrans-66.5-43.3175.4-78.7178.2169.7-170.7-3.1112T12 W13 V14 G19T12-R16 WeakPolarHBondContact O-CG 3.33Å; W13-R16 PolarHBondContact O-N 3.48Å; V14-R16 VanDerWaalsContact C-N 3.32Å; V14-R16 PolarHBondContact O-N 2.98Å; R16-G19 PolarHBondContact O-N 2.85Å
17Q51.5Low55.3Low40 Ų4082 Ų8219%0.18742%0.418CS..Hα-helixtrans-68.6-36.2176.3-62.7-52-30.800112.1W13 V14 G19 S20 F21W13-Q17 HydrophobicContact CD2-CG 3.8Å; W13-Q17 HydrophobicContact CE3-CG 3.9Å; W13-Q17 HydrophobicContact CH2-CG 3.81Å; W13-Q17 HydrophobicContact CZ2-CG 3.69Å; W13-Q17 HydrophobicContact CZ3-CG 3.91Å; W13-Q17 WeakPolarHBondContact O-CG 3.32Å; W13-Q17 PolarHBondContact O-N 3.15Å; V14-Q17 PolarHBondContact O-N 3.36Å; Q17-G19 VanDerWaalsContact C-N 3.29Å; Q17-G19 PolarHBondContact O-N 2.93Å; Q17-S20 PolarHBondContact O-N 2.87Å; Q17-F21 WeakPolarHBondContact O-CB 3.29Å; Q17-F21 PolarHBondContact O-N 2.63Å
18Q53Low56.2Low59 Ų5977.5 Ų77.528%0.27639%0.394SS..Hα-helixtrans-54.8-45.3172.9-94.4-157.5-21.400111V14 D15 F21 A22 P70V14-Q18 WeakPolarHBondContact O-CB 3.45Å; V14-Q18 PolarHBondContact O-N 3.35Å; D15-Q18 PolarHBondContact O-N 3.11Å; Q18-F21 PolarHBondContact O-N 3.2Å; Q18-A22 WeakPolarHBondContact O-CA 3.37Å; Q18-A22 WeakPolarHBondContact O-CB 3.33Å; Q18-A22 PolarHBondContact O-N 3.18Å; Q18-P70 HydrophobicContact CG-CG 3.79Å
19G54.8Low56.6Low44 Ų4476.1 Ų76.145%0.45438%0.383SS..Hα-helixtrans-55.8-56177.700000112.6D15 R16 Q17 V23D15-G19 PolarHBondContact O-N 2.65Å; R16-G19 PolarHBondContact O-N 2.85Å; Q17-G19 VanDerWaalsContact C-N 3.29Å; Q17-G19 PolarHBondContact O-N 2.93Å; G19-V23 WeakPolarHBondContact O-CG2 3.36Å; G19-V23 PolarHBondContact O-N 3.13Å
20S57.9Low56.7Low84 Ų8473 Ų7359%0.58738%0.378SS*.Hα-helixtrans-65.4-41.9-179.9-570000113Q17 L24Q17-S20 PolarHBondContact O-N 2.87Å; S20-L24 PolarHBondContact O-N 2.68Å
21F59.7Low57.8Low4 Ų475.2 Ų75.22%0.01838%0.384CS..Hα-helixtrans-80.3-33.3-174.1-162.6-105.2000113.2Q17 Q18 V23 L24 L25 F64 M65 S68 L69Q17-F21 WeakPolarHBondContact O-CB 3.29Å; Q17-F21 PolarHBondContact O-N 2.63Å; Q18-F21 PolarHBondContact O-N 3.2Å; F21-V23 VanDerWaalsContact C-N 3.3Å; F21-V23 PolarHBondContact O-N 3.39Å; F21-L24 HydrophobicContact CD2-CD2 4.21Å; F21-L24 HydrophobicContact CE2-CD2 4.07Å; F21-L24 PolarHBondContact O-N 3.28Å; F21-L25 HydrophobicContact CD1-CD1 3.81Å; F21-L25 HydrophobicContact CD1-CG 4.03Å; F21-L25 HydrophobicContact CE1-CD1 3.67Å; F21-L25 HydrophobicContact CE1-CD2 4.18Å; F21-L25 HydrophobicContact CE1-CG 3.81Å; F21-L25 HydrophobicContact CZ-CD2 4.5Å; F21-L25 HydrophobicContact CZ-CG 4.44Å; F21-L25 WeakPolarHBondContact O-CG 3.29Å; F21-L25 PolarHBondContact O-N 2.93Å; F21-F64 HydrophobicContact CD2-CE1 4.28Å; F21-M65 HydrophobicContact CE2-CB 4.04Å; F21-M65 HydrophobicContact CE2-CG 3.7Å; F21-M65 HydrophobicContact CE2-SD 3.51Å; F21-M65 VanDerWaalsContact CE2-SD 3.51Å; F21-M65 HydrophobicContact CZ-CB 3.82Å; F21-M65 HydrophobicContact CZ-CG 3.93Å; F21-M65 HydrophobicContact CZ-SD 3.65Å; F21-S68 WeakPolarHBondContact CD1-OG 3.35Å; F21-S68 VanDerWaalsContact CD2-OG 3.24Å; F21-S68 WeakPolarHBondContact CD2-OG 3.41Å; F21-S68 WeakPolarHBondContact CE1-OG 3.45Å; F21-S68 VanDerWaalsContact CE2-OG 3.22Å; F21-S68 WeakPolarHBondContact CE2-OG 3.36Å; F21-S68 WeakPolarHBondContact CG-OG 3.4Å; F21-S68 WeakPolarHBondContact CZ-OG 3.35Å; F21-L69 HydrophobicContact CD1-CD1 4.22Å; F21-L69 HydrophobicContact CE1-CB 4.42Å
22A57Low58.1Low26 Ų2671.3 Ų71.322%0.21537%0.366CS..Hα-helixtrans-66-33.9171.300000111.5Q18 L25 D26Q18-A22 WeakPolarHBondContact O-CA 3.37Å; Q18-A22 WeakPolarHBondContact O-CB 3.33Å; Q18-A22 PolarHBondContact O-N 3.18Å; A22-L25 PolarHBondContact O-N 2.73Å; A22-D26 VanDerWaalsContact O-CB 3.31Å; A22-D26 WeakPolarHBondContact O-CB 3.44Å; A22-D26 PolarHBondContact O-N 3.46Å
23V63.3Low57.8Low103 Ų10370.1 Ų70.162%0.62436%0.357SS*.Hα-helixtrans-65.7-39.5171.1169.50000111.4G19 F21 D26 Y27G19-V23 WeakPolarHBondContact O-CG2 3.36Å; G19-V23 PolarHBondContact O-N 3.13Å; F21-V23 VanDerWaalsContact C-N 3.3Å; F21-V23 PolarHBondContact O-N 3.39Å; V23-D26 PolarHBondContact O-N 2.92Å; V23-Y27 WeakPolarHBondContact O-CB 3.46Å; V23-Y27 PolarHBondContact O-N 3.35Å
24L63.6Low57.8Low77 Ų7765.7 Ų65.740%0.40334%0.341SS..Hα-helixtrans-65.6-44173.7-177.364.3000112.2S20 F21 Y27 M28 M65S20-L24 PolarHBondContact O-N 2.68Å; F21-L24 HydrophobicContact CD2-CD2 4.21Å; F21-L24 HydrophobicContact CE2-CD2 4.07Å; F21-L24 PolarHBondContact O-N 3.28Å; L24-Y27 PolarHBondContact O-N 3.37Å; L24-M28 HydrophobicContact CG-CE 4.37Å; L24-M28 WeakPolarHBondContact O-CG 3.42Å; L24-M28 PolarHBondContact O-N 3.31Å; L24-M65 HydrophobicContact CD2-SD 4.23Å
25L61.9Low58.3Low1 Ų169 Ų691%0.00536%0.362CS..Hα-helixtrans-66.1-37175.6-74178.3000112.5F21 A22 M28 A29 L69 R88 T91F21-L25 HydrophobicContact CD1-CD1 3.81Å; F21-L25 HydrophobicContact CD1-CG 4.03Å; F21-L25 HydrophobicContact CE1-CD1 3.67Å; F21-L25 HydrophobicContact CE1-CD2 4.18Å; F21-L25 HydrophobicContact CE1-CG 3.81Å; F21-L25 HydrophobicContact CZ-CD2 4.5Å; F21-L25 HydrophobicContact CZ-CG 4.44Å; F21-L25 WeakPolarHBondContact O-CG 3.29Å; F21-L25 PolarHBondContact O-N 2.93Å; A22-L25 PolarHBondContact O-N 2.73Å; L25-M28 HydrophobicContact CD2-CE 3.86Å; L25-A29 WeakPolarHBondContact O-CB 3.23Å; L25-A29 PolarHBondContact O-N 2.8Å; L25-L69 HydrophobicContact CD1-CD1 3.81Å; L25-R88 HydrophobicContact CB-CG 4.23Å; L25-R88 HydrophobicContact CD1-CB 4.41Å; L25-T91 HydrophobicContact CD2-CG2 4.26Å
26D62.3Low58.6Low41 Ų4172.4 Ų72.422%0.21937%0.367CS..Hα-helixtrans-68.8-40.6172.7-91.1-11.1000111.5A22 V23 M28 A29 I30 R88A22-D26 VanDerWaalsContact O-CB 3.31Å; A22-D26 WeakPolarHBondContact O-CB 3.44Å; A22-D26 PolarHBondContact O-N 3.46Å; V23-D26 PolarHBondContact O-N 2.92Å; D26-M28 VanDerWaalsContact C-N 3.33Å; D26-M28 PolarHBondContact O-N 2.99Å; D26-A29 PolarHBondContact O-N 3.44Å; D26-I30 HydrophobicContact CB-CD1 4.17Å; D26-I30 WeakPolarHBondContact O-CB 3.34Å; D26-I30 WeakPolarHBondContact O-CD1 3.42Å; D26-I30 WeakPolarHBondContact O-CG1 3.5Å; D26-I30 PolarHBondContact O-N 3.38Å; D26-R88 IonicContact OD1-CZ 3.94Å; D26-R88 IonicContact OD1-NE 3.74Å; D26-R88 PolarHBondContact OD1-NE 3.27Å; D26-R88 IonicContact OD1-NH2 3.66Å; D26-R88 PolarHBondContact OD1-NH2 3.26Å; D26-R88 IonicContact OD2-CZ 2.76Å; D26-R88 IonicContact OD2-NE 3.66Å; D26-R88 IonicContact OD2-NH2 2.71Å; D26-R88 PolarHBondContact OD2-NH2 2.85Å
27Y63.6Low58.8Low141 Ų14171.1 Ų71.155%0.55336%0.362SS*.Hα-helixtrans-56.5-50.4173.2-174.9-86000110.1V23 L24 I30 K31V23-Y27 WeakPolarHBondContact O-CB 3.46Å; V23-Y27 PolarHBondContact O-N 3.35Å; L24-Y27 PolarHBondContact O-N 3.37Å; Y27-I30 PolarHBondContact O-N 2.92Å; Y27-K31 HydrophobicContact CD1-CG 4.39Å; Y27-K31 HydrophobicContact CD2-CG 4.47Å; Y27-K31 HydrophobicContact CE1-CB 4.34Å; Y27-K31 HydrophobicContact CE1-CG 3.99Å; Y27-K31 HydrophobicContact CE2-CG 4.11Å; Y27-K31 VanDerWaalsContact O-CB 3.24Å; Y27-K31 WeakPolarHBondContact O-CB 3.41Å; Y27-K31 PolarHBondContact O-N 3.36Å
28M60.7Low59.4Low22 Ų2277.9 Ų77.911%0.10839%0.386CS..Hα-helixtrans-62.5-45.4176.5-70.9-164.5-6400112.6L24 L25 D26 I30 M32 F43 T91 I95L24-M28 HydrophobicContact CG-CE 4.37Å; L24-M28 WeakPolarHBondContact O-CG 3.42Å; L24-M28 PolarHBondContact O-N 3.31Å; L25-M28 HydrophobicContact CD2-CE 3.86Å; D26-M28 VanDerWaalsContact C-N 3.33Å; D26-M28 PolarHBondContact O-N 2.99Å; M28-I30 PolarHBondContact O-N 3.27Å; M28-M32 HydrophobicContact CB-CE 3.87Å; M28-M32 HydrophobicContact CG-CE 4.4Å; M28-M32 VanDerWaalsContact O-CB 3.23Å; M28-M32 WeakPolarHBondContact O-CB 3.37Å; M28-M32 VanDerWaalsContact O-CG 3.3Å; M28-M32 WeakPolarHBondContact O-CG 3.45Å; M28-M32 PolarHBondContact O-N 2.97Å; M28-F43 HydrophobicContact CE-CE2 4.48Å; M28-F43 HydrophobicContact CE-CZ 4.49Å; M28-F43 HydrophobicContact SD-CD2 4.21Å; M28-F43 HydrophobicContact SD-CE2 3.51Å; M28-F43 VanDerWaalsContact SD-CE2 3.51Å; M28-F43 HydrophobicContact SD-CZ 4.07Å; M28-T91 HydrophobicContact CE-CG2 4.47Å; M28-I95 HydrophobicContact CE-CD1 4.43Å
29A59.4Low59.9Low20 Ų2076.5 Ų76.517%0.16539%0.385CS..Hα-helixtrans-65.6-37.1-179.700000113.4L25 D26 D33 I34L25-A29 WeakPolarHBondContact O-CB 3.23Å; L25-A29 PolarHBondContact O-N 2.8Å; D26-A29 PolarHBondContact O-N 3.44Å; A29-D33 PolarHBondContact O-N 3.47Å; A29-I34 HydrophobicContact CB-CD1 4.32Å
30I60Low60.2Low115 Ų11575.9 Ų75.959%0.5937%0.37SS*.Hα-helixtrans-81.2-48.1-179.1-64.6166.7000111.1D26 Y27 M28D26-I30 HydrophobicContact CB-CD1 4.17Å; D26-I30 WeakPolarHBondContact O-CB 3.34Å; D26-I30 WeakPolarHBondContact O-CD1 3.42Å; D26-I30 WeakPolarHBondContact O-CG1 3.5Å; D26-I30 PolarHBondContact O-N 3.38Å; Y27-I30 PolarHBondContact O-N 2.92Å; M28-I30 PolarHBondContact O-N 3.27Å
31K62.3Low60.4Low152 Ų15275.9 Ų75.966%0.66136%0.363SS*.Hα-helixtrans-71.9-35.5-177.6-86.2-81.7-173.2171.40113.5Y27Y27-K31 HydrophobicContact CD1-CG 4.39Å; Y27-K31 HydrophobicContact CD2-CG 4.47Å; Y27-K31 HydrophobicContact CE1-CB 4.34Å; Y27-K31 HydrophobicContact CE1-CG 3.99Å; Y27-K31 HydrophobicContact CE2-CG 4.11Å; Y27-K31 VanDerWaalsContact O-CB 3.24Å; Y27-K31 WeakPolarHBondContact O-CB 3.41Å; Y27-K31 PolarHBondContact O-N 3.36Å
32M56.6Low60.9Low46 Ų4680 Ų8023%0.22739%0.388CS..THydrogen-bonded Turntrans-91.8-8.7-177-51.1-171.1-4700112.9M28 I34 A39 F43M28-M32 HydrophobicContact CB-CE 3.87Å; M28-M32 HydrophobicContact CG-CE 4.4Å; M28-M32 VanDerWaalsContact O-CB 3.23Å; M28-M32 WeakPolarHBondContact O-CB 3.37Å; M28-M32 VanDerWaalsContact O-CG 3.3Å; M28-M32 WeakPolarHBondContact O-CG 3.45Å; M28-M32 PolarHBondContact O-N 2.97Å; M32-I34 HydrophobicContact CB-CG1 4.18Å; M32-I34 HydrophobicContact CE-CD1 3.67Å; M32-I34 HydrophobicContact CE-CG1 3.84Å; M32-A39 WeakPolarHBondContact O-CB 3.23Å; M32-F43 HydrophobicContact CE-CB 3.6Å; M32-F43 HydrophobicContact CE-CD1 4.26Å; M32-F43 HydrophobicContact CE-CD2 3.66Å; M32-F43 HydrophobicContact CE-CE2 4.45Å; M32-F43 HydrophobicContact CE-CG 3.55Å; M32-F43 HydrophobicContact SD-CB 3.81Å; M32-F43 HydrophobicContact SD-CD2 3.89Å; M32-F43 HydrophobicContact SD-CG 4.1Å
33D57.2Low61.3Low55 Ų5579.6 Ų79.629%0.29438%0.381SS..THydrogen-bonded Turntrans41.968.9-169.4-175.77000111A29 T35 R36A29-D33 PolarHBondContact O-N 3.47Å; D33-T35 PolarHBondContact O-N 3.15Å; D33-T35 WeakPolarHBondContact OD1-CB 3.44Å; D33-T35 PolarHBondContact OD1-OG1 3.42Å; D33-R36 HydrophobicContact CB-CG 4.45Å; D33-R36 WeakPolarHBondContact O-CB 3.49Å; D33-R36 PolarHBondContact O-N 2.9Å; D33-R36 WeakPolarHBondContact OD2-CD 3.33Å; D33-R36 WeakPolarHBondContact OD2-CG 3.28Å; D33-R36 IonicContact OD2-CZ 3.19Å; D33-R36 IonicContact OD2-NE 2.82Å; D33-R36 PolarHBondContact OD2-NE 2.96Å; D33-R36 IonicContact OD2-NH2 2.79Å
34I53.2Low61.5Low19 Ų1976 Ų7610%0.09736%0.359CS..THydrogen-bonded Turntrans-59.3-11.6-173.1-65.8-179.6000112.7A29 M32 R36 F40 T91A29-I34 HydrophobicContact CB-CD1 4.32Å; M32-I34 HydrophobicContact CB-CG1 4.18Å; M32-I34 HydrophobicContact CE-CD1 3.67Å; M32-I34 HydrophobicContact CE-CG1 3.84Å; I34-R36 PolarHBondContact O-N 3.3Å; I34-F40 HydrophobicContact CG2-CD2 3.71Å; I34-F40 HydrophobicContact CG2-CE2 4.27Å; I34-F40 HydrophobicContact CG2-CG 4.36Å; I34-T91 HydrophobicContact CD1-CG2 4.12Å; I34-T91 VanDerWaalsContact CD1-OG1 3.26Å; I34-T91 WeakPolarHBondContact CD1-OG1 3.19Å
35T53.9Low61.6Low105 Ų10576 Ų7664%0.64436%0.363SS*.THydrogen-bonded Turntrans-66-21169.279.60000113.1D33D33-T35 PolarHBondContact O-N 3.15Å; D33-T35 WeakPolarHBondContact OD1-CB 3.44Å; D33-T35 PolarHBondContact OD1-OG1 3.42Å
36R59.8Low62.1Low168 Ų16881 Ų8163%0.63439%0.389SS*.SBendtrans-90.6105.7172.5-60.4-179.4-170.5-139.5-3.8110.5D33 I34 R38 A39 F40D33-R36 HydrophobicContact CB-CG 4.45Å; D33-R36 WeakPolarHBondContact O-CB 3.49Å; D33-R36 PolarHBondContact O-N 2.9Å; D33-R36 WeakPolarHBondContact OD2-CD 3.33Å; D33-R36 WeakPolarHBondContact OD2-CG 3.28Å; D33-R36 IonicContact OD2-CZ 3.19Å; D33-R36 IonicContact OD2-NE 2.82Å; D33-R36 PolarHBondContact OD2-NE 2.96Å; D33-R36 IonicContact OD2-NH2 2.79Å; I34-R36 PolarHBondContact O-N 3.3Å; R36-R38 PolarHBondContact O-N 3.49Å; R36-A39 PolarHBondContact O-N 3.28Å; R36-F40 PolarHBondContact O-N 3.47Å
37W62.7Low62.5Low171 Ų17180.1 Ų80.165%0.64838%0.383SS*.Hα-helixtrans-47.2-36179.371-91.5000114.6F40 L41W37-F40 PolarHBondContact O-N 3.28Å; W37-L41 HydrophobicContact CE3-CD1 3.57Å; W37-L41 HydrophobicContact CE3-CG 4.24Å; W37-L41 HydrophobicContact CZ3-CD1 3.56Å; W37-L41 WeakPolarHBondContact O-CG 3.42Å; W37-L41 PolarHBondContact O-N 3.18Å
38R65.6Low62.7Low182 Ų18275.2 Ų75.269%0.68737%0.369SS*.Hα-helixtrans-60.5-46.3178.7-67.2-172.9177.4179.2-0.6112.8R36 L41 V42R36-R38 PolarHBondContact O-N 3.49Å; R38-L41 PolarHBondContact O-N 3.25Å; R38-V42 WeakPolarHBondContact O-CG2 3.46Å; R38-V42 PolarHBondContact O-N 2.99Å; R38-V42 VanDerWaalsContact O-N 3.11Å
39A62.5Low63.1Low30 Ų3078.7 Ų78.725%0.24839%0.387CS..Hα-helixtrans-73-34-179.500000111.4M32 R36 V42 F43M32-A39 WeakPolarHBondContact O-CB 3.23Å; R36-A39 PolarHBondContact O-N 3.28Å; A39-V42 PolarHBondContact O-N 3.19Å; A39-F43 PolarHBondContact O-N 3.24Å
40F61.1Low63.6Low32 Ų3281.2 Ų81.214%0.1440%0.4CS..Hα-helixtrans-62.2-40.1170.4-173.4-111.9000112.6I34 R36 W37 F43 V44 I90 V94I34-F40 HydrophobicContact CG2-CD2 3.71Å; I34-F40 HydrophobicContact CG2-CE2 4.27Å; I34-F40 HydrophobicContact CG2-CG 4.36Å; R36-F40 PolarHBondContact O-N 3.47Å; W37-F40 PolarHBondContact O-N 3.28Å; F40-F43 HydrophobicContact CD2-CD1 4.39Å; F40-F43 HydrophobicContact CE2-CD1 4.29Å; F40-F43 WeakPolarHBondContact O-CB 3.46Å; F40-F43 PolarHBondContact O-N 3.1Å; F40-V44 HydrophobicContact CD1-CG2 4.23Å; F40-V44 HydrophobicContact CE1-CG2 3.87Å; F40-V44 HydrophobicContact CE2-CG2 4.32Å; F40-V44 HydrophobicContact CZ-CG2 3.93Å; F40-V44 WeakPolarHBondContact O-CG2 3.23Å; F40-V44 PolarHBondContact O-N 2.96Å; F40-I90 HydrophobicContact CZ-CG2 4.19Å; F40-V94 HydrophobicContact CE1-CG2 4.37Å; F40-V94 HydrophobicContact CZ-CB 3.92Å; F40-V94 HydrophobicContact CZ-CG1 3.91Å; F40-V94 HydrophobicContact CZ-CG2 3.83Å
41L63.2Low63.9Low84 Ų8476.2 Ų76.244%0.4438%0.375SS..Hα-helixtrans-65.4-37.3173.1-75.3-174.4000113W37 R38 F43 V44 T45W37-L41 HydrophobicContact CE3-CD1 3.57Å; W37-L41 HydrophobicContact CE3-CG 4.24Å; W37-L41 HydrophobicContact CZ3-CD1 3.56Å; W37-L41 WeakPolarHBondContact O-CG 3.42Å; W37-L41 PolarHBondContact O-N 3.18Å; R38-L41 PolarHBondContact O-N 3.25Å; L41-F43 VanDerWaalsContact C-N 3.34Å; L41-V44 PolarHBondContact O-N 3.2Å; L41-T45 WeakPolarHBondContact O-CB 3.45Å; L41-T45 PolarHBondContact O-N 3.13Å; L41-T45 PolarHBondContact O-OG1 3.15Å
42V68.1Low64.1Low89 Ų8974 Ų7454%0.53937%0.374SS..Hα-helixtrans-61.5-45173.6171.80000110R38 A39 T45 L46R38-V42 WeakPolarHBondContact O-CG2 3.46Å; R38-V42 PolarHBondContact O-N 2.99Å; R38-V42 VanDerWaalsContact O-N 3.11Å; A39-V42 PolarHBondContact O-N 3.19Å; V42-T45 PolarHBondContact O-N 3.05Å; V42-L46 HydrophobicContact CG1-CD1 3.9Å; V42-L46 HydrophobicContact CG1-CG 4.44Å; V42-L46 WeakPolarHBondContact O-CB 3.36Å; V42-L46 VanDerWaalsContact O-CG 3.32Å; V42-L46 WeakPolarHBondContact O-CG 3.35Å; V42-L46 PolarHBondContact O-N 3.25Å
43F66.8Low64.6Low19 Ų1975.3 Ų75.38%0.08339%0.385CS..Hα-helixtrans-59.1-50173.1171-104.3000112.7M28 M32 A39 F40 L41 T45 L46 Y47 T91 I95M28-F43 HydrophobicContact CE-CE2 4.48Å; M28-F43 HydrophobicContact CE-CZ 4.49Å; M28-F43 HydrophobicContact SD-CD2 4.21Å; M28-F43 HydrophobicContact SD-CE2 3.51Å; M28-F43 VanDerWaalsContact SD-CE2 3.51Å; M28-F43 HydrophobicContact SD-CZ 4.07Å; M32-F43 HydrophobicContact CE-CB 3.6Å; M32-F43 HydrophobicContact CE-CD1 4.26Å; M32-F43 HydrophobicContact CE-CD2 3.66Å; M32-F43 HydrophobicContact CE-CE2 4.45Å; M32-F43 HydrophobicContact CE-CG 3.55Å; M32-F43 HydrophobicContact SD-CB 3.81Å; M32-F43 HydrophobicContact SD-CD2 3.89Å; M32-F43 HydrophobicContact SD-CG 4.1Å; A39-F43 PolarHBondContact O-N 3.24Å; F40-F43 HydrophobicContact CD2-CD1 4.39Å; F40-F43 HydrophobicContact CE2-CD1 4.29Å; F40-F43 WeakPolarHBondContact O-CB 3.46Å; F40-F43 PolarHBondContact O-N 3.1Å; L41-F43 VanDerWaalsContact C-N 3.34Å; F43-T45 VanDerWaalsContact C-N 3.28Å; F43-T45 PolarHBondContact O-N 3.21Å; F43-L46 PolarHBondContact O-N 3.03Å; F43-Y47 HydrophobicContact CZ-CG 4.44Å; F43-Y47 WeakPolarHBondContact O-CB 2.98Å; F43-Y47 PolarHBondContact O-N 2.68Å; F43-T91 HydrophobicContact CE1-CG2 3.99Å; F43-T91 HydrophobicContact CZ-CG2 4.32Å; F43-I95 HydrophobicContact CE1-CD1 4.49Å; F43-I95 HydrophobicContact CE1-CG1 4.2Å; F43-I95 HydrophobicContact CZ-CD1 4.04Å; F43-I95 HydrophobicContact CZ-CG1 3.96Å
44V67.6Low64.9Low26 Ų2682.8 Ų82.816%0.15841%0.409CS..Hα-helixtrans-59.8-39.3178.6165.80000111.6F40 L41 S48 V94 L98F40-V44 HydrophobicContact CD1-CG2 4.23Å; F40-V44 HydrophobicContact CE1-CG2 3.87Å; F40-V44 HydrophobicContact CE2-CG2 4.32Å; F40-V44 HydrophobicContact CZ-CG2 3.93Å; F40-V44 WeakPolarHBondContact O-CG2 3.23Å; F40-V44 PolarHBondContact O-N 2.96Å; L41-V44 PolarHBondContact O-N 3.2Å; V44-S48 VanDerWaalsContact O-CB 3.28Å; V44-S48 WeakPolarHBondContact O-CB 3.24Å; V44-S48 PolarHBondContact O-N 3.38Å; V44-S48 PolarHBondContact O-OG 2.97Å; V44-V94 HydrophobicContact CG2-CG1 3.71Å; V44-L98 HydrophobicContact CG1-CD1 4.15Å
45T66Low65.7Low79 Ų7984.5 Ų84.549%0.48542%0.421SS..Hα-helixtrans-65.7-50.2176.4-56.20000111.1L41 V42 F43 Y47 S48 I49L41-T45 WeakPolarHBondContact O-CB 3.45Å; L41-T45 PolarHBondContact O-N 3.13Å; L41-T45 PolarHBondContact O-OG1 3.15Å; V42-T45 PolarHBondContact O-N 3.05Å; F43-T45 VanDerWaalsContact C-N 3.28Å; F43-T45 PolarHBondContact O-N 3.21Å; T45-Y47 PolarHBondContact O-N 3.15Å; T45-S48 WeakPolarHBondContact O-CB 3.48Å; T45-S48 PolarHBondContact O-N 3.25Å; T45-I49 HydrophobicContact CG2-CD1 4.07Å; T45-I49 WeakPolarHBondContact O-CG1 3.36Å; T45-I49 PolarHBondContact O-N 3.45Å
46L71.8Confident66.2Low105 Ų10584.1 Ų84.155%0.5542%0.42SS..Hα-helixtrans-61.8-42.4178.1-71.6171.4000112V42 F43 I49 V50V42-L46 HydrophobicContact CG1-CD1 3.9Å; V42-L46 HydrophobicContact CG1-CG 4.44Å; V42-L46 WeakPolarHBondContact O-CB 3.36Å; V42-L46 VanDerWaalsContact O-CG 3.32Å; V42-L46 WeakPolarHBondContact O-CG 3.35Å; V42-L46 PolarHBondContact O-N 3.25Å; F43-L46 PolarHBondContact O-N 3.03Å; L46-I49 PolarHBondContact O-N 2.71Å; L46-V50 WeakPolarHBondContact O-CG2 3.46Å; L46-V50 PolarHBondContact O-N 3.04Å
47Y69.8Low66.5Low22 Ų2284.8 Ų84.89%0.08643%0.428CS..Hα-helixtrans-65.8-40.4177-163.3-112.6000111.5F43 T45 I49 V50 L51 G62 M65 I95 L98 T99F43-Y47 HydrophobicContact CZ-CG 4.44Å; F43-Y47 WeakPolarHBondContact O-CB 2.98Å; F43-Y47 PolarHBondContact O-N 2.68Å; T45-Y47 PolarHBondContact O-N 3.15Å; Y47-I49 VanDerWaalsContact C-N 3.35Å; Y47-I49 PolarHBondContact O-N 2.82Å; Y47-V50 PolarHBondContact O-N 2.92Å; Y47-L51 HydrophobicContact CD1-CD1 3.78Å; Y47-L51 HydrophobicContact CD1-CG 4.27Å; Y47-L51 HydrophobicContact CE1-CD1 3.69Å; Y47-L51 HydrophobicContact CE1-CD2 4.2Å; Y47-L51 HydrophobicContact CE1-CG 4.1Å; Y47-L51 WeakPolarHBondContact O-CG 3.46Å; Y47-L51 PolarHBondContact O-N 2.89Å; Y47-G62 WeakPolarHBondContact OH-CA 3.3Å; Y47-M65 HydrophobicContact CD2-CE 4.26Å; Y47-M65 HydrophobicContact CE2-CE 3.45Å; Y47-M65 VanDerWaalsContact CE2-CE 3.45Å; Y47-I95 HydrophobicContact CE1-CB 4.26Å; Y47-I95 HydrophobicContact CE1-CG1 4.18Å; Y47-I95 HydrophobicContact CE1-CG2 3.98Å; Y47-L98 HydrophobicContact CD1-CB 4.19Å; Y47-L98 HydrophobicContact CD1-CD1 3.88Å; Y47-L98 HydrophobicContact CE1-CB 4.36Å; Y47-T99 PolarHBondContact OH-OG1 3.27Å
48S68Low66.5Low38 Ų3877 Ų7727%0.26640%0.399SS..Hα-helixtrans-60.7-42.8173.2-58.80000111.8V44 T45 V50 L51 T52V44-S48 VanDerWaalsContact O-CB 3.28Å; V44-S48 WeakPolarHBondContact O-CB 3.24Å; V44-S48 PolarHBondContact O-N 3.38Å; V44-S48 PolarHBondContact O-OG 2.97Å; T45-S48 WeakPolarHBondContact O-CB 3.48Å; T45-S48 PolarHBondContact O-N 3.25Å; S48-V50 PolarHBondContact O-N 2.67Å; S48-L51 PolarHBondContact O-N 3.37Å; S48-T52 WeakPolarHBondContact O-CG2 3.46Å; S48-T52 PolarHBondContact O-N 2.99Å; S48-T52 PolarHBondContact O-OG1 2.82Å
49I69.1Low66.2Low95 Ų9573.3 Ų73.349%0.48739%0.386SS..Hα-helixtrans-59.1-47.8174.7-69.3163.3000110.5T45 L46 Y47 L51 T52 T53T45-I49 HydrophobicContact CG2-CD1 4.07Å; T45-I49 WeakPolarHBondContact O-CG1 3.36Å; T45-I49 PolarHBondContact O-N 3.45Å; L46-I49 PolarHBondContact O-N 2.71Å; Y47-I49 VanDerWaalsContact C-N 3.35Å; Y47-I49 PolarHBondContact O-N 2.82Å; I49-L51 PolarHBondContact O-N 3.28Å; I49-T52 WeakPolarHBondContact CA-OG1 3.28Å; I49-T52 PolarHBondContact O-N 2.8Å; I49-T52 VanDerWaalsContact O-N 3.15Å; I49-T52 PolarHBondContact O-OG1 2.84Å; I49-T53 PolarHBondContact O-N 2.9Å
50V70.3Confident66.2Low73 Ų7379.3 Ų79.344%0.44241%0.407SS..Hα-helixtrans-57.9-46176.7171.30000111.7L46 Y47 S48 T52 T53 A58L46-V50 WeakPolarHBondContact O-CG2 3.46Å; L46-V50 PolarHBondContact O-N 3.04Å; Y47-V50 PolarHBondContact O-N 2.92Å; S48-V50 PolarHBondContact O-N 2.67Å; V50-T52 PolarHBondContact O-N 2.88Å; V50-T53 WeakPolarHBondContact O-CB 3.45Å; V50-T53 WeakPolarHBondContact O-CG2 3.37Å; V50-T53 PolarHBondContact O-N 2.86Å; V50-T53 PolarHBondContact O-OG1 2.83Å; V50-A58 HydrophobicContact CG1-CB 4.12Å; V50-A58 WeakPolarHBondContact O-CB 3.22Å
51L66.2Low66.4Low10 Ų1079.3 Ų79.35%0.05242%0.416CS..Hα-helixtrans-63.3-39.1176.5-64.3170.9000111.9Y47 S48 I49 T53 R54 L98 Q102Y47-L51 HydrophobicContact CD1-CD1 3.78Å; Y47-L51 HydrophobicContact CD1-CG 4.27Å; Y47-L51 HydrophobicContact CE1-CD1 3.69Å; Y47-L51 HydrophobicContact CE1-CD2 4.2Å; Y47-L51 HydrophobicContact CE1-CG 4.1Å; Y47-L51 WeakPolarHBondContact O-CG 3.46Å; Y47-L51 PolarHBondContact O-N 2.89Å; S48-L51 PolarHBondContact O-N 3.37Å; I49-L51 PolarHBondContact O-N 3.28Å; L51-T53 PolarHBondContact O-N 2.92Å; L51-R54 PolarHBondContact O-N 2.98Å; L51-L98 HydrophobicContact CD1-CB 3.63Å; L51-Q102 PolarHBondContact O-NE2 3.01Å; L51-Q102 VanDerWaalsContact O-NE2 3.1Å
52T66.4Low66.5Low106 Ų10675.4 Ų75.465%0.6540%0.396SS*.Hα-helixtrans-65.4-17.2177.756.80000114.4S48 I49 V50 R54S48-T52 WeakPolarHBondContact O-CG2 3.46Å; S48-T52 PolarHBondContact O-N 2.99Å; S48-T52 PolarHBondContact O-OG1 2.82Å; I49-T52 WeakPolarHBondContact CA-OG1 3.28Å; I49-T52 PolarHBondContact O-N 2.8Å; I49-T52 VanDerWaalsContact O-N 3.15Å; I49-T52 PolarHBondContact O-OG1 2.84Å; V50-T52 PolarHBondContact O-N 2.88Å; T52-R54 PolarHBondContact O-N 2.74Å; T52-R54 VanDerWaalsContact O-N 3.12Å
53T66.9Low66.3Low74 Ų7474 Ų7445%0.45438%0.384SS..THydrogen-bonded Turntrans-60.8-20.3173.569.10000113.5I49 V50 L51 T55I49-T53 PolarHBondContact O-N 2.9Å; V50-T53 WeakPolarHBondContact O-CB 3.45Å; V50-T53 WeakPolarHBondContact O-CG2 3.37Å; V50-T53 PolarHBondContact O-N 2.86Å; V50-T53 PolarHBondContact O-OG1 2.83Å; L51-T53 PolarHBondContact O-N 2.92Å; T53-T55 PolarHBondContact O-N 2.87Å; T53-T55 PolarHBondContact OG1-N 3.46Å; T53-T55 PolarHBondContact OG1-OG1 3.26Å
54R64.6Low66.1Low211 Ų21177.5 Ų77.580%0.79640%0.399SS*.  trans53.616-174.1-63.9-178.3173.2-174.3-2.5114.7L51 T52L51-R54 PolarHBondContact O-N 2.98Å; T52-R54 PolarHBondContact O-N 2.74Å; T52-R54 VanDerWaalsContact O-N 3.12Å
55T69.3Low65.8Low56 Ų5677.3 Ų77.334%0.34440%0.397SS..  trans-66.9148179.155.20000111.1T53 F57 A58 Y59T53-T55 PolarHBondContact O-N 2.87Å; T53-T55 PolarHBondContact OG1-N 3.46Å; T53-T55 PolarHBondContact OG1-OG1 3.26Å; T55-F57 PolarHBondContact O-N 3.16Å; T55-A58 PolarHBondContact O-N 3.19Å; T55-A58 VanDerWaalsContact OG1-CB 3.29Å; T55-A58 WeakPolarHBondContact OG1-CB 3.39Å; T55-A58 PolarHBondContact OG1-N 3.13Å; T55-A58 VanDerWaalsContact OG1-N 3.15Å; T55-Y59 PolarHBondContact O-N 3.3Å; T55-Y59 VanDerWaalsContact O-N 3.13Å
56P64.1Low65.8Low97 Ų9774.7 Ų74.763%0.6338%0.379SS*.Hα-helixtrans-55.8-34.4172.4-26.435.3000112.4Y59 F60P56-Y59 PolarHBondContact O-N 3.39Å; P56-F60 WeakPolarHBondContact O-CB 3.1Å; P56-F60 PolarHBondContact O-N 3.1Å
57F66.3Low65.1Low181 Ų18173.7 Ų73.779%0.79438%0.378SS*.Hα-helixtrans-64-41174.3-70-75.5000113.3T55 G61T55-F57 PolarHBondContact O-N 3.16Å; F57-G61 PolarHBondContact O-N 3.3Å
58A62.5Low64.5Low7 Ų772.8 Ų72.86%0.05838%0.375CS..Hα-helixtrans-64.3-40.6173.900000111.6V50 T55 G62V50-A58 HydrophobicContact CG1-CB 4.12Å; V50-A58 WeakPolarHBondContact O-CB 3.22Å; T55-A58 PolarHBondContact O-N 3.19Å; T55-A58 VanDerWaalsContact OG1-CB 3.29Å; T55-A58 WeakPolarHBondContact OG1-CB 3.39Å; T55-A58 PolarHBondContact OG1-N 3.13Å; T55-A58 VanDerWaalsContact OG1-N 3.15Å; A58-G62 PolarHBondContact O-N 3.21Å
59Y60.4Low64Low105 Ų10572 Ų7241%0.41237%0.367SS..Hα-helixtrans-65.6-47.8176.6-172.7-91.9000112.4T55 P56 G62 Q63 V103T55-Y59 PolarHBondContact O-N 3.3Å; T55-Y59 VanDerWaalsContact O-N 3.13Å; P56-Y59 PolarHBondContact O-N 3.39Å; Y59-G62 PolarHBondContact O-N 3.13Å; Y59-Q63 HydrophobicContact CD1-CG 4.25Å; Y59-Q63 HydrophobicContact CE1-CG 3.78Å; Y59-Q63 PolarHBondContact O-N 3.05Å; Y59-Q63 PolarHBondContact OH-NE2 3.5Å; Y59-V103 HydrophobicContact CE2-CG2 4.1Å
60F62.6Low63.2Low157 Ų15768.7 Ų68.769%0.68935%0.352SS*.Hα-helixtrans-62.5-44.6175.7-99.7-83.3000112P56 G62 Q63 F64P56-F60 WeakPolarHBondContact O-CB 3.1Å; P56-F60 PolarHBondContact O-N 3.1Å; F60-G62 VanDerWaalsContact C-N 3.35Å; F60-G62 PolarHBondContact O-N 3.24Å; F60-Q63 PolarHBondContact O-N 3.46Å; F60-F64 WeakPolarHBondContact O-CB 3.35Å; F60-F64 PolarHBondContact O-N 2.85Å
61G65.2Low62.3Low32 Ų3272 Ų7233%0.3337%0.367SS..Hα-helixtrans-61.3-42.1175.900000112.2F57 M65F57-G61 PolarHBondContact O-N 3.3Å; G61-M65 WeakPolarHBondContact O-CB 3.5Å; G61-M65 WeakPolarHBondContact O-CG 3.36Å; G61-M65 PolarHBondContact O-N 3.21Å
62G65.6Low61.3Low1 Ų174.8 Ų74.81%0.0139%0.387CS..Hα-helixtrans-61.7-50.6174.500000113.1Y47 A58 Y59 F60 M65 I66Y47-G62 WeakPolarHBondContact OH-CA 3.3Å; A58-G62 PolarHBondContact O-N 3.21Å; Y59-G62 PolarHBondContact O-N 3.13Å; F60-G62 VanDerWaalsContact C-N 3.35Å; F60-G62 PolarHBondContact O-N 3.24Å; G62-M65 PolarHBondContact O-N 3.19Å; G62-I66 WeakPolarHBondContact O-CG1 3.25Å; G62-I66 PolarHBondContact O-N 3.49Å
63Q63.3Low60.7Low61 Ų6171.1 Ų71.129%0.28537%0.365SS..Hα-helixtrans-65-38.7177.8-73.3-69.31.600112.3Y59 F60 I66 T67Y59-Q63 HydrophobicContact CD1-CG 4.25Å; Y59-Q63 HydrophobicContact CE1-CG 3.78Å; Y59-Q63 PolarHBondContact O-N 3.05Å; Y59-Q63 PolarHBondContact OH-NE2 3.5Å; F60-Q63 PolarHBondContact O-N 3.46Å; Q63-I66 PolarHBondContact O-N 3.07Å; Q63-T67 WeakPolarHBondContact O-CB 3.33Å; Q63-T67 WeakPolarHBondContact O-CG2 3.5Å; Q63-T67 PolarHBondContact O-N 2.89Å; Q63-T67 PolarHBondContact O-OG1 3.48Å
64F63Low60.1Low91 Ų9169 Ų6940%0.39935%0.352SS..Hα-helixtrans-60.1-46.8173-176.1-100.8000111.1F21 F60 I66 T67 S68F21-F64 HydrophobicContact CD2-CE1 4.28Å; F60-F64 WeakPolarHBondContact O-CB 3.35Å; F60-F64 PolarHBondContact O-N 2.85Å; F64-I66 VanDerWaalsContact C-N 3.3Å; F64-I66 PolarHBondContact O-N 3.4Å; F64-T67 PolarHBondContact O-N 2.88Å; F64-T67 PolarHBondContact O-OG1 3.36Å; F64-S68 WeakPolarHBondContact O-CB 3.45Å; F64-S68 PolarHBondContact O-N 3.34Å; F64-S68 PolarHBondContact O-OG 2.87Å
65M61.3Low59.4Low22 Ų2261.5 Ų61.511%0.10833%0.33CS..Hα-helixtrans-68.9-21.3178.1-63.8-124.7-80.100114.7F21 L24 Y47 G61 G62 Y92 I95F21-M65 HydrophobicContact CE2-CB 4.04Å; F21-M65 HydrophobicContact CE2-CG 3.7Å; F21-M65 HydrophobicContact CE2-SD 3.51Å; F21-M65 VanDerWaalsContact CE2-SD 3.51Å; F21-M65 HydrophobicContact CZ-CB 3.82Å; F21-M65 HydrophobicContact CZ-CG 3.93Å; F21-M65 HydrophobicContact CZ-SD 3.65Å; L24-M65 HydrophobicContact CD2-SD 4.23Å; Y47-M65 HydrophobicContact CD2-CE 4.26Å; Y47-M65 HydrophobicContact CE2-CE 3.45Å; Y47-M65 VanDerWaalsContact CE2-CE 3.45Å; G61-M65 WeakPolarHBondContact O-CB 3.5Å; G61-M65 WeakPolarHBondContact O-CG 3.36Å; G61-M65 PolarHBondContact O-N 3.21Å; G62-M65 PolarHBondContact O-N 3.19Å; M65-Y92 WeakPolarHBondContact O-CE2 3.46Å; M65-I95 HydrophobicContact CB-CG2 3.7Å; M65-I95 HydrophobicContact CE-CD1 3.63Å; M65-I95 HydrophobicContact CE-CG1 4.02Å; M65-I95 HydrophobicContact CE-CG2 4.1Å; M65-I95 HydrophobicContact SD-CD1 4.26Å
66I64.6Low58.7Low24 Ų2461.5 Ų61.512%0.12333%0.328CS..Hα-helixtrans-77.1-44.3168.9-70.6174.7000110.7G62 Q63 F64 Y92 H96 T99G62-I66 WeakPolarHBondContact O-CG1 3.25Å; G62-I66 PolarHBondContact O-N 3.49Å; Q63-I66 PolarHBondContact O-N 3.07Å; F64-I66 VanDerWaalsContact C-N 3.3Å; F64-I66 PolarHBondContact O-N 3.4Å; I66-Y92 WeakPolarHBondContact O-CE2 3.15Å; I66-Y92 PolarHBondContact O-OH 3.41Å; I66-H96 HydrophobicContact CG1-CB 4.19Å; I66-T99 HydrophobicContact CD1-CG2 3.67Å
67T57.7Low58.3Low85 Ų8558 Ų5852%0.52131%0.305SS..Hα-helixtrans-83.7-17.7-171.250.90000114.4Q63 F64Q63-T67 WeakPolarHBondContact O-CB 3.33Å; Q63-T67 WeakPolarHBondContact O-CG2 3.5Å; Q63-T67 PolarHBondContact O-N 2.89Å; Q63-T67 PolarHBondContact O-OG1 3.48Å; F64-T67 PolarHBondContact O-N 2.88Å; F64-T67 PolarHBondContact O-OG1 3.36Å
68S57.6Low57.6Low3 Ų352.2 Ų52.22%0.02128%0.282CS..THydrogen-bonded Turntrans-78.2-17.5-176.1590000115.5F21 F64F21-S68 WeakPolarHBondContact CD1-OG 3.35Å; F21-S68 VanDerWaalsContact CD2-OG 3.24Å; F21-S68 WeakPolarHBondContact CD2-OG 3.41Å; F21-S68 WeakPolarHBondContact CE1-OG 3.45Å; F21-S68 VanDerWaalsContact CE2-OG 3.22Å; F21-S68 WeakPolarHBondContact CE2-OG 3.36Å; F21-S68 WeakPolarHBondContact CG-OG 3.4Å; F21-S68 WeakPolarHBondContact CZ-OG 3.35Å; F64-S68 WeakPolarHBondContact O-CB 3.45Å; F64-S68 PolarHBondContact O-N 3.34Å; F64-S68 PolarHBondContact O-OG 2.87Å
69L56.6Low57.2Low20 Ų2056.5 Ų56.511%0.10530%0.299CS..SBendtrans-104.5112.3178.5-157.478.4000111.1F21 L25 C73 Y92F21-L69 HydrophobicContact CD1-CD1 4.22Å; F21-L69 HydrophobicContact CE1-CB 4.42Å; L25-L69 HydrophobicContact CD1-CD1 3.81Å; L69-C73 HydrophobicContact CD2-CB 4.09Å; L69-C73 HydrophobicContact CG-CB 4.21Å; L69-Y92 HydrophobicContact CB-CD2 3.54Å; L69-Y92 HydrophobicContact CB-CE2 3.56Å; L69-Y92 HydrophobicContact CB-CG 4.15Å; L69-Y92 HydrophobicContact CD2-CD1 3.9Å; L69-Y92 HydrophobicContact CD2-CD2 3.79Å; L69-Y92 HydrophobicContact CD2-CE2 4.42Å; L69-Y92 HydrophobicContact CD2-CG 3.49Å; L69-Y92 VanDerWaalsContact CD2-CG 3.49Å; L69-Y92 HydrophobicContact CG-CD2 4.29Å; L69-Y92 HydrophobicContact CG-CG 4.45Å
70P53.4Low57Low26 Ų2656.1 Ų56.117%0.16930%0.3CS..  trans-71.3151.6179.429.2-35.2000112.3V14 Q18 S72 C73V14-P70 HydrophobicContact CG1-CB 3.78Å; V14-P70 HydrophobicContact CG1-CG 3.75Å; Q18-P70 HydrophobicContact CG-CG 3.79Å; P70-S72 WeakPolarHBondContact CG-OG 3.39Å; P70-S72 PolarHBondContact O-N 2.94Å; P70-C73 PolarHBondContact O-N 2.91Å
71L50Low56.6Low144 Ų14460.9 Ų60.975%0.75431%0.313SS*.THydrogen-bonded Turntrans-53.6-24.1176.6-81.3156.8000113.8C73 T74L71-C73 PolarHBondContact O-N 2.84Å; L71-T74 VanDerWaalsContact O-CB 3.23Å; L71-T74 WeakPolarHBondContact O-CB 3.49Å; L71-T74 PolarHBondContact O-N 2.87Å; L71-T74 PolarHBondContact O-OG1 3.23Å
72S46.6Very low56.7Low67 Ų6764.7 Ų64.747%0.46932%0.322SS..Hα-helixtrans-58.7-25174.852.90000114P70 T74 T75P70-S72 WeakPolarHBondContact CG-OG 3.39Å; P70-S72 PolarHBondContact O-N 2.94Å; S72-T74 PolarHBondContact O-N 3.18Å; S72-T75 PolarHBondContact O-OG1 2.82Å
73C53.8Low56.7Low29 Ų2974.9 Ų74.920%0.19636%0.36CS..Hα-helixtrans-69.7-17.1171.2-660000113.1L69 P70 L71 V77L69-C73 HydrophobicContact CD2-CB 4.09Å; L69-C73 HydrophobicContact CG-CB 4.21Å; P70-C73 PolarHBondContact O-N 2.91Å; L71-C73 PolarHBondContact O-N 2.84Å; C73-V77 WeakPolarHBondContact O-CG2 3.26Å; C73-V77 PolarHBondContact O-N 3.43Å
74T53.4Low56.8Low29 Ų2978.4 Ų78.418%0.17838%0.375CS..Hα-helixtrans-79.6-41.3-179.3-57.70000112.5L71 S72 D76 V77 L78 W89L71-T74 VanDerWaalsContact O-CB 3.23Å; L71-T74 WeakPolarHBondContact O-CB 3.49Å; L71-T74 PolarHBondContact O-N 2.87Å; L71-T74 PolarHBondContact O-OG1 3.23Å; S72-T74 PolarHBondContact O-N 3.18Å; T74-D76 VanDerWaalsContact C-N 3.3Å; T74-D76 PolarHBondContact O-N 2.8Å; T74-V77 PolarHBondContact O-N 3.01Å; T74-L78 HydrophobicContact CG2-CD1 4.05Å; T74-L78 WeakPolarHBondContact O-CG 3.31Å; T74-L78 PolarHBondContact O-N 3.08Å; T74-W89 HydrophobicContact CG2-CZ2 3.81Å; T74-W89 PolarHBondContact OG1-NE1 2.93Å
75T50.2Low57Low55 Ų5575.2 Ų75.234%0.33736%0.362SS..Hα-helixtrans-62.6-41.6173.146.60000110.6S72 V77 L78 F79S72-T75 PolarHBondContact O-OG1 2.82Å; T75-V77 VanDerWaalsContact C-N 3.28Å; T75-V77 PolarHBondContact O-N 2.83Å; T75-L78 PolarHBondContact O-N 2.8Å; T75-F79 WeakPolarHBondContact O-CD2 3.17Å; T75-F79 PolarHBondContact O-N 3.44Å
76D54.6Low57Low56 Ų5678 Ų7830%0.29937%0.373SS..Hα-helixtrans-59.4-35.5175.4-108.418.9000113.1T74 K80T74-D76 VanDerWaalsContact C-N 3.3Å; T74-D76 PolarHBondContact O-N 2.8Å; D76-K80 HydrophobicContact CB-CD 4.46Å; D76-K80 WeakPolarHBondContact O-CA 3.44Å; D76-K80 WeakPolarHBondContact O-CB 3.49Å; D76-K80 PolarHBondContact O-N 3.38Å; D76-K80 WeakPolarHBondContact OD1-CE 3.42Å; D76-K80 IonicContact OD1-NZ 2.72Å; D76-K80 PolarHBondContact OD1-NZ 3.34Å; D76-K80 IonicContact OD2-NZ 3.96Å; D76-K80 PolarHBondContact OD2-NZ 3.16Å
77V55.9Low57Low24 Ų2477.6 Ų77.615%0.14537%0.373CS..Hα-helixtrans-77.2-33.4176.7170.70000113.5C73 T74 T75 F79 I85 K86 W89C73-V77 WeakPolarHBondContact O-CG2 3.26Å; C73-V77 PolarHBondContact O-N 3.43Å; T74-V77 PolarHBondContact O-N 3.01Å; T75-V77 VanDerWaalsContact C-N 3.28Å; T75-V77 PolarHBondContact O-N 2.83Å; V77-F79 VanDerWaalsContact C-N 3.34Å; V77-I85 HydrophobicContact CG2-CB 4.06Å; V77-I85 HydrophobicContact CG2-CG2 3.4Å; V77-I85 VanDerWaalsContact CG2-CG2 3.4Å; V77-I85 WeakPolarHBondContact CG2-O 3.15Å; V77-K86 HydrophobicContact CG1-CB 4.44Å; V77-W89 HydrophobicContact CB-CB 4.36Å; V77-W89 HydrophobicContact CB-CD2 4.37Å; V77-W89 HydrophobicContact CB-CG 4.09Å; V77-W89 HydrophobicContact CG1-CB 4.27Å; V77-W89 HydrophobicContact CG1-CD2 3.96Å; V77-W89 HydrophobicContact CG1-CE3 4.16Å; V77-W89 HydrophobicContact CG1-CG 4.05Å; V77-W89 HydrophobicContact CG2-CB 3.59Å; V77-W89 HydrophobicContact CG2-CG 3.78Å
78L52Low57.3Low58 Ų5876.9 Ų76.930%0.30436%0.361SS..Hα-helixtrans-70.8-31.5175.9-70.2167.1000111.9T74 T75 L131T74-L78 HydrophobicContact CG2-CD1 4.05Å; T74-L78 WeakPolarHBondContact O-CG 3.31Å; T74-L78 PolarHBondContact O-N 3.08Å; T75-L78 PolarHBondContact O-N 2.8Å; L78-L131 HydrophobicContact CD2-CD1 4.37Å; L78-L131 HydrophobicContact CD2-CD2 4.31Å
79F52.9Low57.7Low97 Ų9777.3 Ų77.343%0.42536%0.362SS..Hα-helixtrans-107.8-25.8-174.5-60.3-55.8000115.5T75 V77T75-F79 WeakPolarHBondContact O-CD2 3.17Å; T75-F79 PolarHBondContact O-N 3.44Å; V77-F79 VanDerWaalsContact C-N 3.34Å
80K56.2Low58.2Low97 Ų9778.7 Ų78.742%0.42237%0.369SS..  trans-105.5115.4176.3-57.5170.6-179.11610110.6D76 E82 I85D76-K80 HydrophobicContact CB-CD 4.46Å; D76-K80 WeakPolarHBondContact O-CA 3.44Å; D76-K80 WeakPolarHBondContact O-CB 3.49Å; D76-K80 PolarHBondContact O-N 3.38Å; D76-K80 WeakPolarHBondContact OD1-CE 3.42Å; D76-K80 IonicContact OD1-NZ 2.72Å; D76-K80 PolarHBondContact OD1-NZ 3.34Å; D76-K80 IonicContact OD2-NZ 3.96Å; D76-K80 PolarHBondContact OD2-NZ 3.16Å; K80-E82 PolarHBondContact O-N 2.63Å; K80-I85 HydrophobicContact CB-CD1 4.39Å; K80-I85 HydrophobicContact CD-CD1 4.26Å
81R55.4Low58.8Low257 Ų25777.5 Ų77.597%0.9736%0.362SS*.  trans-6820.8178.9-78.4-174.3169.9-172.9-2.9115.3R83R81-R83 PolarHBondContact O-N 3.23Å
82E67.3Low59.6Low112 Ų11271.8 Ų71.852%0.52333%0.33SS..  trans-73.1119-179.1-77.5-168.9-146.100112.2K80 K84 I85 K86K80-E82 PolarHBondContact O-N 2.63Å; E82-K84 PolarHBondContact O-N 2.84Å; E82-K84 VanDerWaalsContact O-N 3.15Å; E82-I85 HydrophobicContact CB-CB 4.44Å; E82-I85 HydrophobicContact CB-CD1 3.87Å; E82-I85 HydrophobicContact CB-CG1 3.76Å; E82-I85 HydrophobicContact CG-CD1 4.36Å; E82-I85 PolarHBondContact O-N 2.91Å; E82-I85 VanDerWaalsContact O-N 3.13Å; E82-K86 PolarHBondContact O-N 2.82Å; E82-K86 VanDerWaalsContact O-N 3.1Å
83R65.4Low60.7Low215 Ų21571 Ų7181%0.81132%0.317SS*.Hα-helixtrans-53.7-37179.3-68.1-173.1-179.2-172.91.1113R81 A87R81-R83 PolarHBondContact O-N 3.23Å; R83-A87 WeakPolarHBondContact O-CB 3.4Å; R83-A87 PolarHBondContact O-N 2.85Å
84K65.6Low61.3Low135 Ų13571.4 Ų71.459%0.58732%0.318SS*.Hα-helixtrans-63.4-48.2178.6-72-172.1176-174.80112E82 A87 R88E82-K84 PolarHBondContact O-N 2.84Å; E82-K84 VanDerWaalsContact O-N 3.15Å; K84-A87 PolarHBondContact O-N 2.82Å; K84-R88 PolarHBondContact O-N 3.38Å
85I65.6Low61.9Low25 Ų2570 Ų7013%0.12831%0.31CS..Hα-helixtrans-67.1-43.5-178.6-41178.9000109.8V77 K80 E82 A87 R88 W89V77-I85 HydrophobicContact CG2-CB 4.06Å; V77-I85 HydrophobicContact CG2-CG2 3.4Å; V77-I85 VanDerWaalsContact CG2-CG2 3.4Å; V77-I85 WeakPolarHBondContact CG2-O 3.15Å; K80-I85 HydrophobicContact CB-CD1 4.39Å; K80-I85 HydrophobicContact CD-CD1 4.26Å; E82-I85 HydrophobicContact CB-CB 4.44Å; E82-I85 HydrophobicContact CB-CD1 3.87Å; E82-I85 HydrophobicContact CB-CG1 3.76Å; E82-I85 HydrophobicContact CG-CD1 4.36Å; E82-I85 PolarHBondContact O-N 2.91Å; E82-I85 VanDerWaalsContact O-N 3.13Å; I85-A87 VanDerWaalsContact C-N 3.31Å; I85-A87 PolarHBondContact O-N 3.32Å; I85-R88 PolarHBondContact O-N 2.81Å; I85-W89 WeakPolarHBondContact O-CB 3.3Å; I85-W89 PolarHBondContact O-N 3.02Å
86K62.9Low62.7Low80 Ų8069.5 Ų69.535%0.34830%0.303SS..Hα-helixtrans-57-41.7173-173.7171.4179.6176.20111.9V77 E82 W89 I90V77-K86 HydrophobicContact CG1-CB 4.44Å; E82-K86 PolarHBondContact O-N 2.82Å; E82-K86 VanDerWaalsContact O-N 3.1Å; K86-W89 PolarHBondContact O-N 3.47Å; K86-I90 HydrophobicContact CG-CD1 3.86Å; K86-I90 HydrophobicContact CG-CG1 4.48Å; K86-I90 VanDerWaalsContact O-CG1 3.29Å; K86-I90 WeakPolarHBondContact O-CG1 3.44Å; K86-I90 PolarHBondContact O-N 3.4Å
87A64.1Low63.2Low15 Ų1567.8 Ų67.812%0.12430%0.296CS..Hα-helixtrans-66.9-45.6177.400000113.3R83 K84 I85 W89 I90 T91R83-A87 WeakPolarHBondContact O-CB 3.4Å; R83-A87 PolarHBondContact O-N 2.85Å; K84-A87 PolarHBondContact O-N 2.82Å; I85-A87 VanDerWaalsContact C-N 3.31Å; I85-A87 PolarHBondContact O-N 3.32Å; A87-W89 VanDerWaalsContact C-N 3.27Å; A87-W89 PolarHBondContact O-N 2.95Å; A87-I90 PolarHBondContact O-N 3.33Å; A87-T91 WeakPolarHBondContact O-CB 3.44Å; A87-T91 PolarHBondContact O-N 3.45Å; A87-T91 PolarHBondContact O-OG1 2.99Å
88R63.6Low63.7Low70 Ų7068.2 Ų68.226%0.26430%0.297SS..Hα-helixtrans-55.8-43.6174.4-70.4-171.9-167.4159.8-0.2111.3L25 D26 K84 I85 T91 Y92L25-R88 HydrophobicContact CB-CG 4.23Å; L25-R88 HydrophobicContact CD1-CB 4.41Å; D26-R88 IonicContact OD1-CZ 3.94Å; D26-R88 IonicContact OD1-NE 3.74Å; D26-R88 PolarHBondContact OD1-NE 3.27Å; D26-R88 IonicContact OD1-NH2 3.66Å; D26-R88 PolarHBondContact OD1-NH2 3.26Å; D26-R88 IonicContact OD2-CZ 2.76Å; D26-R88 IonicContact OD2-NE 3.66Å; D26-R88 IonicContact OD2-NH2 2.71Å; D26-R88 PolarHBondContact OD2-NH2 2.85Å; K84-R88 PolarHBondContact O-N 3.38Å; I85-R88 PolarHBondContact O-N 2.81Å; R88-T91 WeakPolarHBondContact O-CB 3.43Å; R88-T91 PolarHBondContact O-N 3.48Å; R88-Y92 PolarHBondContact O-N 3.4Å
89W67.2Low64.4Low13 Ų1365.4 Ų65.45%0.04928%0.283CS..Hα-helixtrans-73.2-40.2-176.5-173.893.8000113.6T74 V77 I85 K86 A87 T91 Y92 W93 F124T74-W89 HydrophobicContact CG2-CZ2 3.81Å; T74-W89 PolarHBondContact OG1-NE1 2.93Å; V77-W89 HydrophobicContact CB-CB 4.36Å; V77-W89 HydrophobicContact CB-CD2 4.37Å; V77-W89 HydrophobicContact CB-CG 4.09Å; V77-W89 HydrophobicContact CG1-CB 4.27Å; V77-W89 HydrophobicContact CG1-CD2 3.96Å; V77-W89 HydrophobicContact CG1-CE3 4.16Å; V77-W89 HydrophobicContact CG1-CG 4.05Å; V77-W89 HydrophobicContact CG2-CB 3.59Å; V77-W89 HydrophobicContact CG2-CG 3.78Å; I85-W89 WeakPolarHBondContact O-CB 3.3Å; I85-W89 PolarHBondContact O-N 3.02Å; K86-W89 PolarHBondContact O-N 3.47Å; A87-W89 VanDerWaalsContact C-N 3.27Å; A87-W89 PolarHBondContact O-N 2.95Å; W89-T91 VanDerWaalsContact C-N 3.28Å; W89-T91 PolarHBondContact O-N 2.84Å; W89-Y92 PolarHBondContact O-N 3.27Å; W89-W93 AromaticContact CD1-NE1 4Å; W89-W93 AromaticContact CD2-CD1 3.43Å; W89-W93 VanDerWaalsContact CD2-CD1 3.43Å; W89-W93 AromaticContact CD2-NE1 3.75Å; W89-W93 AromaticContact CE2-CD1 3.28Å; W89-W93 AromaticContact CE2-NE1 3.07Å; W89-W93 AromaticContact CE3-CD1 3.72Å; W89-W93 AromaticContact CH2-CD1 3.71Å; W89-W93 HydrophobicContact CH2-CG 4.47Å; W89-W93 AromaticContact CH2-NE1 3.79Å; W89-W93 AromaticContact CZ2-CD1 3.46Å; W89-W93 VanDerWaalsContact CZ2-CD1 3.46Å; W89-W93 HydrophobicContact CZ2-CG 4.48Å; W89-W93 AromaticContact CZ2-NE1 3.12Å; W89-W93 AromaticContact CZ3-CD1 3.84Å; W89-W93 AromaticContact NE1-CD1 3.71Å; W89-W93 AromaticContact NE1-NE1 3.24Å; W89-W93 PolarHBondContact O-N 2.71Å; W89-F124 AromaticContact CH2-CD1 3.72Å; W89-F124 HydrophobicContact CH2-CD1 3.72Å; W89-F124 HydrophobicContact CH2-CD2 4.36Å; W89-F124 AromaticContact CH2-CE1 3.41Å; W89-F124 HydrophobicContact CH2-CE1 3.41Å; W89-F124 VanDerWaalsContact CH2-CE1 3.41Å; W89-F124 HydrophobicContact CH2-CE2 4.16Å; W89-F124 HydrophobicContact CH2-CG 4.2Å; W89-F124 AromaticContact CH2-CZ 3.69Å; W89-F124 HydrophobicContact CH2-CZ 3.69Å; W89-F124 AromaticContact CZ3-CD1 3.56Å; W89-F124 HydrophobicContact CZ3-CD1 3.56Å; W89-F124 AromaticContact CZ3-CE1 3.75Å; W89-F124 HydrophobicContact CZ3-CE1 3.75Å; W89-F124 AromaticContact CZ3-CG 3.98Å; W89-F124 HydrophobicContact CZ3-CG 3.98Å; W89-F124 HydrophobicContact CZ3-CZ 4.38Å
90I66.2Low64.9Low49 Ų4961.6 Ų61.625%0.25127%0.268SS..Hα-helixtrans-58.7-43.7169.8-71.4167.1000110.3F40 K86 A87 Y92 W93 V94F40-I90 HydrophobicContact CZ-CG2 4.19Å; K86-I90 HydrophobicContact CG-CD1 3.86Å; K86-I90 HydrophobicContact CG-CG1 4.48Å; K86-I90 VanDerWaalsContact O-CG1 3.29Å; K86-I90 WeakPolarHBondContact O-CG1 3.44Å; K86-I90 PolarHBondContact O-N 3.4Å; A87-I90 PolarHBondContact O-N 3.33Å; I90-Y92 PolarHBondContact O-N 2.85Å; I90-W93 PolarHBondContact O-N 2.95Å; I90-V94 WeakPolarHBondContact O-CG2 3.19Å; I90-V94 PolarHBondContact O-N 3.41Å
91T66.5Low65.2Low1 Ų160.8 Ų60.81%0.00627%0.267CS..Hα-helixtrans-60.6-47.3178.1-50.90000111.1L25 M28 I34 F43 A87 R88 W89 V94 I95L25-T91 HydrophobicContact CD2-CG2 4.26Å; M28-T91 HydrophobicContact CE-CG2 4.47Å; I34-T91 HydrophobicContact CD1-CG2 4.12Å; I34-T91 VanDerWaalsContact CD1-OG1 3.26Å; I34-T91 WeakPolarHBondContact CD1-OG1 3.19Å; F43-T91 HydrophobicContact CE1-CG2 3.99Å; F43-T91 HydrophobicContact CZ-CG2 4.32Å; A87-T91 WeakPolarHBondContact O-CB 3.44Å; A87-T91 PolarHBondContact O-N 3.45Å; A87-T91 PolarHBondContact O-OG1 2.99Å; R88-T91 WeakPolarHBondContact O-CB 3.43Å; R88-T91 PolarHBondContact O-N 3.48Å; W89-T91 VanDerWaalsContact C-N 3.28Å; W89-T91 PolarHBondContact O-N 2.84Å; T91-V94 PolarHBondContact O-N 2.92Å; T91-I95 HydrophobicContact CG2-CD1 4.01Å; T91-I95 WeakPolarHBondContact O-CD1 3.44Å; T91-I95 VanDerWaalsContact O-CG1 3.3Å; T91-I95 WeakPolarHBondContact O-CG1 3.15Å; T91-I95 PolarHBondContact O-N 3.02Å
92Y67.3Low65.5Low23 Ų2351 Ų519%0.0923%0.232CC..Hα-helixtrans-59-48174.8169.1-98.2000113M65 I66 L69 R88 W89 I90 V94 I95 H96M65-Y92 WeakPolarHBondContact O-CE2 3.46Å; I66-Y92 WeakPolarHBondContact O-CE2 3.15Å; I66-Y92 PolarHBondContact O-OH 3.41Å; L69-Y92 HydrophobicContact CB-CD2 3.54Å; L69-Y92 HydrophobicContact CB-CE2 3.56Å; L69-Y92 HydrophobicContact CB-CG 4.15Å; L69-Y92 HydrophobicContact CD2-CD1 3.9Å; L69-Y92 HydrophobicContact CD2-CD2 3.79Å; L69-Y92 HydrophobicContact CD2-CE2 4.42Å; L69-Y92 HydrophobicContact CD2-CG 3.49Å; L69-Y92 VanDerWaalsContact CD2-CG 3.49Å; L69-Y92 HydrophobicContact CG-CD2 4.29Å; L69-Y92 HydrophobicContact CG-CG 4.45Å; R88-Y92 PolarHBondContact O-N 3.4Å; W89-Y92 PolarHBondContact O-N 3.27Å; I90-Y92 PolarHBondContact O-N 2.85Å; Y92-V94 VanDerWaalsContact C-N 3.32Å; Y92-V94 PolarHBondContact O-N 3.31Å; Y92-I95 WeakPolarHBondContact O-CB 3.47Å; Y92-I95 PolarHBondContact O-N 3.42Å; Y92-H96 WeakPolarHBondContact O-CB 3.22Å; Y92-H96 PolarHBondContact O-N 2.92Å
93W68.3Low65.1Low50 Ų5048.6 Ų48.619%0.18922%0.224CC..Hα-helixtrans-68.1-30.9-179.2-83102.3000113.4W89 I90 H96 C97 M120W89-W93 AromaticContact CD1-NE1 4Å; W89-W93 AromaticContact CD2-CD1 3.43Å; W89-W93 VanDerWaalsContact CD2-CD1 3.43Å; W89-W93 AromaticContact CD2-NE1 3.75Å; W89-W93 AromaticContact CE2-CD1 3.28Å; W89-W93 AromaticContact CE2-NE1 3.07Å; W89-W93 AromaticContact CE3-CD1 3.72Å; W89-W93 AromaticContact CH2-CD1 3.71Å; W89-W93 HydrophobicContact CH2-CG 4.47Å; W89-W93 AromaticContact CH2-NE1 3.79Å; W89-W93 AromaticContact CZ2-CD1 3.46Å; W89-W93 VanDerWaalsContact CZ2-CD1 3.46Å; W89-W93 HydrophobicContact CZ2-CG 4.48Å; W89-W93 AromaticContact CZ2-NE1 3.12Å; W89-W93 AromaticContact CZ3-CD1 3.84Å; W89-W93 AromaticContact NE1-CD1 3.71Å; W89-W93 AromaticContact NE1-NE1 3.24Å; W89-W93 PolarHBondContact O-N 2.71Å; I90-W93 PolarHBondContact O-N 2.95Å; W93-H96 HydrophobicContact CE3-CB 4.36Å; W93-H96 AromaticContact CZ3-CD2 3.9Å; W93-H96 PolarHBondContact O-N 2.91Å; W93-C97 WeakPolarHBondContact O-CB 3.35Å; W93-C97 PolarHBondContact O-N 3.19Å; W93-C97 PolarHBondContact O-SG 3.29Å; W93-M120 HydrophobicContact CE3-SD 4.42Å; W93-M120 HydrophobicContact CZ3-CE 4.45Å
94V66.2Low64.4Low38 Ų3838.9 Ų38.923%0.2319%0.189CC..Hα-helixtrans-73.3-39.3173.6170.60000111.5F40 V44 I90 T91 Y92 H96 C97 L98F40-V94 HydrophobicContact CE1-CG2 4.37Å; F40-V94 HydrophobicContact CZ-CB 3.92Å; F40-V94 HydrophobicContact CZ-CG1 3.91Å; F40-V94 HydrophobicContact CZ-CG2 3.83Å; V44-V94 HydrophobicContact CG2-CG1 3.71Å; I90-V94 WeakPolarHBondContact O-CG2 3.19Å; I90-V94 PolarHBondContact O-N 3.41Å; T91-V94 PolarHBondContact O-N 2.92Å; Y92-V94 VanDerWaalsContact C-N 3.32Å; Y92-V94 PolarHBondContact O-N 3.31Å; V94-H96 VanDerWaalsContact C-N 3.34Å; V94-H96 PolarHBondContact O-N 2.88Å; V94-C97 PolarHBondContact O-N 2.98Å; V94-L98 HydrophobicContact CG1-CD1 3.74Å; V94-L98 HydrophobicContact CG1-CG 4.28Å; V94-L98 WeakPolarHBondContact O-CB 3.21Å; V94-L98 VanDerWaalsContact O-CG 3.23Å; V94-L98 WeakPolarHBondContact O-CG 3.5Å; V94-L98 PolarHBondContact O-N 2.82Å
95I67.5Low63.9Low1 Ų136.2 Ų36.21%0.00519%0.193CC..Hα-helixtrans-55.6-49.4167.4-72.9160.7000110.6M28 F43 Y47 M65 T91 Y92 C97 L98 T99M28-I95 HydrophobicContact CE-CD1 4.43Å; F43-I95 HydrophobicContact CE1-CD1 4.49Å; F43-I95 HydrophobicContact CE1-CG1 4.2Å; F43-I95 HydrophobicContact CZ-CD1 4.04Å; F43-I95 HydrophobicContact CZ-CG1 3.96Å; Y47-I95 HydrophobicContact CE1-CB 4.26Å; Y47-I95 HydrophobicContact CE1-CG1 4.18Å; Y47-I95 HydrophobicContact CE1-CG2 3.98Å; M65-I95 HydrophobicContact CB-CG2 3.7Å; M65-I95 HydrophobicContact CE-CD1 3.63Å; M65-I95 HydrophobicContact CE-CG1 4.02Å; M65-I95 HydrophobicContact CE-CG2 4.1Å; M65-I95 HydrophobicContact SD-CD1 4.26Å; T91-I95 HydrophobicContact CG2-CD1 4.01Å; T91-I95 WeakPolarHBondContact O-CD1 3.44Å; T91-I95 VanDerWaalsContact O-CG1 3.3Å; T91-I95 WeakPolarHBondContact O-CG1 3.15Å; T91-I95 PolarHBondContact O-N 3.02Å; Y92-I95 WeakPolarHBondContact O-CB 3.47Å; Y92-I95 PolarHBondContact O-N 3.42Å; I95-C97 PolarHBondContact O-N 2.71Å; I95-L98 PolarHBondContact O-N 3.31Å; I95-T99 WeakPolarHBondContact O-CB 3.28Å; I95-T99 PolarHBondContact O-N 2.81Å; I95-T99 PolarHBondContact O-OG1 3.42Å
96H66.9Low63.4Low43 Ų4340.1 Ų40.120%0.19922%0.222CC..Hα-helixtrans-60.6-43.9179-175.5-36.3000111.6I66 Y92 W93 V94 S100I66-H96 HydrophobicContact CG1-CB 4.19Å; Y92-H96 WeakPolarHBondContact O-CB 3.22Å; Y92-H96 PolarHBondContact O-N 2.92Å; W93-H96 HydrophobicContact CE3-CB 4.36Å; W93-H96 AromaticContact CZ3-CD2 3.9Å; W93-H96 PolarHBondContact O-N 2.91Å; V94-H96 VanDerWaalsContact C-N 3.34Å; V94-H96 PolarHBondContact O-N 2.88Å; H96-S100 PolarHBondContact CE1-OG 3.28Å; H96-S100 PolarHBondContact ND1-OG 3.03Å; H96-S100 WeakPolarHBondContact O-CB 3.42Å; H96-S100 PolarHBondContact O-N 2.93Å; H96-S100 PolarHBondContact O-OG 3.19Å
97C64.9Low62.8Low21 Ų2140.3 Ų40.314%0.14223%0.227CC..Hα-helixtrans-64.3-48.8178.1-70.70000111.6W93 V94 I95 S100 M101 V117W93-C97 WeakPolarHBondContact O-CB 3.35Å; W93-C97 PolarHBondContact O-N 3.19Å; W93-C97 PolarHBondContact O-SG 3.29Å; V94-C97 PolarHBondContact O-N 2.98Å; I95-C97 PolarHBondContact O-N 2.71Å; C97-S100 PolarHBondContact O-N 2.82Å; C97-M101 WeakPolarHBondContact O-CG 3.38Å; C97-M101 PolarHBondContact O-N 2.97Å; C97-V117 HydrophobicContact CB-CG1 4.46Å; C97-V117 HydrophobicContact CB-CG2 4.21Å
98L66.3Low62.1Low32 Ų3250.8 Ų50.817%0.16826%0.264CS..Hα-helixtrans-62.9-46.9-178.4-68.2167.5000111.9V44 Y47 L51 V94 I95 S100 M101 Q102V44-L98 HydrophobicContact CG1-CD1 4.15Å; Y47-L98 HydrophobicContact CD1-CB 4.19Å; Y47-L98 HydrophobicContact CD1-CD1 3.88Å; Y47-L98 HydrophobicContact CE1-CB 4.36Å; L51-L98 HydrophobicContact CD1-CB 3.63Å; V94-L98 HydrophobicContact CG1-CD1 3.74Å; V94-L98 HydrophobicContact CG1-CG 4.28Å; V94-L98 WeakPolarHBondContact O-CB 3.21Å; V94-L98 VanDerWaalsContact O-CG 3.23Å; V94-L98 WeakPolarHBondContact O-CG 3.5Å; V94-L98 PolarHBondContact O-N 2.82Å; I95-L98 PolarHBondContact O-N 3.31Å; L98-S100 PolarHBondContact O-N 2.97Å; L98-M101 WeakPolarHBondContact O-CB 3.47Å; L98-M101 PolarHBondContact O-N 3.45Å; L98-Q102 PolarHBondContact O-N 2.84Å; L98-Q102 VanDerWaalsContact O-N 3.13Å
99T66.6Low61.7Low0 Ų054.4 Ų54.40%028%0.278CS..Hα-helixtrans-65.3-38.8175.6-61.30000111.5Y47 I66 I95 M101 Q102 V103Y47-T99 PolarHBondContact OH-OG1 3.27Å; I66-T99 HydrophobicContact CD1-CG2 3.67Å; I95-T99 WeakPolarHBondContact O-CB 3.28Å; I95-T99 PolarHBondContact O-N 2.81Å; I95-T99 PolarHBondContact O-OG1 3.42Å; T99-M101 VanDerWaalsContact C-N 3.3Å; T99-M101 PolarHBondContact O-N 2.93Å; T99-Q102 WeakPolarHBondContact O-CB 3.42Å; T99-Q102 PolarHBondContact O-N 3.48Å; T99-V103 PolarHBondContact O-N 2.79Å
100S63.4Low61Low16 Ų1656.2 Ų56.211%0.11229%0.291CS..Hα-helixtrans-64.8-33.5173.8-63.20000112.5H96 C97 L98 V103 S104H96-S100 PolarHBondContact CE1-OG 3.28Å; H96-S100 PolarHBondContact ND1-OG 3.03Å; H96-S100 WeakPolarHBondContact O-CB 3.42Å; H96-S100 PolarHBondContact O-N 2.93Å; H96-S100 PolarHBondContact O-OG 3.19Å; C97-S100 PolarHBondContact O-N 2.82Å; L98-S100 PolarHBondContact O-N 2.97Å; S100-V103 PolarHBondContact O-N 3.46Å; S100-S104 WeakPolarHBondContact O-CB 3.42Å; S100-S104 PolarHBondContact O-N 3.23Å; S100-S104 PolarHBondContact O-OG 2.83Å
101M61.9Low60.2Low81 Ų8158.5 Ų58.540%0.39931%0.307SS..Hα-helixtrans-64.9-40.8174.3-76.4-179.670.400111.3C97 L98 T99 V103 S104 A105 L114 V117C97-M101 WeakPolarHBondContact O-CG 3.38Å; C97-M101 PolarHBondContact O-N 2.97Å; L98-M101 WeakPolarHBondContact O-CB 3.47Å; L98-M101 PolarHBondContact O-N 3.45Å; T99-M101 VanDerWaalsContact C-N 3.3Å; T99-M101 PolarHBondContact O-N 2.93Å; M101-V103 VanDerWaalsContact C-N 3.3Å; M101-V103 PolarHBondContact O-N 2.86Å; M101-S104 WeakPolarHBondContact CA-OG 3.47Å; M101-S104 PolarHBondContact O-N 3.36Å; M101-S104 PolarHBondContact O-OG 3.05Å; M101-A105 PolarHBondContact O-N 3.45Å; M101-A105 VanDerWaalsContact O-N 3.1Å; M101-L114 HydrophobicContact CE-CD2 4.3Å; M101-V117 HydrophobicContact CG-CG2 4.49Å; M101-V117 HydrophobicContact SD-CG1 4.45Å
102Q62.3Low59.6Low51 Ų5162.6 Ų62.624%0.23833%0.328CS..Hα-helixtrans-58.7-39.8173.5-170.6-174.2-0.900112.1L51 L98 T99L51-Q102 PolarHBondContact O-NE2 3.01Å; L51-Q102 VanDerWaalsContact O-NE2 3.1Å; L98-Q102 PolarHBondContact O-N 2.84Å; L98-Q102 VanDerWaalsContact O-N 3.13Å; T99-Q102 WeakPolarHBondContact O-CB 3.42Å; T99-Q102 PolarHBondContact O-N 3.48Å
103V58Low58.8Low61 Ų6166.5 Ų66.537%0.3734%0.343SS..Hα-helixtrans-68.3-46.6173.9-175.10000111.2Y59 T99 S100 M101 A105 S106Y59-V103 HydrophobicContact CE2-CG2 4.1Å; T99-V103 PolarHBondContact O-N 2.79Å; S100-V103 PolarHBondContact O-N 3.46Å; M101-V103 VanDerWaalsContact C-N 3.3Å; M101-V103 PolarHBondContact O-N 2.86Å; V103-A105 PolarHBondContact O-N 2.99Å; V103-A105 VanDerWaalsContact O-N 3.13Å; V103-S106 PolarHBondContact O-N 2.83Å; V103-S106 PolarHBondContact O-OG 3.18Å
104S51.1Low58.1Low11 Ų1168.1 Ų68.18%0.07736%0.355CS..Hα-helixtrans-66.2-16.4-17673.80000114.5S100 M101 S106 D107S100-S104 WeakPolarHBondContact O-CB 3.42Å; S100-S104 PolarHBondContact O-N 3.23Å; S100-S104 PolarHBondContact O-OG 2.83Å; M101-S104 WeakPolarHBondContact CA-OG 3.47Å; M101-S104 PolarHBondContact O-N 3.36Å; M101-S104 PolarHBondContact O-OG 3.05Å; S104-S106 PolarHBondContact O-N 2.79Å; S104-D107 PolarHBondContact O-N 2.87Å
105A54.4Low57.5Low80 Ų8070 Ų7066%0.66136%0.363SS*.THydrogen-bonded Turntrans-67.4-8.1177.200000114.2M101 V103M101-A105 PolarHBondContact O-N 3.45Å; M101-A105 VanDerWaalsContact O-N 3.1Å; V103-A105 PolarHBondContact O-N 2.99Å; V103-A105 VanDerWaalsContact O-N 3.13Å
106S55.5Low57Low106 Ų10675.6 Ų75.674%0.74139%0.387SS*.THydrogen-bonded Turntrans-104.2-10.4175.165.10000115V103 S104V103-S106 PolarHBondContact O-N 2.83Å; V103-S106 PolarHBondContact O-OG 3.18Å; S104-S106 PolarHBondContact O-N 2.79Å
107D50.4Low56.3Low85 Ų8574.5 Ų74.546%0.45538%0.384SS..SBendtrans-133.9150.2-164.3-164.68.5000114.2S104 Y109 T110S104-D107 PolarHBondContact O-N 2.87Å; D107-Y109 PolarHBondContact O-N 2.9Å; D107-Y109 WeakPolarHBondContact OD2-CD2 2.97Å; D107-T110 PolarHBondContact O-N 3.35Å; D107-T110 PolarHBondContact O-OG1 3.46Å
108R50.6Low55.9Low235 Ų23581.8 Ų81.889%0.88741%0.408SS*.THydrogen-bonded Turntrans-62.3-13.2-171.7-68.7-177.9175.4172.20.6114.8T110R108-T110 PolarHBondContact O-N 3.21Å
109Y54.9Low55.5Low145 Ų14584.5 Ų84.557%0.56942%0.422SS*.THydrogen-bonded Turntrans-82.77.3179.2-60.3-73.8000113.9D107 V111 I112 Y113D107-Y109 PolarHBondContact O-N 2.9Å; D107-Y109 WeakPolarHBondContact OD2-CD2 2.97Å; Y109-V111 PolarHBondContact O-N 3Å; Y109-V111 VanDerWaalsContact O-N 3.08Å; Y109-I112 HydrophobicContact CD1-CD1 4.29Å; Y109-I112 PolarHBondContact O-N 2.74Å; Y109-Y113 PolarHBondContact O-N 3.37Å
110T52.8Low55Low52 Ų5286.5 Ų86.532%0.31943%0.432SS..Hα-helixtrans-46.1-42.1179.8-15.40000113D107 R108 Y113 L114D107-T110 PolarHBondContact O-N 3.35Å; D107-T110 PolarHBondContact O-OG1 3.46Å; R108-T110 PolarHBondContact O-N 3.21Å; T110-Y113 PolarHBondContact O-N 3.06Å; T110-L114 HydrophobicContact CG2-CD1 4.43Å; T110-L114 WeakPolarHBondContact O-CB 3.39Å; T110-L114 VanDerWaalsContact O-CG 3.25Å; T110-L114 WeakPolarHBondContact O-CG 3.39Å; T110-L114 PolarHBondContact O-N 2.03Å
111V49.6Very low54.5Low97 Ų9789 Ų8959%0.58844%0.444SS*.Hα-helixtrans-65.8-41.4-179.4-178.90000112.2Y109 L114 I115Y109-V111 PolarHBondContact O-N 3Å; Y109-V111 VanDerWaalsContact O-N 3.08Å; V111-L114 PolarHBondContact O-N 2.91Å; V111-I115 HydrophobicContact CG1-CD1 4.06Å; V111-I115 VanDerWaalsContact O-CG1 3.28Å; V111-I115 WeakPolarHBondContact O-CG1 3.47Å; V111-I115 PolarHBondContact O-N 2.86Å
112I52.8Low54.2Low87 Ų8787.9 Ų87.945%0.44644%0.439SS..Hα-helixtrans-69.7-38.8178.4-59-177.3000110Y109 I115 K116 M240Y109-I112 HydrophobicContact CD1-CD1 4.29Å; Y109-I112 PolarHBondContact O-N 2.74Å; I112-I115 PolarHBondContact O-N 2.9Å; I112-K116 WeakPolarHBondContact O-CB 3.23Å; I112-K116 PolarHBondContact O-N 3.18Å; I112-M240 HydrophobicContact CD1-SD 4.39Å
113Y51.5Low53.8Low104 Ų10486.4 Ų86.441%0.40843%0.432SS..Hα-helixtrans-65.2-42.9173.6-90.9-96.5000112.5Y109 T110 I115 K116 V117Y109-Y113 PolarHBondContact O-N 3.37Å; T110-Y113 PolarHBondContact O-N 3.06Å; Y113-I115 PolarHBondContact O-N 2.97Å; Y113-K116 PolarHBondContact O-N 2.95Å; Y113-V117 WeakPolarHBondContact O-CG2 3.04Å; Y113-V117 PolarHBondContact O-N 3Å
114L52.7Low53.5Low85 Ų8585.6 Ų85.645%0.44542%0.424SS..Hα-helixtrans-60.6-44.1174.2-76.3168.3000111.3M101 T110 V111 K116 V117 W118M101-L114 HydrophobicContact CE-CD2 4.3Å; T110-L114 HydrophobicContact CG2-CD1 4.43Å; T110-L114 WeakPolarHBondContact O-CB 3.39Å; T110-L114 VanDerWaalsContact O-CG 3.25Å; T110-L114 WeakPolarHBondContact O-CG 3.39Å; T110-L114 PolarHBondContact O-N 2.03Å; V111-L114 PolarHBondContact O-N 2.91Å; L114-K116 VanDerWaalsContact C-N 3.34Å; L114-K116 PolarHBondContact O-N 3.45Å; L114-V117 PolarHBondContact O-N 3.42Å; L114-W118 WeakPolarHBondContact O-CB 3.45Å; L114-W118 PolarHBondContact O-N 3.29Å
115I54.2Low53.4Low76 Ų7689.4 Ų89.439%0.3944%0.443SS..Hα-helixtrans-60.5-42.2174-69.9164.7000111.1V111 I112 Y113 W118 L119V111-I115 HydrophobicContact CG1-CD1 4.06Å; V111-I115 VanDerWaalsContact O-CG1 3.28Å; V111-I115 WeakPolarHBondContact O-CG1 3.47Å; V111-I115 PolarHBondContact O-N 2.86Å; I112-I115 PolarHBondContact O-N 2.9Å; Y113-I115 PolarHBondContact O-N 2.97Å; I115-W118 PolarHBondContact O-N 2.8Å; I115-L119 HydrophobicContact CG2-CD1 4.01Å; I115-L119 WeakPolarHBondContact O-CB 3.39Å; I115-L119 WeakPolarHBondContact O-CG 3.47Å; I115-L119 PolarHBondContact O-N 3.29Å
116K55.6Low53Low120 Ų12091.6 Ų91.652%0.52244%0.44SS..Hα-helixtrans-64.3-40.5177.3-170.2176.4-179.3-179.70112.2I112 Y113 L114 M120I112-K116 WeakPolarHBondContact O-CB 3.23Å; I112-K116 PolarHBondContact O-N 3.18Å; Y113-K116 PolarHBondContact O-N 2.95Å; L114-K116 VanDerWaalsContact C-N 3.34Å; L114-K116 PolarHBondContact O-N 3.45Å; K116-M120 VanDerWaalsContact O-CG 3.29Å; K116-M120 WeakPolarHBondContact O-CG 3.49Å; K116-M120 PolarHBondContact O-N 3.49Å; K116-M120 VanDerWaalsContact O-N 3.09Å
117V53Low52.6Low20 Ų2092.9 Ų92.912%0.12145%0.445CS..Hα-helixtrans-67.5-40.5173.6172.70000110.9C97 M101 Y113 L114 M120 I121C97-V117 HydrophobicContact CB-CG1 4.46Å; C97-V117 HydrophobicContact CB-CG2 4.21Å; M101-V117 HydrophobicContact CG-CG2 4.49Å; M101-V117 HydrophobicContact SD-CG1 4.45Å; Y113-V117 WeakPolarHBondContact O-CG2 3.04Å; Y113-V117 PolarHBondContact O-N 3Å; L114-V117 PolarHBondContact O-N 3.42Å; V117-M120 WeakPolarHBondContact O-CB 3.29Å; V117-M120 PolarHBondContact O-N 2.95Å; V117-I121 HydrophobicContact CG1-CD1 3.91Å; V117-I121 WeakPolarHBondContact O-CG1 3.4Å; V117-I121 PolarHBondContact O-N 2.88Å
118W56.5Low52.7Low174 Ų17493.5 Ų93.566%0.65945%0.448SS*.Hα-helixtrans-66.4-39.2177.8-13083.6000112.4L114 I115 I121 I122L114-W118 WeakPolarHBondContact O-CB 3.45Å; L114-W118 PolarHBondContact O-N 3.29Å; I115-W118 PolarHBondContact O-N 2.8Å; W118-I121 WeakPolarHBondContact O-CB 3.27Å; W118-I121 PolarHBondContact O-N 2.87Å; W118-I122 HydrophobicContact CE3-CD1 3.56Å; W118-I122 HydrophobicContact CE3-CG1 3.78Å; W118-I122 HydrophobicContact CZ3-CD1 3.73Å; W118-I122 HydrophobicContact CZ3-CG1 3.83Å; W118-I122 WeakPolarHBondContact O-CG1 3.45Å; W118-I122 PolarHBondContact O-N 3.26Å
119L56.8Low52.9Low88 Ų8885 Ų8546%0.46142%0.42SS..Hα-helixtrans-61.8-44.2171.3-77.7166.4000111.5I115 I121 I122 L123I115-L119 HydrophobicContact CG2-CD1 4.01Å; I115-L119 WeakPolarHBondContact O-CB 3.39Å; I115-L119 WeakPolarHBondContact O-CG 3.47Å; I115-L119 PolarHBondContact O-N 3.29Å; L119-I121 VanDerWaalsContact C-N 3.28Å; L119-I121 PolarHBondContact O-N 3.09Å; L119-I122 PolarHBondContact O-N 3.06Å; L119-L123 WeakPolarHBondContact O-CB 3.41Å; L119-L123 WeakPolarHBondContact O-CD1 3.29Å; L119-L123 WeakPolarHBondContact O-CG 3.34Å; L119-L123 PolarHBondContact O-N 3.12Å
120M57.1Low53Low42 Ų4278.5 Ų78.521%0.20740%0.397CS..Hα-helixtrans-61.3-37.3173.4-71.4-76.6162.600111.9W93 K116 V117 F124W93-M120 HydrophobicContact CE3-SD 4.42Å; W93-M120 HydrophobicContact CZ3-CE 4.45Å; K116-M120 VanDerWaalsContact O-CG 3.29Å; K116-M120 WeakPolarHBondContact O-CG 3.49Å; K116-M120 PolarHBondContact O-N 3.49Å; K116-M120 VanDerWaalsContact O-N 3.09Å; V117-M120 WeakPolarHBondContact O-CB 3.29Å; V117-M120 PolarHBondContact O-N 2.95Å; M120-F124 HydrophobicContact CB-CD2 4.46Å; M120-F124 HydrophobicContact CE-CE2 4.42Å; M120-F124 WeakPolarHBondContact O-CB 3.38Å; M120-F124 VanDerWaalsContact O-CD2 3.27Å; M120-F124 WeakPolarHBondContact O-CD2 3.46Å; M120-F124 PolarHBondContact O-N 3.45Å; M120-F124 HydrophobicContact SD-CD2 3.78Å; M120-F124 HydrophobicContact SD-CE2 3.49Å; M120-F124 WeakPolarHBondContact SD-CE2 3.16Å
121I53.8Low53.2Low69 Ų6977.4 Ų77.435%0.35439%0.389SS..Hα-helixtrans-64.4-51.8174.6-73.7166.3000111.2V117 W118 L119 L123 F124 L125V117-I121 HydrophobicContact CG1-CD1 3.91Å; V117-I121 WeakPolarHBondContact O-CG1 3.4Å; V117-I121 PolarHBondContact O-N 2.88Å; W118-I121 WeakPolarHBondContact O-CB 3.27Å; W118-I121 PolarHBondContact O-N 2.87Å; L119-I121 VanDerWaalsContact C-N 3.28Å; L119-I121 PolarHBondContact O-N 3.09Å; I121-L123 VanDerWaalsContact C-N 3.3Å; I121-L123 PolarHBondContact O-N 3.48Å; I121-F124 PolarHBondContact O-N 2.82Å; I121-L125 HydrophobicContact CB-CD1 4.25Å; I121-L125 HydrophobicContact CG1-CD1 4.04Å; I121-L125 HydrophobicContact CG2-CD1 3.87Å; I121-L125 WeakPolarHBondContact O-CB 3.35Å; I121-L125 PolarHBondContact O-N 2.86Å
122I54.3Low53.7Low58 Ų5874 Ų7430%0.29737%0.373SS..Hα-helixtrans-54.6-48.3176.5-66.5164.4000110.8W118 L119 I128 G130W118-I122 HydrophobicContact CE3-CD1 3.56Å; W118-I122 HydrophobicContact CE3-CG1 3.78Å; W118-I122 HydrophobicContact CZ3-CD1 3.73Å; W118-I122 HydrophobicContact CZ3-CG1 3.83Å; W118-I122 WeakPolarHBondContact O-CG1 3.45Å; W118-I122 PolarHBondContact O-N 3.26Å; L119-I122 PolarHBondContact O-N 3.06Å; I122-I128 HydrophobicContact CG2-CG2 4.17Å; I122-I128 WeakPolarHBondContact O-CG2 3.24Å; I122-G130 WeakPolarHBondContact O-CA 3.13Å; I122-G130 PolarHBondContact O-N 3.38Å
123L53.5Low54.3Low19 Ų1975 Ų7510%0.09937%0.372CS..Hα-helixtrans-69.4-40.9-173-70.3169.4000112.2L119 I121 G130 L131 L134 F248L119-L123 WeakPolarHBondContact O-CB 3.41Å; L119-L123 WeakPolarHBondContact O-CD1 3.29Å; L119-L123 WeakPolarHBondContact O-CG 3.34Å; L119-L123 PolarHBondContact O-N 3.12Å; I121-L123 VanDerWaalsContact C-N 3.3Å; I121-L123 PolarHBondContact O-N 3.48Å; L123-G130 PolarHBondContact O-N 3.48Å; L123-L131 VanDerWaalsContact O-CB 3.22Å; L123-L131 WeakPolarHBondContact O-CB 3.2Å; L123-L131 PolarHBondContact O-N 3.35Å; L123-L134 HydrophobicContact CD2-CB 4.47Å; L123-L134 HydrophobicContact CD2-CD1 3.84Å; L123-F248 HydrophobicContact CD1-CE1 4.32Å; L123-F248 HydrophobicContact CD1-CZ 4.25Å
124F51.8Low54.9Low45 Ų4571.2 Ų71.220%0.19736%0.359CS..Hα-helixtrans-115.2-9.3-163.8-57.6-73.5000115.9W89 M120 I121 L131W89-F124 AromaticContact CH2-CD1 3.72Å; W89-F124 HydrophobicContact CH2-CD1 3.72Å; W89-F124 HydrophobicContact CH2-CD2 4.36Å; W89-F124 AromaticContact CH2-CE1 3.41Å; W89-F124 HydrophobicContact CH2-CE1 3.41Å; W89-F124 VanDerWaalsContact CH2-CE1 3.41Å; W89-F124 HydrophobicContact CH2-CE2 4.16Å; W89-F124 HydrophobicContact CH2-CG 4.2Å; W89-F124 AromaticContact CH2-CZ 3.69Å; W89-F124 HydrophobicContact CH2-CZ 3.69Å; W89-F124 AromaticContact CZ3-CD1 3.56Å; W89-F124 HydrophobicContact CZ3-CD1 3.56Å; W89-F124 AromaticContact CZ3-CE1 3.75Å; W89-F124 HydrophobicContact CZ3-CE1 3.75Å; W89-F124 AromaticContact CZ3-CG 3.98Å; W89-F124 HydrophobicContact CZ3-CG 3.98Å; W89-F124 HydrophobicContact CZ3-CZ 4.38Å; M120-F124 HydrophobicContact CB-CD2 4.46Å; M120-F124 HydrophobicContact CE-CE2 4.42Å; M120-F124 WeakPolarHBondContact O-CB 3.38Å; M120-F124 VanDerWaalsContact O-CD2 3.27Å; M120-F124 WeakPolarHBondContact O-CD2 3.46Å; M120-F124 PolarHBondContact O-N 3.45Å; M120-F124 HydrophobicContact SD-CD2 3.78Å; M120-F124 HydrophobicContact SD-CE2 3.49Å; M120-F124 WeakPolarHBondContact SD-CE2 3.16Å; I121-F124 PolarHBondContact O-N 2.82Å; F124-L131 HydrophobicContact CD1-CB 4.16Å; F124-L131 HydrophobicContact CD1-CD2 4Å; F124-L131 HydrophobicContact CD1-CG 4.45Å; F124-L131 HydrophobicContact CE1-CB 4.01Å; F124-L131 HydrophobicContact CE1-CD1 3.65Å; F124-L131 HydrophobicContact CE1-CD2 3.62Å; F124-L131 HydrophobicContact CE1-CG 3.93Å; F124-L131 HydrophobicContact CZ-CD1 4.01Å
125L50Low55.5Low91 Ų9169.9 Ų69.948%0.47635%0.352SS..SBendtrans-91.4115.6171.7-89.1149.7000112.2I121 I128 D129I121-L125 HydrophobicContact CB-CD1 4.25Å; I121-L125 HydrophobicContact CG1-CD1 4.04Å; I121-L125 HydrophobicContact CG2-CD1 3.87Å; I121-L125 WeakPolarHBondContact O-CB 3.35Å; I121-L125 PolarHBondContact O-N 2.86Å; L125-I128 PolarHBondContact O-N 2.92Å; L125-D129 PolarHBondContact O-N 3.5Å
126Q45.2Very low56.4Low126 Ų12670.1 Ų70.159%0.58935%0.351SS*.THydrogen-bonded Turntrans-65.1127156.2-68.3177.8-31.900106.9D129Q126-D129 HydrophobicContact CG-CB 4.16Å; Q126-D129 PolarHBondContact NE2-OD2 3.35Å
127P47.9Very low57.2Low133 Ų13367.4 Ų67.486%0.86434%0.34SS*.THydrogen-bonded Turncis-91.4-8.637.134.5-38.8000117
128I51.6Low58Low98 Ų9868.6 Ų68.650%0.50334%0.342SS..THydrogen-bonded Turntrans-76.2-36.7-170.7-56.9172.7000111.5I122 L125 G130I122-I128 HydrophobicContact CG2-CG2 4.17Å; I122-I128 WeakPolarHBondContact O-CG2 3.24Å; L125-I128 PolarHBondContact O-N 2.92Å; I128-G130 PolarHBondContact O-N 2.97Å; I128-G130 VanDerWaalsContact O-N 3.16Å
129D55.6Low58.5Low56 Ų5661.1 Ų61.130%0.29932%0.315SS..  trans44.843.4-174.2-141.5-25.8000112.5L125 Q126 L131 G132 Y133L125-D129 PolarHBondContact O-N 3.5Å; Q126-D129 HydrophobicContact CG-CB 4.16Å; Q126-D129 PolarHBondContact NE2-OD2 3.35Å; D129-L131 PolarHBondContact O-N 3.32Å; D129-L131 VanDerWaalsContact O-N 3.15Å; D129-G132 WeakPolarHBondContact O-CA 3.1Å; D129-G132 PolarHBondContact O-N 3.44Å; D129-Y133 PolarHBondContact O-N 3.03Å
130G56.6Low59.2Low9 Ų959.9 Ų59.99%0.09331%0.309CS..Hα-helixtrans-61.4-26.1-172.800000113.5I122 L123 I128 L134I122-G130 WeakPolarHBondContact O-CA 3.13Å; I122-G130 PolarHBondContact O-N 3.38Å; L123-G130 PolarHBondContact O-N 3.48Å; I128-G130 PolarHBondContact O-N 2.97Å; I128-G130 VanDerWaalsContact O-N 3.16Å; G130-L134 WeakPolarHBondContact O-CB 3.47Å; G130-L134 PolarHBondContact O-N 3.25Å
131L56.8Low60.1Low29 Ų2957.9 Ų57.915%0.15230%0.299CS..Hα-helixtrans-65.8-44.4168.4-177.776.1000111.3L78 L123 F124 D129 Y133 L134 L135L78-L131 HydrophobicContact CD2-CD1 4.37Å; L78-L131 HydrophobicContact CD2-CD2 4.31Å; L123-L131 VanDerWaalsContact O-CB 3.22Å; L123-L131 WeakPolarHBondContact O-CB 3.2Å; L123-L131 PolarHBondContact O-N 3.35Å; F124-L131 HydrophobicContact CD1-CB 4.16Å; F124-L131 HydrophobicContact CD1-CD2 4Å; F124-L131 HydrophobicContact CD1-CG 4.45Å; F124-L131 HydrophobicContact CE1-CB 4.01Å; F124-L131 HydrophobicContact CE1-CD1 3.65Å; F124-L131 HydrophobicContact CE1-CD2 3.62Å; F124-L131 HydrophobicContact CE1-CG 3.93Å; F124-L131 HydrophobicContact CZ-CD1 4.01Å; D129-L131 PolarHBondContact O-N 3.32Å; D129-L131 VanDerWaalsContact O-N 3.15Å; L131-Y133 VanDerWaalsContact C-N 3.35Å; L131-L134 PolarHBondContact O-N 2.95Å; L131-L135 HydrophobicContact CD1-CD1 4.4Å; L131-L135 HydrophobicContact CD2-CD1 4.2Å; L131-L135 HydrophobicContact CG-CD1 3.84Å; L131-L135 HydrophobicContact CG-CG 4.39Å; L131-L135 VanDerWaalsContact O-CB 3.28Å; L131-L135 WeakPolarHBondContact O-CB 3.48Å; L131-L135 VanDerWaalsContact O-CG 3.29Å; L131-L135 WeakPolarHBondContact O-CG 3.46Å; L131-L135 PolarHBondContact O-N 3.17Å
132G61.2Low60.9Low25 Ų2554.9 Ų54.926%0.25828%0.284SS..Hα-helixtrans-58.2-47.5173.500000111.4D129 L134 L135 E136D129-G132 WeakPolarHBondContact O-CA 3.1Å; D129-G132 PolarHBondContact O-N 3.44Å; G132-L134 PolarHBondContact O-N 3.35Å; G132-L135 PolarHBondContact O-N 3.46Å; G132-E136 VanDerWaalsContact O-CB 3.26Å; G132-E136 WeakPolarHBondContact O-CB 3.31Å; G132-E136 PolarHBondContact O-N 3.04Å
133Y64.3Low61.7Low109 Ų10955 Ų5543%0.42728%0.281SS..Hα-helixtrans-60-43.4175.2-170.2-86.3000112.7D129 L131 K137 Y138D129-Y133 PolarHBondContact O-N 3.03Å; L131-Y133 VanDerWaalsContact C-N 3.35Å; Y133-K137 HydrophobicContact CD2-CD 4.4Å; Y133-K137 HydrophobicContact CE1-CD 4.01Å; Y133-K137 HydrophobicContact CE1-CG 4.38Å; Y133-K137 HydrophobicContact CE2-CD 3.82Å; Y133-K137 HydrophobicContact CE2-CG 4.41Å; Y133-K137 VanDerWaalsContact O-CB 3.28Å; Y133-K137 WeakPolarHBondContact O-CB 3.01Å; Y133-K137 WeakPolarHBondContact O-CG 3.18Å; Y133-K137 PolarHBondContact O-N 2.96Å; Y133-K137 PolarHBondContact OH-NZ 3.31Å; Y133-K137 VanDerWaalsContact OH-NZ 3.13Å; Y133-Y138 HydrophobicContact CE1-CE2 4.31Å
134L64.6Low62.6Low24 Ų2455.1 Ų55.113%0.12628%0.282CS..Hα-helixtrans-71.7-37.4-179.7-168.5152.5000111.8L123 G130 L131 G132 Y138 I139 F248 L252L123-L134 HydrophobicContact CD2-CB 4.47Å; L123-L134 HydrophobicContact CD2-CD1 3.84Å; G130-L134 WeakPolarHBondContact O-CB 3.47Å; G130-L134 PolarHBondContact O-N 3.25Å; L131-L134 PolarHBondContact O-N 2.95Å; G132-L134 PolarHBondContact O-N 3.35Å; L134-Y138 WeakPolarHBondContact O-CB 3.17Å; L134-Y138 PolarHBondContact O-N 2.76Å; L134-I139 HydrophobicContact CD2-CD1 3.52Å; L134-I139 HydrophobicContact CD2-CG1 3.95Å; L134-I139 PolarHBondContact O-N 2.94Å; L134-F248 HydrophobicContact CD1-CE1 4.35Å; L134-L252 HydrophobicContact CD2-CD1 4.06Å
135L65.2Low63.6Low56 Ų5653 Ų5329%0.29327%0.273SS..Iπ-helixtrans-61.7-58171.4-78.8163.4000110.8L131 G132 K137 I139 D140L131-L135 HydrophobicContact CD1-CD1 4.4Å; L131-L135 HydrophobicContact CD2-CD1 4.2Å; L131-L135 HydrophobicContact CG-CD1 3.84Å; L131-L135 HydrophobicContact CG-CG 4.39Å; L131-L135 VanDerWaalsContact O-CB 3.28Å; L131-L135 WeakPolarHBondContact O-CB 3.48Å; L131-L135 VanDerWaalsContact O-CG 3.29Å; L131-L135 WeakPolarHBondContact O-CG 3.46Å; L131-L135 PolarHBondContact O-N 3.17Å; G132-L135 PolarHBondContact O-N 3.46Å; L135-K137 PolarHBondContact O-N 2.96Å; L135-I139 HydrophobicContact CD2-CB 4.28Å; L135-I139 HydrophobicContact CD2-CD1 3.67Å; L135-I139 HydrophobicContact CD2-CG2 4.34Å; L135-I139 HydrophobicContact CG-CD1 4.22Å; L135-I139 PolarHBondContact O-N 3.35Å; L135-I139 VanDerWaalsContact O-N 3.15Å; L135-D140 PolarHBondContact O-N 3.06Å
136E72.2Confident64.4Low82 Ų8250.3 Ų50.338%0.38326%0.26SS..Iπ-helixtrans-68.5-37-171.4-174.7170.5-141.700113.2G132 P141 R157G132-E136 VanDerWaalsContact O-CB 3.26Å; G132-E136 WeakPolarHBondContact O-CB 3.31Å; G132-E136 PolarHBondContact O-N 3.04Å; E136-P141 WeakPolarHBondContact O-CD 3.48Å; E136-R157 HydrophobicContact CG-CB 4.41Å; E136-R157 VanDerWaalsContact OE1-CD 3.32Å; E136-R157 WeakPolarHBondContact OE1-CD 3.32Å; E136-R157 IonicContact OE1-CZ 3.95Å; E136-R157 IonicContact OE1-NE 2.85Å; E136-R157 IonicContact OE1-NH1 3.2Å; E136-R157 PolarHBondContact OE1-NH1 3.42Å
137K73.6Confident65.6Low63 Ų6350 Ų5027%0.27426%0.257SS..Iπ-helixtrans-95-17.2-176.7-59.3-144-176.8175.50115.7Y133 L135 R157 H159Y133-K137 HydrophobicContact CD2-CD 4.4Å; Y133-K137 HydrophobicContact CE1-CD 4.01Å; Y133-K137 HydrophobicContact CE1-CG 4.38Å; Y133-K137 HydrophobicContact CE2-CD 3.82Å; Y133-K137 HydrophobicContact CE2-CG 4.41Å; Y133-K137 VanDerWaalsContact O-CB 3.28Å; Y133-K137 WeakPolarHBondContact O-CB 3.01Å; Y133-K137 WeakPolarHBondContact O-CG 3.18Å; Y133-K137 PolarHBondContact O-N 2.96Å; Y133-K137 PolarHBondContact OH-NZ 3.31Å; Y133-K137 VanDerWaalsContact OH-NZ 3.13Å; L135-K137 PolarHBondContact O-N 2.96Å; K137-R157 WeakPolarHBondContact CG-O 3.44Å; K137-H159 HydrophobicContact CB-CB 4.24Å; K137-H159 PolarHBondContact O-N 3.11Å
138Y68.9Low66.5Low44 Ų4445 Ų4517%0.17323%0.23CC..Iπ-helixtrans-125.2-55-177.4-62.5-104.5000112.5Y133 L134 C142 H159 I162Y133-Y138 HydrophobicContact CE1-CE2 4.31Å; L134-Y138 WeakPolarHBondContact O-CB 3.17Å; L134-Y138 PolarHBondContact O-N 2.76Å; Y138-C142 PolarHBondContact O-N 2.85Å; Y138-C142 PolarHBondContact O-SG 2.72Å; Y138-H159 HydrophobicContact CD1-CB 4.31Å; Y138-H159 HydrophobicContact CD2-CB 4.33Å; Y138-H159 HydrophobicContact CE1-CB 3.91Å; Y138-H159 AromaticContact CE1-CG 3.97Å; Y138-H159 HydrophobicContact CE2-CB 3.93Å; Y138-H159 AromaticContact CE2-CG 3.95Å; Y138-H159 AromaticContact CZ-CD2 3.85Å; Y138-H159 AromaticContact CZ-CG 3.47Å; Y138-H159 VanDerWaalsContact CZ-CG 3.47Å; Y138-H159 AromaticContact CZ-ND1 3.72Å; Y138-H159 PolarHBondContact OH-CD2 2.84Å; Y138-H159 PolarHBondContact OH-CE1 3.35Å; Y138-H159 VanDerWaalsContact OH-CE1 3.28Å; Y138-H159 VanDerWaalsContact OH-CG 3.29Å; Y138-H159 PolarHBondContact OH-ND1 3.02Å; Y138-H159 PolarHBondContact OH-NE2 2.8Å; Y138-I162 HydrophobicContact CD1-CD1 3.92Å; Y138-I162 HydrophobicContact CD1-CG1 4.12Å; Y138-I162 HydrophobicContact CG-CD1 4.43Å
139I68.3Low67.5Low17 Ų1748 Ų489%0.08724%0.239CC..Iπ-helixtrans-71.3-51.5-172.5-61.2169.3000111.3L134 L135 C142 R143 L252L134-I139 HydrophobicContact CD2-CD1 3.52Å; L134-I139 HydrophobicContact CD2-CG1 3.95Å; L134-I139 PolarHBondContact O-N 2.94Å; L135-I139 HydrophobicContact CD2-CB 4.28Å; L135-I139 HydrophobicContact CD2-CD1 3.67Å; L135-I139 HydrophobicContact CD2-CG2 4.34Å; L135-I139 HydrophobicContact CG-CD1 4.22Å; L135-I139 PolarHBondContact O-N 3.35Å; L135-I139 VanDerWaalsContact O-N 3.15Å; I139-C142 PolarHBondContact O-N 3.31Å; I139-R143 VanDerWaalsContact O-CB 3.24Å; I139-R143 WeakPolarHBondContact O-CB 3.33Å; I139-R143 PolarHBondContact O-N 3.35Å; I139-L252 HydrophobicContact CD1-CB 4.47Å; I139-L252 HydrophobicContact CD1-CD1 4.09Å; I139-L252 HydrophobicContact CD1-CD2 4.1Å; I139-L252 HydrophobicContact CD1-CG 4.47Å
140D71.8Confident68.3Low63 Ų6347.2 Ų47.234%0.33723%0.234SC..Hα-helixtrans-62.9-43-177.2-81.7-33.1000112.9L135 C142 R143 T144 V154L135-D140 PolarHBondContact O-N 3.06Å; D140-C142 PolarHBondContact O-N 2.79Å; D140-R143 CarbonylContact O-C 3.57Å; D140-R143 WeakPolarHBondContact O-CA 3.33Å; D140-R143 WeakPolarHBondContact O-CB 3.39Å; D140-R143 PolarHBondContact O-N 3.22Å; D140-R143 VanDerWaalsContact O-N 3.09Å; D140-T144 PolarHBondContact O-N 3.29Å; D140-T144 PolarHBondContact O-OG1 3.36Å; D140-T144 VanDerWaalsContact O-OG1 3.05Å; D140-V154 HydrophobicContact CB-CG1 3.96Å
141P75.7Confident69.4Low0 Ų050.4 Ų50.40%025%0.249CC..Hα-helixtrans-55-47.7170.3-29.936.5000114.1E136 R143 T144 I145 V154 M155 A158 I162E136-P141 WeakPolarHBondContact O-CD 3.48Å; P141-R143 VanDerWaalsContact C-N 3.29Å; P141-R143 PolarHBondContact O-N 3.01Å; P141-T144 VanDerWaalsContact C-OG1 3.32Å; P141-T144 VanDerWaalsContact CA-OG1 3.3Å; P141-T144 WeakPolarHBondContact CA-OG1 3.45Å; P141-T144 PolarHBondContact O-N 3.49Å; P141-T144 PolarHBondContact O-OG1 3.34Å; P141-I145 WeakPolarHBondContact O-CG1 3.4Å; P141-I145 PolarHBondContact O-N 2.68Å; P141-I145 VanDerWaalsContact O-N 3.11Å; P141-V154 HydrophobicContact CB-CG1 4.43Å; P141-V154 HydrophobicContact CG-CG1 3.96Å; P141-M155 HydrophobicContact CB-SD 4.12Å; P141-A158 HydrophobicContact CB-CB 3.75Å; P141-A158 HydrophobicContact CG-CB 3.58Å; P141-I162 HydrophobicContact CB-CG2 4.09Å
142C70.4Confident70.5Confident5 Ų555.2 Ų55.23%0.03427%0.271CS..Hα-helixtrans-64.7-36.4174.9-71.60000111.7Y138 I139 D140 T144 I145 V146 Y249Y138-C142 PolarHBondContact O-N 2.85Å; Y138-C142 PolarHBondContact O-SG 2.72Å; I139-C142 PolarHBondContact O-N 3.31Å; D140-C142 PolarHBondContact O-N 2.79Å; C142-T144 VanDerWaalsContact C-N 3.33Å; C142-T144 PolarHBondContact O-N 2.82Å; C142-I145 PolarHBondContact O-N 3.29Å; C142-V146 WeakPolarHBondContact O-CG2 3.2Å; C142-V146 PolarHBondContact O-N 2.91Å; C142-Y249 PolarHBondContact SG-OH 2.76Å
143R70.2Confident71.6Confident62 Ų6262.9 Ų62.923%0.23429%0.292CS..Hα-helixtrans-67.2-32.1177.4-159.9176.3-167.1-161.98.2112.1I139 D140 P141 K147I139-R143 VanDerWaalsContact O-CB 3.24Å; I139-R143 WeakPolarHBondContact O-CB 3.33Å; I139-R143 PolarHBondContact O-N 3.35Å; D140-R143 CarbonylContact O-C 3.57Å; D140-R143 WeakPolarHBondContact O-CA 3.33Å; D140-R143 WeakPolarHBondContact O-CB 3.39Å; D140-R143 PolarHBondContact O-N 3.22Å; D140-R143 VanDerWaalsContact O-N 3.09Å; P141-R143 VanDerWaalsContact C-N 3.29Å; P141-R143 PolarHBondContact O-N 3.01Å; R143-K147 HydrophobicContact CG-CD 4.26Å; R143-K147 WeakPolarHBondContact O-CB 3.38Å; R143-K147 WeakPolarHBondContact O-CD 3.39Å; R143-K147 WeakPolarHBondContact O-CG 3.42Å; R143-K147 PolarHBondContact O-N 2.93Å
144T73.5Confident72.4Confident20 Ų2058.8 Ų58.812%0.12328%0.278CS..Hα-helixtrans-69.4-41.9170.4340000112.4D140 P141 C142 K147 G148 K149 D151 V154D140-T144 PolarHBondContact O-N 3.29Å; D140-T144 PolarHBondContact O-OG1 3.36Å; D140-T144 VanDerWaalsContact O-OG1 3.05Å; P141-T144 VanDerWaalsContact C-OG1 3.32Å; P141-T144 VanDerWaalsContact CA-OG1 3.3Å; P141-T144 WeakPolarHBondContact CA-OG1 3.45Å; P141-T144 PolarHBondContact O-N 3.49Å; P141-T144 PolarHBondContact O-OG1 3.34Å; C142-T144 VanDerWaalsContact C-N 3.33Å; C142-T144 PolarHBondContact O-N 2.82Å; T144-K147 PolarHBondContact O-N 3.5Å; T144-G148 PolarHBondContact O-N 3.36Å; T144-G148 VanDerWaalsContact O-N 3.12Å; T144-K149 WeakPolarHBondContact CB-O 3.48Å; T144-K149 VanDerWaalsContact CG2-O 3.28Å; T144-K149 WeakPolarHBondContact CG2-O 3.49Å; T144-K149 CarbonylContact O-C 3.55Å; T144-K149 PolarHBondContact O-N 3Å; T144-D151 HydrophobicContact CG2-CB 4.14Å; T144-V154 HydrophobicContact CG2-CB 4.15Å; T144-V154 HydrophobicContact CG2-CG1 4.12Å; T144-V154 HydrophobicContact CG2-CG2 4.19Å
145I73.2Confident73.3Confident0 Ų057.6 Ų57.60%027%0.272CS..Hα-helixtrans-63-51.1175.2-61.6162.2000110.7P141 C142 K147 G148 M155 F166 I168 F176 I185P141-I145 WeakPolarHBondContact O-CG1 3.4Å; P141-I145 PolarHBondContact O-N 2.68Å; P141-I145 VanDerWaalsContact O-N 3.11Å; C142-I145 PolarHBondContact O-N 3.29Å; I145-K147 VanDerWaalsContact C-N 3.34Å; I145-K147 PolarHBondContact O-N 3.16Å; I145-G148 WeakPolarHBondContact O-CA 3.35Å; I145-G148 PolarHBondContact O-N 3.37Å; I145-M155 HydrophobicContact CD1-CE 4.33Å; I145-M155 HydrophobicContact CG1-SD 4.48Å; I145-F166 HydrophobicContact CD1-CD2 3.7Å; I145-F166 HydrophobicContact CD1-CE2 4.16Å; I145-F166 HydrophobicContact CD1-CG 4.17Å; I145-I168 HydrophobicContact CD1-CD1 3.58Å; I145-I168 HydrophobicContact CG1-CD1 4.1Å; I145-F176 HydrophobicContact CG2-CE1 4.28Å; I145-I185 HydrophobicContact CB-CD1 3.95Å; I145-I185 HydrophobicContact CG2-CD1 3.62Å
146V65.9Low74.1Confident36 Ų3659.2 Ų59.222%0.21828%0.284CS..Hα-helixtrans-59.8-42.4177.8173.30000111.6C142 G148 R182 I185 E257C142-V146 WeakPolarHBondContact O-CG2 3.2Å; C142-V146 PolarHBondContact O-N 2.91Å; V146-G148 PolarHBondContact O-N 3.29Å; V146-R182 VanDerWaalsContact O-CZ 3.31Å; V146-R182 PolarHBondContact O-NE 3.38Å; V146-R182 PolarHBondContact O-NH2 3.12Å; V146-I185 HydrophobicContact CG2-CB 4.45Å; V146-I185 HydrophobicContact CG2-CD1 3.64Å; V146-I185 HydrophobicContact CG2-CG2 3.85Å; V146-E257 HydrophobicContact CG1-CG 4.41Å
147K70.6Confident74.6Confident120 Ų12060.8 Ų60.852%0.52229%0.287SS..Hα-helixtrans-68-11.1175.5-75172.2-178.9170.90114R143 T144 I145 K149 R182R143-K147 HydrophobicContact CG-CD 4.26Å; R143-K147 WeakPolarHBondContact O-CB 3.38Å; R143-K147 WeakPolarHBondContact O-CD 3.39Å; R143-K147 WeakPolarHBondContact O-CG 3.42Å; R143-K147 PolarHBondContact O-N 2.93Å; T144-K147 PolarHBondContact O-N 3.5Å; I145-K147 VanDerWaalsContact C-N 3.34Å; I145-K147 PolarHBondContact O-N 3.16Å; K147-K149 VanDerWaalsContact C-N 3.3Å; K147-R182 VanDerWaalsContact C-NH2 3.28Å; K147-R182 PolarHBondContact O-NH2 3.46Å
148G66.8Low74.8Confident28 Ų2858.3 Ų58.329%0.28928%0.278SS..THydrogen-bonded Turntrans64.735.8-176.900000112.8T144 I145 V146 V178T144-G148 PolarHBondContact O-N 3.36Å; T144-G148 VanDerWaalsContact O-N 3.12Å; I145-G148 WeakPolarHBondContact O-CA 3.35Å; I145-G148 PolarHBondContact O-N 3.37Å; V146-G148 PolarHBondContact O-N 3.29Å; G148-V178 VanDerWaalsContact CA-CG1 3.41Å
149K71.5Confident75.2Confident160 Ų16058.1 Ų58.170%0.69628%0.278SS*.  trans-140.787.1176.2-63.1-163.8179.1-156.40107.6T144 K147 D151T144-K149 WeakPolarHBondContact CB-O 3.48Å; T144-K149 VanDerWaalsContact CG2-O 3.28Å; T144-K149 WeakPolarHBondContact CG2-O 3.49Å; T144-K149 CarbonylContact O-C 3.55Å; T144-K149 PolarHBondContact O-N 3Å; K147-K149 VanDerWaalsContact C-N 3.3Å; K149-D151 PolarHBondContact O-N 2.83Å; K149-D151 VanDerWaalsContact O-N 3.12Å
150L74.1Confident75.4Confident39 Ų3961.5 Ų61.520%0.20430%0.302CS..  trans-68.4107.6171.6-7778.7000107.3M155 I168 L173 F176 V178L150-M155 HydrophobicContact CB-CG 4.31Å; L150-M155 HydrophobicContact CD2-CG 4.42Å; L150-M155 HydrophobicContact CG-CG 4.43Å; L150-I168 HydrophobicContact CD2-CD1 4.36Å; L150-L173 HydrophobicContact CB-CD2 4.09Å; L150-L173 HydrophobicContact CB-CG 4.21Å; L150-L173 HydrophobicContact CD2-CD1 3.96Å; L150-L173 HydrophobicContact CD2-CG 3.89Å; L150-F176 HydrophobicContact CD1-CD1 3.94Å; L150-F176 HydrophobicContact CD1-CE1 4.39Å; L150-F176 HydrophobicContact CD2-CB 4.31Å; L150-F176 HydrophobicContact CD2-CD1 3.71Å; L150-F176 HydrophobicContact CD2-CE1 4.39Å; L150-F176 HydrophobicContact CD2-CG 4.22Å; L150-F176 HydrophobicContact CG-CD1 4.5Å; L150-V178 HydrophobicContact CD1-CG2 3.88Å
151D78.1Confident75.3Confident76 Ų7663.7 Ų63.741%0.40631%0.313SS..  trans-88.2113.7168.7-179.5-14.8000106.7T144 K149 R153 V154 M155T144-D151 HydrophobicContact CG2-CB 4.14Å; K149-D151 PolarHBondContact O-N 2.83Å; K149-D151 VanDerWaalsContact O-N 3.12Å; D151-R153 PolarHBondContact O-N 3.15Å; D151-R153 VanDerWaalsContact O-N 3.13Å; D151-R153 VanDerWaalsContact OD1-CB 3.25Å; D151-R153 WeakPolarHBondContact OD1-CB 3.38Å; D151-R153 PolarHBondContact OD1-N 2.71Å; D151-V154 HydrophobicContact CB-CB 4.21Å; D151-V154 HydrophobicContact CB-CG2 3.89Å; D151-V154 WeakPolarHBondContact O-CA 3.46Å; D151-V154 WeakPolarHBondContact O-CB 3.22Å; D151-V154 PolarHBondContact O-N 3.34Å; D151-M155 WeakPolarHBondContact O-CG 3.48Å; D151-M155 PolarHBondContact O-N 3.44Å
152E80.3Confident75.1Confident131 Ų13164.1 Ų64.161%0.61232%0.315SS*.Hα-helixtrans-46-42175.8-173-15817200111.4V154 M155 V156 L173E152-V154 PolarHBondContact O-N 3.34Å; E152-M155 PolarHBondContact O-N 3.4Å; E152-V156 HydrophobicContact CG-CG2 4.15Å; E152-V156 WeakPolarHBondContact O-CB 3.49Å; E152-V156 VanDerWaalsContact O-CG2 3.28Å; E152-V156 WeakPolarHBondContact O-CG2 3.5Å; E152-V156 PolarHBondContact O-N 3.13Å; E152-L173 HydrophobicContact CB-CD2 4.08Å
153R84.4Confident75.4Confident186 Ų18665.2 Ų65.270%0.70232%0.32SS*.Hα-helixtrans-67.7-19.8-178.7-56.2178.3172.8-161.4-3.7112.8D151 R157D151-R153 PolarHBondContact O-N 3.15Å; D151-R153 VanDerWaalsContact O-N 3.13Å; D151-R153 VanDerWaalsContact OD1-CB 3.25Å; D151-R153 WeakPolarHBondContact OD1-CB 3.38Å; D151-R153 PolarHBondContact OD1-N 2.71Å; R153-R157 PolarHBondContact O-NE 2.96Å; R153-R157 PolarHBondContact O-NH2 2.79Å
154V82Confident75.6Confident22 Ų2268.2 Ų68.213%0.13334%0.341CS..Hα-helixtrans-90.2-44.3172.6179.30000109.7D140 P141 T144 D151 E152 V156 R157 A158D140-V154 HydrophobicContact CB-CG1 3.96Å; P141-V154 HydrophobicContact CB-CG1 4.43Å; P141-V154 HydrophobicContact CG-CG1 3.96Å; T144-V154 HydrophobicContact CG2-CB 4.15Å; T144-V154 HydrophobicContact CG2-CG1 4.12Å; T144-V154 HydrophobicContact CG2-CG2 4.19Å; D151-V154 HydrophobicContact CB-CB 4.21Å; D151-V154 HydrophobicContact CB-CG2 3.89Å; D151-V154 WeakPolarHBondContact O-CA 3.46Å; D151-V154 WeakPolarHBondContact O-CB 3.22Å; D151-V154 PolarHBondContact O-N 3.34Å; E152-V154 PolarHBondContact O-N 3.34Å; V154-V156 PolarHBondContact O-N 3.35Å; V154-R157 PolarHBondContact O-N 3.22Å; V154-A158 PolarHBondContact O-N 3.45Å
155M82Confident75.4Confident0 Ų070.4 Ų70.40%036%0.361CS..Hα-helixtrans-65.8-37.3-177.7-62.7-52.7-55.300113P141 I145 L150 D151 E152 R157 A158 L163 I168 L170 L173P141-M155 HydrophobicContact CB-SD 4.12Å; I145-M155 HydrophobicContact CD1-CE 4.33Å; I145-M155 HydrophobicContact CG1-SD 4.48Å; L150-M155 HydrophobicContact CB-CG 4.31Å; L150-M155 HydrophobicContact CD2-CG 4.42Å; L150-M155 HydrophobicContact CG-CG 4.43Å; D151-M155 WeakPolarHBondContact O-CG 3.48Å; D151-M155 PolarHBondContact O-N 3.44Å; E152-M155 PolarHBondContact O-N 3.4Å; M155-R157 PolarHBondContact O-N 3.42Å; M155-A158 HydrophobicContact CE-CB 4.5Å; M155-A158 WeakPolarHBondContact O-CB 3.4Å; M155-A158 PolarHBondContact O-N 3.02Å; M155-L163 HydrophobicContact CE-CD2 3.71Å; M155-I168 HydrophobicContact CE-CD1 3.64Å; M155-I168 HydrophobicContact CE-CG2 4.22Å; M155-L170 HydrophobicContact CB-CD2 4.02Å; M155-L173 HydrophobicContact CB-CD1 4.02Å; M155-L173 HydrophobicContact CB-CD2 4.3Å; M155-L173 HydrophobicContact CG-CD1 4.13Å; M155-L173 HydrophobicContact CG-CD2 4.24Å
156V83.2Confident75.3Confident89 Ų8971.2 Ų71.254%0.53937%0.365SS..THydrogen-bonded Turntrans-62.6-21.7173169.40000112.7E152 V154 L170E152-V156 HydrophobicContact CG-CG2 4.15Å; E152-V156 WeakPolarHBondContact O-CB 3.49Å; E152-V156 VanDerWaalsContact O-CG2 3.28Å; E152-V156 WeakPolarHBondContact O-CG2 3.5Å; E152-V156 PolarHBondContact O-N 3.13Å; V154-V156 PolarHBondContact O-N 3.35Å; V156-L170 HydrophobicContact CG2-CD2 4.16Å
157R82.4Confident75.9Confident115 Ų11577.3 Ų77.343%0.43439%0.389SS..THydrogen-bonded Turntrans-94.9-5.4174.4-77.3179.2-75.5168.3-1.6113.8E136 K137 R153 V154 M155E136-R157 HydrophobicContact CG-CB 4.41Å; E136-R157 VanDerWaalsContact OE1-CD 3.32Å; E136-R157 WeakPolarHBondContact OE1-CD 3.32Å; E136-R157 IonicContact OE1-CZ 3.95Å; E136-R157 IonicContact OE1-NE 2.85Å; E136-R157 IonicContact OE1-NH1 3.2Å; E136-R157 PolarHBondContact OE1-NH1 3.42Å; K137-R157 WeakPolarHBondContact CG-O 3.44Å; R153-R157 PolarHBondContact O-NE 2.96Å; R153-R157 PolarHBondContact O-NH2 2.79Å; V154-R157 PolarHBondContact O-N 3.22Å; M155-R157 PolarHBondContact O-N 3.42Å
158A78.8Confident76Confident11 Ų1172 Ų729%0.09137%0.366CS..SBendtrans-61.9150-179.200000112.2P141 V154 M155 I162 L163P141-A158 HydrophobicContact CB-CB 3.75Å; P141-A158 HydrophobicContact CG-CB 3.58Å; V154-A158 PolarHBondContact O-N 3.45Å; M155-A158 HydrophobicContact CE-CB 4.5Å; M155-A158 WeakPolarHBondContact O-CB 3.4Å; M155-A158 PolarHBondContact O-N 3.02Å; A158-I162 HydrophobicContact CB-CB 4.4Å; A158-I162 HydrophobicContact CB-CG2 4.44Å; A158-L163 HydrophobicContact CB-CD2 4.15Å; A158-L163 HydrophobicContact CB-CG 4.2Å
159H75.7Confident76.6Confident40 Ų4076.7 Ų76.719%0.18538%0.38CS..  trans-67.3140.5171.3-160.1-103.9000110K137 Y138 L161 I162 L163K137-H159 HydrophobicContact CB-CB 4.24Å; K137-H159 PolarHBondContact O-N 3.11Å; Y138-H159 HydrophobicContact CD1-CB 4.31Å; Y138-H159 HydrophobicContact CD2-CB 4.33Å; Y138-H159 HydrophobicContact CE1-CB 3.91Å; Y138-H159 AromaticContact CE1-CG 3.97Å; Y138-H159 HydrophobicContact CE2-CB 3.93Å; Y138-H159 AromaticContact CE2-CG 3.95Å; Y138-H159 AromaticContact CZ-CD2 3.85Å; Y138-H159 AromaticContact CZ-CG 3.47Å; Y138-H159 VanDerWaalsContact CZ-CG 3.47Å; Y138-H159 AromaticContact CZ-ND1 3.72Å; Y138-H159 PolarHBondContact OH-CD2 2.84Å; Y138-H159 PolarHBondContact OH-CE1 3.35Å; Y138-H159 VanDerWaalsContact OH-CE1 3.28Å; Y138-H159 VanDerWaalsContact OH-CG 3.29Å; Y138-H159 PolarHBondContact OH-ND1 3.02Å; Y138-H159 PolarHBondContact OH-NE2 2.8Å; H159-L161 PolarHBondContact O-N 2.96Å; H159-I162 HydrophobicContact CB-CG1 4.2Å; H159-I162 VanDerWaalsContact O-CB 3.31Å; H159-I162 WeakPolarHBondContact O-CB 3.49Å; H159-I162 PolarHBondContact O-N 3.1Å; H159-L163 PolarHBondContact O-N 3.15Å
160P73.4Confident76.7Confident89 Ų8972.7 Ų72.758%0.57837%0.366SS*.Hα-helixtrans-53.3-33.3179.8-30.536.7000114.2I162 L163 D164P160-I162 VanDerWaalsContact C-N 3.26Å; P160-I162 PolarHBondContact O-N 3.13Å; P160-L163 PolarHBondContact O-N 3.29Å; P160-D164 WeakPolarHBondContact O-CB 3.4Å; P160-D164 PolarHBondContact O-N 2.76Å
161L69Low76.9Confident109 Ų10979.9 Ų79.957%0.57140%0.399SS*.Hα-helixtrans-60.3-29.5174-64.8174000114H159 A165H159-L161 PolarHBondContact O-N 2.96Å; L161-A165 WeakPolarHBondContact O-CB 3.34Å; L161-A165 PolarHBondContact O-N 2.92Å; L161-A165 VanDerWaalsContact O-N 3.07Å
162I72.6Confident76.8Confident9 Ų980.5 Ų80.55%0.04640%0.397CS..Hα-helixtrans-72.6-48.2175-59.6-79.3000109.3Y138 P141 A158 H159 P160 D164 A165 F166Y138-I162 HydrophobicContact CD1-CD1 3.92Å; Y138-I162 HydrophobicContact CD1-CG1 4.12Å; Y138-I162 HydrophobicContact CG-CD1 4.43Å; P141-I162 HydrophobicContact CB-CG2 4.09Å; A158-I162 HydrophobicContact CB-CB 4.4Å; A158-I162 HydrophobicContact CB-CG2 4.44Å; H159-I162 HydrophobicContact CB-CG1 4.2Å; H159-I162 VanDerWaalsContact O-CB 3.31Å; H159-I162 WeakPolarHBondContact O-CB 3.49Å; H159-I162 PolarHBondContact O-N 3.1Å; P160-I162 VanDerWaalsContact C-N 3.26Å; P160-I162 PolarHBondContact O-N 3.13Å; I162-D164 PolarHBondContact O-N 3.49Å; I162-A165 PolarHBondContact O-N 3.26Å; I162-F166 HydrophobicContact CG2-CD2 3.94Å; I162-F166 HydrophobicContact CG2-CE2 4.13Å; I162-F166 WeakPolarHBondContact O-CD2 3.46Å; I162-F166 PolarHBondContact O-N 3.41Å; I162-F166 VanDerWaalsContact O-N 3.14Å
163L76.3Confident76.5Confident28 Ų2875.3 Ų75.315%0.14737%0.374CS..Hα-helixtrans-60.6-46.7-179.7-62174.5000110.7M155 A158 H159 P160 K167 I168 L170M155-L163 HydrophobicContact CE-CD2 3.71Å; A158-L163 HydrophobicContact CB-CD2 4.15Å; A158-L163 HydrophobicContact CB-CG 4.2Å; H159-L163 PolarHBondContact O-N 3.15Å; P160-L163 PolarHBondContact O-N 3.29Å; L163-K167 CarbonylContact O-C 3.52Å; L163-K167 WeakPolarHBondContact O-CA 3.36Å; L163-K167 PolarHBondContact O-N 3.22Å; L163-I168 HydrophobicContact CD2-CB 4.1Å; L163-I168 HydrophobicContact CD2-CG2 4.06Å; L163-I168 PolarHBondContact O-N 2.97Å; L163-L170 HydrophobicContact CD1-CD1 3.96Å; L163-L170 HydrophobicContact CD1-CD2 4.45Å; L163-L170 HydrophobicContact CD1-CG 4.13Å; L163-L170 HydrophobicContact CD2-CD2 4.19Å; L163-L170 HydrophobicContact CD2-CG 4.45Å
164D74.3Confident75.9Confident124 Ų12474.6 Ų74.666%0.66338%0.384SS*.Hα-helixtrans-64.5-49.2177.4-17240.7000112.3P160 I162 F166 K167P160-D164 WeakPolarHBondContact O-CB 3.4Å; P160-D164 PolarHBondContact O-N 2.76Å; I162-D164 PolarHBondContact O-N 3.49Å; D164-F166 PolarHBondContact O-N 3.39Å; D164-K167 PolarHBondContact O-N 2.81Å
165A69Low75.5Confident67 Ų6780 Ų8055%0.55441%0.408SS*.Hα-helixtrans-60.3-30.7-179.900000114L161 I162L161-A165 WeakPolarHBondContact O-CB 3.34Å; L161-A165 PolarHBondContact O-N 2.92Å; L161-A165 VanDerWaalsContact O-N 3.07Å; I162-A165 PolarHBondContact O-N 3.26Å
166F71.6Confident75.1Confident16 Ų1681.3 Ų81.37%0.0741%0.414CS..Hα-helixtrans-96.2-6.8174.7-63.4-61.2000114.1I145 I162 D164 I168 F176 K184 I185I145-F166 HydrophobicContact CD1-CD2 3.7Å; I145-F166 HydrophobicContact CD1-CE2 4.16Å; I145-F166 HydrophobicContact CD1-CG 4.17Å; I162-F166 HydrophobicContact CG2-CD2 3.94Å; I162-F166 HydrophobicContact CG2-CE2 4.13Å; I162-F166 WeakPolarHBondContact O-CD2 3.46Å; I162-F166 PolarHBondContact O-N 3.41Å; I162-F166 VanDerWaalsContact O-N 3.14Å; D164-F166 PolarHBondContact O-N 3.39Å; F166-I168 VanDerWaalsContact C-N 3.32Å; F166-I168 HydrophobicContact CB-CD1 3.7Å; F166-I168 HydrophobicContact CB-CG1 3.79Å; F166-I168 HydrophobicContact CG-CD1 4.5Å; F166-F176 HydrophobicContact CB-CZ 4.35Å; F166-F176 WeakPolarHBondContact O-CE2 3.21Å; F166-K184 HydrophobicContact CD1-CB 4.13Å; F166-K184 HydrophobicContact CD1-CD 4.27Å; F166-K184 HydrophobicContact CE1-CB 4.04Å; F166-I185 HydrophobicContact CD1-CG1 4.4Å; F166-I185 HydrophobicContact CE1-CD1 4.15Å; F166-I185 HydrophobicContact CE1-CG1 3.39Å; F166-I185 HydrophobicContact CE2-CG1 4.42Å; F166-I185 HydrophobicContact CZ-CD1 3.94Å; F166-I185 HydrophobicContact CZ-CG1 3.42Å; F166-I185 VanDerWaalsContact CZ-CG1 3.42Å
167K78.1Confident74.7Confident165 Ų16581.3 Ų81.372%0.71741%0.41SS*.THydrogen-bonded Turntrans60.633.1-171.1-54.9-177.5177.1-1780114.2L163 D164 Q169L163-K167 CarbonylContact O-C 3.52Å; L163-K167 WeakPolarHBondContact O-CA 3.36Å; L163-K167 PolarHBondContact O-N 3.22Å; D164-K167 PolarHBondContact O-N 2.81Å; K167-Q169 PolarHBondContact O-N 3.07Å
168I73.2Confident74.4Confident9 Ų977.9 Ų77.95%0.04640%0.402CS..  trans-82.4108.6179.9-61.1169.9000109.5I145 L150 M155 L163 F166 L173 F176I145-I168 HydrophobicContact CD1-CD1 3.58Å; I145-I168 HydrophobicContact CG1-CD1 4.1Å; L150-I168 HydrophobicContact CD2-CD1 4.36Å; M155-I168 HydrophobicContact CE-CD1 3.64Å; M155-I168 HydrophobicContact CE-CG2 4.22Å; L163-I168 HydrophobicContact CD2-CB 4.1Å; L163-I168 HydrophobicContact CD2-CG2 4.06Å; L163-I168 PolarHBondContact O-N 2.97Å; F166-I168 VanDerWaalsContact C-N 3.32Å; F166-I168 HydrophobicContact CB-CD1 3.7Å; F166-I168 HydrophobicContact CB-CG1 3.79Å; F166-I168 HydrophobicContact CG-CD1 4.5Å; I168-L173 HydrophobicContact CG2-CD1 3.61Å; I168-F176 HydrophobicContact CD1-CD2 4.49Å; I168-F176 HydrophobicContact CD1-CE1 4.15Å; I168-F176 HydrophobicContact CD1-CE2 4.13Å; I168-F176 HydrophobicContact CD1-CZ 3.93Å; I168-F176 HydrophobicContact CG1-CD1 4.45Å; I168-F176 HydrophobicContact CG1-CD2 3.64Å; I168-F176 HydrophobicContact CG1-CE1 4.29Å; I168-F176 HydrophobicContact CG1-CE2 3.46Å; I168-F176 VanDerWaalsContact CG1-CE2 3.46Å; I168-F176 HydrophobicContact CG1-CG 4.13Å; I168-F176 HydrophobicContact CG1-CZ 3.8Å
169Q77.9Confident74.1Confident125 Ų12583 Ų8358%0.58443%0.428SS*.  trans-84122.9166.3-66.1179.4-3.600108.7K167 E171 K172 L173K167-Q169 PolarHBondContact O-N 3.07Å; Q169-E171 PolarHBondContact O-N 3.41Å; Q169-K172 HydrophobicContact CB-CB 4.32Å; Q169-K172 CarbonylContact O-C 3.53Å; Q169-K172 PolarHBondContact O-N 3.48Å; Q169-L173 PolarHBondContact O-N 2.89Å
170L75.1Confident74.1Confident76 Ų7685.5 Ų85.540%0.39844%0.439SS..G310 helixtrans-59.9-34.3-176.6-73.7166.5000112.7M155 V156 L163 K172 L173M155-L170 HydrophobicContact CB-CD2 4.02Å; V156-L170 HydrophobicContact CG2-CD2 4.16Å; L163-L170 HydrophobicContact CD1-CD1 3.96Å; L163-L170 HydrophobicContact CD1-CD2 4.45Å; L163-L170 HydrophobicContact CD1-CG 4.13Å; L163-L170 HydrophobicContact CD2-CD2 4.19Å; L163-L170 HydrophobicContact CD2-CG 4.45Å; L170-K172 PolarHBondContact O-N 3.21Å; L170-L173 HydrophobicContact CD2-CD1 4.39Å
171E77.2Confident73.9Confident191 Ų19181.2 Ų81.289%0.89341%0.412SS*.G310 helixtrans-68.5-15.2177.4-64.4166.1-165.700113.8Q169Q169-E171 PolarHBondContact O-N 3.41Å
172K76.9Confident73.9Confident88 Ų8881.2 Ų81.238%0.38340%0.404SS..G310 helixtrans-128.134.9-174.9-76.1171.3161.9-750111.5Q169 L170 D174 E175Q169-K172 HydrophobicContact CB-CB 4.32Å; Q169-K172 CarbonylContact O-C 3.53Å; Q169-K172 PolarHBondContact O-N 3.48Å; L170-K172 PolarHBondContact O-N 3.21Å; K172-D174 PolarHBondContact O-N 2.88Å; K172-E175 HydrophobicContact CB-CB 4.29Å; K172-E175 HydrophobicContact CB-CG 4.38Å; K172-E175 WeakPolarHBondContact CD-OE2 3.28Å; K172-E175 IonicContact NZ-OE1 3.56Å; K172-E175 PolarHBondContact NZ-OE1 3.46Å; K172-E175 IonicContact NZ-OE2 2.75Å; K172-E175 PolarHBondContact NZ-OE2 3.32Å; K172-E175 PolarHBondContact O-N 3.13Å
173L73.3Confident73.8Confident23 Ų2385.8 Ų85.812%0.1243%0.425CS..G310 helixtrans-58.5-32.6-175.6-146.175.7000113.1L150 E152 M155 I168 Q169 L170 F176L150-L173 HydrophobicContact CB-CD2 4.09Å; L150-L173 HydrophobicContact CB-CG 4.21Å; L150-L173 HydrophobicContact CD2-CD1 3.96Å; L150-L173 HydrophobicContact CD2-CG 3.89Å; E152-L173 HydrophobicContact CB-CD2 4.08Å; M155-L173 HydrophobicContact CB-CD1 4.02Å; M155-L173 HydrophobicContact CB-CD2 4.3Å; M155-L173 HydrophobicContact CG-CD1 4.13Å; M155-L173 HydrophobicContact CG-CD2 4.24Å; I168-L173 HydrophobicContact CG2-CD1 3.61Å; Q169-L173 PolarHBondContact O-N 2.89Å; L170-L173 HydrophobicContact CD2-CD1 4.39Å; L173-F176 WeakPolarHBondContact O-CB 3.26Å
174D71.4Confident73.5Confident170 Ų17086.5 Ų86.591%0.90943%0.427SS*.G310 helixtrans-78.4-18.7178.2-63.7-35.7000113.8K172 F176K172-D174 PolarHBondContact O-N 2.88Å; D174-F176 VanDerWaalsContact C-N 3.32Å
175E74.5Confident73Confident136 Ų13681.1 Ų81.164%0.63640%0.398SS*.G310 helixtrans-84.4-7.8174.4-63.9-179.9-165.100112.5K172 D177K172-E175 HydrophobicContact CB-CB 4.29Å; K172-E175 HydrophobicContact CB-CG 4.38Å; K172-E175 WeakPolarHBondContact CD-OE2 3.28Å; K172-E175 IonicContact NZ-OE1 3.56Å; K172-E175 PolarHBondContact NZ-OE1 3.46Å; K172-E175 IonicContact NZ-OE2 2.75Å; K172-E175 PolarHBondContact NZ-OE2 3.32Å; K172-E175 PolarHBondContact O-N 3.13Å; E175-D177 PolarHBondContact O-N 2.88Å
176F73.4Confident72.7Confident28 Ų2885.8 Ų85.812%0.12340%0.401CS..  trans-71.7120.5-173.6-179.5-107.7000112.2I145 L150 F166 I168 L173 D174 V178I145-F176 HydrophobicContact CG2-CE1 4.28Å; L150-F176 HydrophobicContact CD1-CD1 3.94Å; L150-F176 HydrophobicContact CD1-CE1 4.39Å; L150-F176 HydrophobicContact CD2-CB 4.31Å; L150-F176 HydrophobicContact CD2-CD1 3.71Å; L150-F176 HydrophobicContact CD2-CE1 4.39Å; L150-F176 HydrophobicContact CD2-CG 4.22Å; L150-F176 HydrophobicContact CG-CD1 4.5Å; F166-F176 HydrophobicContact CB-CZ 4.35Å; F166-F176 WeakPolarHBondContact O-CE2 3.21Å; I168-F176 HydrophobicContact CD1-CD2 4.49Å; I168-F176 HydrophobicContact CD1-CE1 4.15Å; I168-F176 HydrophobicContact CD1-CE2 4.13Å; I168-F176 HydrophobicContact CD1-CZ 3.93Å; I168-F176 HydrophobicContact CG1-CD1 4.45Å; I168-F176 HydrophobicContact CG1-CD2 3.64Å; I168-F176 HydrophobicContact CG1-CE1 4.29Å; I168-F176 HydrophobicContact CG1-CE2 3.46Å; I168-F176 VanDerWaalsContact CG1-CE2 3.46Å; I168-F176 HydrophobicContact CG1-CG 4.13Å; I168-F176 HydrophobicContact CG1-CZ 3.8Å; L173-F176 WeakPolarHBondContact O-CB 3.26Å; D174-F176 VanDerWaalsContact C-N 3.32Å; F176-V178 HydrophobicContact CD1-CG2 4.47Å; F176-V178 PolarHBondContact O-N 2.97Å
177D75.8Confident72.3Confident88 Ų8889.3 Ų89.347%0.47142%0.421SS..  trans-67.395.1172.1-174-3.8000110.9E175 L179 E180 G181E175-D177 PolarHBondContact O-N 2.88Å; D177-L179 PolarHBondContact O-N 3.46Å; D177-L179 VanDerWaalsContact OD1-CA 3.31Å; D177-L179 WeakPolarHBondContact OD1-CA 3.32Å; D177-L179 WeakPolarHBondContact OD1-CB 3.28Å; D177-L179 PolarHBondContact OD1-N 3.22Å; D177-E180 HydrophobicContact CB-CB 3.92Å; D177-E180 PolarHBondContact O-N 3.15Å; D177-E180 VanDerWaalsContact O-N 3.15Å; D177-E180 PolarHBondContact OD1-N 3.19Å; D177-E180 VanDerWaalsContact OD1-N 3.17Å; D177-G181 PolarHBondContact O-N 3.09Å
178V74.2Confident71.4Confident43 Ų4385.7 Ų85.726%0.26142%0.416SS..Hα-helixtrans-53.7-31.4173.4176.70000112.3G148 L150 F176 R182G148-V178 VanDerWaalsContact CA-CG1 3.41Å; L150-V178 HydrophobicContact CD1-CG2 3.88Å; F176-V178 HydrophobicContact CD1-CG2 4.47Å; F176-V178 PolarHBondContact O-N 2.97Å; V178-R182 WeakPolarHBondContact O-CB 3.47Å; V178-R182 WeakPolarHBondContact O-CD 3.29Å; V178-R182 VanDerWaalsContact O-CG 3.24Å; V178-R182 WeakPolarHBondContact O-CG 3.2Å; V178-R182 PolarHBondContact O-N 3.39Å
179L73.3Confident70.3Confident120 Ų12086.4 Ų86.463%0.62842%0.419SS*.Hα-helixtrans-74-46.4178.2-117.4164.6000110.5D177 G181 R182 Q183D177-L179 PolarHBondContact O-N 3.46Å; D177-L179 VanDerWaalsContact OD1-CA 3.31Å; D177-L179 WeakPolarHBondContact OD1-CA 3.32Å; D177-L179 WeakPolarHBondContact OD1-CB 3.28Å; D177-L179 PolarHBondContact OD1-N 3.22Å; L179-G181 VanDerWaalsContact C-N 3.35Å; L179-G181 PolarHBondContact O-N 2.99Å; L179-R182 PolarHBondContact O-N 3.48Å; L179-Q183 WeakPolarHBondContact O-CB 3.26Å; L179-Q183 PolarHBondContact O-N 3.28Å
180E76.1Confident68.6Low91 Ų9186.5 Ų86.543%0.42542%0.418SS..Hα-helixtrans-61.8-41.5172.3-159-146179.700111.7D177 Q183 K184D177-E180 HydrophobicContact CB-CB 3.92Å; D177-E180 PolarHBondContact O-N 3.15Å; D177-E180 VanDerWaalsContact O-N 3.15Å; D177-E180 PolarHBondContact OD1-N 3.19Å; D177-E180 VanDerWaalsContact OD1-N 3.17Å; E180-Q183 WeakPolarHBondContact O-CB 3.28Å; E180-Q183 PolarHBondContact O-N 3.04Å; E180-K184 WeakPolarHBondContact O-CG 3.19Å; E180-K184 PolarHBondContact O-N 3.07Å; E180-K184 WeakPolarHBondContact OE1-CE 3.46Å; E180-K184 IonicContact OE1-NZ 3.66Å; E180-K184 PolarHBondContact OE1-NZ 3.47Å; E180-K184 IonicContact OE2-NZ 2.71Å; E180-K184 PolarHBondContact OE2-NZ 3.05Å
181G69.9Low67.1Low0 Ų087 Ų870%042%0.424CS..Hα-helixtrans-58.8-47.1174.800000112.9D177 L179 K184 I185D177-G181 PolarHBondContact O-N 3.09Å; L179-G181 VanDerWaalsContact C-N 3.35Å; L179-G181 PolarHBondContact O-N 2.99Å; G181-K184 PolarHBondContact O-N 3.41Å; G181-I185 WeakPolarHBondContact O-CG1 3.33Å; G181-I185 PolarHBondContact O-N 3.25Å; G181-I185 VanDerWaalsContact O-N 3.1Å
182R69Low65.4Low109 Ų10979.2 Ų79.241%0.41139%0.39SS..Hα-helixtrans-61-43.2172.1-79.9169.5159.7177.8-6.2112.1V146 K147 V178 L179 K184 I185 R186V146-R182 VanDerWaalsContact O-CZ 3.31Å; V146-R182 PolarHBondContact O-NE 3.38Å; V146-R182 PolarHBondContact O-NH2 3.12Å; K147-R182 VanDerWaalsContact C-NH2 3.28Å; K147-R182 PolarHBondContact O-NH2 3.46Å; V178-R182 WeakPolarHBondContact O-CB 3.47Å; V178-R182 WeakPolarHBondContact O-CD 3.29Å; V178-R182 VanDerWaalsContact O-CG 3.24Å; V178-R182 WeakPolarHBondContact O-CG 3.2Å; V178-R182 PolarHBondContact O-N 3.39Å; L179-R182 PolarHBondContact O-N 3.48Å; R182-K184 PolarHBondContact O-N 2.8Å; R182-I185 PolarHBondContact O-N 3.49Å; R182-R186 VanDerWaalsContact O-CB 3.31Å; R182-R186 WeakPolarHBondContact O-CB 3.36Å; R182-R186 PolarHBondContact O-N 3.18Å
183Q69.7Low63.3Low104 Ų10479.3 Ų79.349%0.48640%0.395SS..Hα-helixtrans-60.9-44.1178.9-158.884.4-2700111L179 E180 R186 N187L179-Q183 WeakPolarHBondContact O-CB 3.26Å; L179-Q183 PolarHBondContact O-N 3.28Å; E180-Q183 WeakPolarHBondContact O-CB 3.28Å; E180-Q183 PolarHBondContact O-N 3.04Å; Q183-R186 PolarHBondContact O-N 2.95Å; Q183-N187 WeakPolarHBondContact O-CB 3.35Å; Q183-N187 PolarHBondContact O-N 3.45Å; Q183-N187 PolarHBondContact O-OD1 3.1Å
184K69Low61.5Low44 Ų4483 Ų8319%0.19141%0.414CS..Hα-helixtrans-60.1-50174.8-75167.3178.31570112.1F166 E180 G181 R182 R186 N187 C188F166-K184 HydrophobicContact CD1-CB 4.13Å; F166-K184 HydrophobicContact CD1-CD 4.27Å; F166-K184 HydrophobicContact CE1-CB 4.04Å; E180-K184 WeakPolarHBondContact O-CG 3.19Å; E180-K184 PolarHBondContact O-N 3.07Å; E180-K184 WeakPolarHBondContact OE1-CE 3.46Å; E180-K184 IonicContact OE1-NZ 3.66Å; E180-K184 PolarHBondContact OE1-NZ 3.47Å; E180-K184 IonicContact OE2-NZ 2.71Å; E180-K184 PolarHBondContact OE2-NZ 3.05Å; G181-K184 PolarHBondContact O-N 3.41Å; R182-K184 PolarHBondContact O-N 2.8Å; K184-R186 VanDerWaalsContact C-N 3.34Å; K184-R186 PolarHBondContact O-N 2.72Å; K184-N187 PolarHBondContact O-N 3Å; K184-C188 PolarHBondContact O-N 3.22Å; K184-C188 PolarHBondContact O-SG 3.31Å
185I64.5Low60Low10 Ų1081 Ų815%0.05140%0.403CS..Hα-helixtrans-59-47.2177.2-66.2176.9000110.5I145 V146 F166 G181 R182 N187 C188 L189I145-I185 HydrophobicContact CB-CD1 3.95Å; I145-I185 HydrophobicContact CG2-CD1 3.62Å; V146-I185 HydrophobicContact CG2-CB 4.45Å; V146-I185 HydrophobicContact CG2-CD1 3.64Å; V146-I185 HydrophobicContact CG2-CG2 3.85Å; F166-I185 HydrophobicContact CD1-CG1 4.4Å; F166-I185 HydrophobicContact CE1-CD1 4.15Å; F166-I185 HydrophobicContact CE1-CG1 3.39Å; F166-I185 HydrophobicContact CE2-CG1 4.42Å; F166-I185 HydrophobicContact CZ-CD1 3.94Å; F166-I185 HydrophobicContact CZ-CG1 3.42Å; F166-I185 VanDerWaalsContact CZ-CG1 3.42Å; G181-I185 WeakPolarHBondContact O-CG1 3.33Å; G181-I185 PolarHBondContact O-N 3.25Å; G181-I185 VanDerWaalsContact O-N 3.1Å; R182-I185 PolarHBondContact O-N 3.49Å; I185-N187 VanDerWaalsContact C-N 3.34Å; I185-N187 PolarHBondContact O-N 2.81Å; I185-C188 PolarHBondContact O-N 3.24Å; I185-L189 HydrophobicContact CG2-CD1 3.97Å; I185-L189 WeakPolarHBondContact O-CG 3.42Å; I185-L189 PolarHBondContact O-N 3.29Å
186R62.2Low58.3Low165 Ų16579.1 Ų79.162%0.62340%0.395SS*.Hα-helixtrans-62.6-39.4-179.8-161.9177.4-163.9-179.94.6112.3R182 Q183 K184 L189 F190R182-R186 VanDerWaalsContact O-CB 3.31Å; R182-R186 WeakPolarHBondContact O-CB 3.36Å; R182-R186 PolarHBondContact O-N 3.18Å; Q183-R186 PolarHBondContact O-N 2.95Å; K184-R186 VanDerWaalsContact C-N 3.34Å; K184-R186 PolarHBondContact O-N 2.72Å; R186-L189 PolarHBondContact O-N 3.49Å; R186-F190 WeakPolarHBondContact O-CB 3.25Å; R186-F190 PolarHBondContact O-N 2.84Å
187N63.8Low56.3Low91 Ų9183.8 Ų83.849%0.48742%0.42SS..Hα-helixtrans-68.2-43.3176.7-71.9-6.3000112Q183 K184 I185 L189 F190 V191Q183-N187 WeakPolarHBondContact O-CB 3.35Å; Q183-N187 PolarHBondContact O-N 3.45Å; Q183-N187 PolarHBondContact O-OD1 3.1Å; K184-N187 PolarHBondContact O-N 3Å; I185-N187 VanDerWaalsContact C-N 3.34Å; I185-N187 PolarHBondContact O-N 2.81Å; N187-L189 VanDerWaalsContact C-N 3.3Å; N187-L189 PolarHBondContact O-N 3.04Å; N187-F190 PolarHBondContact O-N 3.47Å; N187-V191 WeakPolarHBondContact O-CG2 3.23Å; N187-V191 PolarHBondContact O-N 3.43Å
188C58.2Low54.2Low89 Ų8982.5 Ų82.560%0.60142%0.422SS*.Hα-helixtrans-59.8-40.6174.3-69.20000111.9K184 I185 S192K184-C188 PolarHBondContact O-N 3.22Å; K184-C188 PolarHBondContact O-SG 3.31Å; I185-C188 PolarHBondContact O-N 3.24Å; C188-S192 VanDerWaalsContact O-CB 3.32Å; C188-S192 WeakPolarHBondContact O-CB 3.45Å; C188-S192 PolarHBondContact O-N 3.01Å
189L50.3Low52.2Low23 Ų2386 Ų8612%0.1245%0.446CS..Hα-helixtrans-63.3-52172.2-71.3166.6000111.3I185 R186 N187 V191 S192 L193 V253 T254I185-L189 HydrophobicContact CG2-CD1 3.97Å; I185-L189 WeakPolarHBondContact O-CG 3.42Å; I185-L189 PolarHBondContact O-N 3.29Å; R186-L189 PolarHBondContact O-N 3.49Å; N187-L189 VanDerWaalsContact C-N 3.3Å; N187-L189 PolarHBondContact O-N 3.04Å; L189-V191 PolarHBondContact O-N 2.87Å; L189-S192 PolarHBondContact O-N 2.78Å; L189-L193 WeakPolarHBondContact O-CB 3.2Å; L189-L193 PolarHBondContact O-N 2.84Å; L189-V253 HydrophobicContact CD1-CG1 3.88Å; L189-V253 HydrophobicContact CD2-CB 4.13Å; L189-V253 HydrophobicContact CD2-CG1 3.87Å; L189-V253 HydrophobicContact CG-CG1 4.37Å; L189-T254 HydrophobicContact CD2-CG2 4.5Å
190F42.1Very low50.3Low127 Ų12783.8 Ų83.856%0.55745%0.452SS*.Hα-helixtrans-63.1-41.7-174.4-123.4-93.4000113.4R186 N187 L193 L194R186-F190 WeakPolarHBondContact O-CB 3.25Å; R186-F190 PolarHBondContact O-N 2.84Å; N187-F190 PolarHBondContact O-N 3.47Å; F190-L193 PolarHBondContact O-N 3.12Å; F190-L194 HydrophobicContact CD1-CD1 3.89Å; F190-L194 HydrophobicContact CD1-CG 4.34Å; F190-L194 HydrophobicContact CE1-CD1 4.42Å; F190-L194 WeakPolarHBondContact O-CB 3.47Å; F190-L194 WeakPolarHBondContact O-CG 3.48Å; F190-L194 PolarHBondContact O-N 3.02Å
191V43.6Very low48.2Very low88 Ų8891.2 Ų91.253%0.53348%0.476SS..Hα-helixtrans-64.3-47.8176.3173.80000110.4N187 L189 L193 L194 D195N187-V191 WeakPolarHBondContact O-CG2 3.23Å; N187-V191 PolarHBondContact O-N 3.43Å; L189-V191 PolarHBondContact O-N 2.87Å; V191-L193 PolarHBondContact O-N 3.34Å; V191-L194 PolarHBondContact O-N 3.22Å; V191-D195 PolarHBondContact O-N 3.05Å
192S41.7Very low46.5Very low26 Ų26102.4 Ų102.418%0.18252%0.518CS..Hα-helixtrans-63.6-27.6178.8-171.60000113.2C188 L189 Q196C188-S192 VanDerWaalsContact O-CB 3.32Å; C188-S192 WeakPolarHBondContact O-CB 3.45Å; C188-S192 PolarHBondContact O-N 3.01Å; L189-S192 PolarHBondContact O-N 2.78Å; S192-Q196 VanDerWaalsContact O-CD 3.3Å; S192-Q196 WeakPolarHBondContact O-CG 3.48Å; S192-Q196 PolarHBondContact O-NE2 2.83Å; S192-Q196 PolarHBondContact OG-NE2 3.37Å
193L33.1Very low44.7Very low90 Ų90103.2 Ų103.247%0.47154%0.54SS..Hα-helixtrans-84.4-36.4177.9-133.6155.7000112.2L189 F190 V191 Q196 L197L189-L193 WeakPolarHBondContact O-CB 3.2Å; L189-L193 PolarHBondContact O-N 2.84Å; F190-L193 PolarHBondContact O-N 3.12Å; V191-L193 PolarHBondContact O-N 3.34Å; L193-Q196 PolarHBondContact O-N 3.2Å; L193-L197 HydrophobicContact CD2-CD1 3.6Å; L193-L197 HydrophobicContact CD2-CG 4.08Å; L193-L197 WeakPolarHBondContact O-CB 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.43Å; L193-L197 PolarHBondContact O-N 3.38Å
194L36.5Very low43.2Very low101 Ų101103.5 Ų103.553%0.52955%0.553SS.*Hα-helixtrans-68.2-42.6174.5-81169.3000112.5F190 V191 Q196 L197 A198F190-L194 HydrophobicContact CD1-CD1 3.89Å; F190-L194 HydrophobicContact CD1-CG 4.34Å; F190-L194 HydrophobicContact CE1-CD1 4.42Å; F190-L194 WeakPolarHBondContact O-CB 3.47Å; F190-L194 WeakPolarHBondContact O-CG 3.48Å; F190-L194 PolarHBondContact O-N 3.02Å; V191-L194 PolarHBondContact O-N 3.22Å; L194-Q196 PolarHBondContact O-N 3.07Å; L194-L197 PolarHBondContact O-N 3.29Å; L194-L197 VanDerWaalsContact O-N 3.12Å; L194-A198 WeakPolarHBondContact O-CB 3.41Å; L194-A198 PolarHBondContact O-N 3.07Å
195D39.5Very low41.5Very low128 Ų128106.2 Ų106.268%0.68458%0.584SS**Hα-helixtrans-64.3-19.9174.8-86-8.6000113V191V191-D195 PolarHBondContact O-N 3.05Å
196Q38.5Very low40.2Very low97 Ų97109.5 Ų109.545%0.45361%0.613SS.*Hα-helixtrans-90.3-26.3173.6-71.6175.451.100113.3S192 L193 L194S192-Q196 VanDerWaalsContact O-CD 3.3Å; S192-Q196 WeakPolarHBondContact O-CG 3.48Å; S192-Q196 PolarHBondContact O-NE2 2.83Å; S192-Q196 PolarHBondContact OG-NE2 3.37Å; L193-Q196 PolarHBondContact O-N 3.2Å; L194-Q196 PolarHBondContact O-N 3.07Å
197L30.9Very low39.1Very low125 Ų125109.3 Ų109.365%0.65462%0.624SS**Hα-helixtrans-88.3-19.4176.7-73.8173.6000113.5L193 L194 P199L193-L197 HydrophobicContact CD2-CD1 3.6Å; L193-L197 HydrophobicContact CD2-CG 4.08Å; L193-L197 WeakPolarHBondContact O-CB 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.43Å; L193-L197 PolarHBondContact O-N 3.38Å; L194-L197 PolarHBondContact O-N 3.29Å; L194-L197 VanDerWaalsContact O-N 3.12Å; L197-P199 WeakPolarHBondContact O-CD 3.5Å
198A32.1Very low37.7Very low61 Ų61109.4 Ų109.450%0.50464%0.638SS.*SBendtrans-75.4106.9171.100000110.1L194 G200L194-A198 WeakPolarHBondContact O-CB 3.41Å; L194-A198 PolarHBondContact O-N 3.07Å; A198-G200 PolarHBondContact O-N 3.01Å
199P32.1Very low36.8Very low118 Ų118110.9 Ų110.977%0.76665%0.646SS**  trans-64.2117.8174.627.8-34000108.6L197 R201L197-P199 WeakPolarHBondContact O-CD 3.5Å; P199-R201 PolarHBondContact O-N 2.87Å
200G33.7Very low36.1Very low73 Ų73120 Ų12075%0.75368%0.68SS**  trans-52.898.9-177.700000111.4A198 R202A198-G200 PolarHBondContact O-N 3.01Å; G200-R202 VanDerWaalsContact C-N 3.29Å; G200-R202 PolarHBondContact O-N 2.87Å
201R31.5Very low36Very low246 Ų246122.4 Ų122.493%0.92869%0.693SS**  trans-74.282.2-166.8-162.1179.3-165.6-177.55109.6P199 S203P199-R201 PolarHBondContact O-N 2.87Å; R201-S203 PolarHBondContact O-N 3.49Å; R201-S203 VanDerWaalsContact O-N 3.17Å
202R35.5Very low35.8Very low236 Ų236124 Ų12489%0.89171%0.709SS**  trans-45.5123.1176.2-81.6-176.4171.3174.9-1.8109.3G200 S204G200-R202 VanDerWaalsContact C-N 3.29Å; G200-R202 PolarHBondContact O-N 2.87Å; R202-S204 PolarHBondContact O-N 3.25Å
203S30.9Very low35.7Very low125 Ų125125.5 Ų125.587%0.87473%0.728SS**  trans-69.673.4175.4380000110.8R201 A205R201-S203 PolarHBondContact O-N 3.49Å; R201-S203 VanDerWaalsContact O-N 3.17Å; S203-A205 PolarHBondContact O-N 2.72Å
204S37.5Very low36.1Very low110 Ų110128.3 Ų128.377%0.76975%0.749SS**  trans-76.5100.1169.6-168.50000109R202 A206R202-S204 PolarHBondContact O-N 3.25Å; S204-A206 PolarHBondContact O-N 3.06Å
205A33.4Very low36.3Very low101 Ų101127.3 Ų127.384%0.83576%0.756SS**  trans-72.5113169.800000109.8S203S203-A205 PolarHBondContact O-N 2.72Å
206A37.7Very low36.5Very low79 Ų79131 Ų13165%0.65377%0.765SS**  trans-169143.1156.800000110.5S204S204-A206 PolarHBondContact O-N 3.06Å
207N39.5Very low36.7Very low161 Ų161132.7 Ų132.786%0.86178%0.782SS**  trans98.784.8167.9-54.9-7.9000116.6
208A34.6Very low37.3Very low93 Ų93131.4 Ų131.477%0.76978%0.783SS**  trans-73.5165.7149.100000110
209P38Very low37.8Very low120 Ų120137.2 Ų137.278%0.77980%0.8SS**  -135.6157.899.536.1-25.7000115
210Y36.5Very low38.4Very low215 Ų215137.3 Ų137.384%0.84380%0.801SS**  trans9.4135.1146.2-94.2-119.5000117.8
211Q39.4Very low38.6Very low177 Ų177145 Ų14583%0.82781%0.807SS**  -152.6164.952.4-71.1-178-7.700115.2
212S39Very low39.2Very low123 Ų123138.5 Ų138.586%0.8680%0.797SS**  trans6.8137.1153.7-1560000120.8
213G39.2Very low39.5Very low57 Ų57132.5 Ų132.559%0.58879%0.786SS**  cis164.2174.6-1.100000114.1
214T42.7Very low40.2Very low149 Ų149135.5 Ų135.591%0.91478%0.784SS**  trans62.9139.5171.756.20000119
215A40.4Very low40.3Very low80 Ų80141.5 Ų141.566%0.66179%0.789SS**  cis-165.2144.5-13.300000113.7
216K43Very low40.6Very low205 Ų205143.6 Ų143.689%0.89179%0.791SS**  trans65.9154.7161.9-59.8170.4-176.9177.90115.5
217V42.6Very low40.7Very low133 Ų133149.2 Ų149.281%0.80680%0.801SS**  cis-138.2171.130.5170.50000112.7
218S44Very low40.6Very low97 Ų97151.5 Ų151.568%0.67880%0.803SS**  trans-53.6148.8-177.1430000117.8
219Q43.6Very low40.6Very low184 Ų184152.2 Ų152.286%0.8680%0.8SS**  71.115260.8-107.1-171.66.100115
220P44.1Very low40.6Very low119 Ų119153.8 Ų153.877%0.77380%0.802SS**  cis-136.8-169.2-242.2-22.9000116.7
221R38.8Very low40.8Very low235 Ų235152 Ų15289%0.88780%0.802SS**  trans-112171.7170.3-122.5-175.4-177.9173.82.1109.4
222P43.2Very low40.9Very low110 Ų110149.3 Ų149.371%0.71480%0.797SS**  cis-134.1-135.646.426.12.1000113.5
223T42.8Very low41Very low109 Ų109152.6 Ų152.667%0.66980%0.795SS**  cis-160148.56.3-23.40000115.5
224K44.1Very low41Very low188 Ų188158.2 Ų158.282%0.81780%0.804SS**  trans11.2125.9151.3-66.8168.8174170.50122.2
225R39.1Very low41.1Very low237 Ų237156.9 Ų156.989%0.89479%0.791SS**  172.3168.799-93.4-166.7-179.5-165.50.9115
226V40.4Very low41.1Very low144 Ų144157.7 Ų157.787%0.87378%0.783SS**  trans80.9139.4165.5-161.20000118.8
227K40Very low40.6Very low198 Ų198150.7 Ų150.786%0.86176%0.764SS**  trans-111.9149.9177.5-67174.2174.6175.30111.4
228K36.9Very low40.4Very low209 Ų209149.6 Ų149.691%0.90976%0.757SS**  trans-154.1150.4135.8-112.3174.1-178.9178.60110.1
229P36.1Very low40.1Very low108 Ų108148 Ų14870%0.70175%0.75SS**  trans-108.2175.1-163.641.1-35.9000115.6
230N37.4Very low39.8Very low153 Ų153144.5 Ų144.582%0.81874%0.735SS**  trans67.293.7156.4-64-15.8000120
231Q41.1Very low39.4Very low178 Ų178143 Ų14383%0.83272%0.723SS**  trans-143.6-32.9141.3-82.5-154.1-6.700114.6K233 K234Q231-K233 PolarHBondContact O-N 3.28Å; Q231-K234 PolarHBondContact O-N 3.21Å
232V41Very low39.4Very low120 Ų120133.6 Ų133.673%0.72770%0.7SS**THydrogen-bonded Turntrans-50.2-30.7-164.3-179.90000115.9K234V232-K234 PolarHBondContact O-N 3.41Å
233K40.2Very low39.5Very low191 Ų191134.9 Ų134.983%0.8369%0.694SS**Hα-helixtrans-70.2-18.3-174.8-82.1-169.1174-176.40115.9Q231Q231-K233 PolarHBondContact O-N 3.28Å
234K40.5Very low39.5Very low175 Ų175131.6 Ų131.676%0.76168%0.682SS**Hα-helixtrans-73.1-35.6179.9-94.8-170.3172.7-175.20113.5Q231 V232 I236 A237Q231-K234 PolarHBondContact O-N 3.21Å; V232-K234 PolarHBondContact O-N 3.41Å; K234-I236 VanDerWaalsContact C-N 3.32Å; K234-I236 PolarHBondContact O-N 2.82Å; K234-A237 PolarHBondContact O-N 2.67Å
235N43.1Very low39.7Very low122 Ų122127.1 Ų127.165%0.65266%0.663SS**Hα-helixtrans-70.8-28.3-170.8-62.210.7000113A237 V238 A239N235-A237 VanDerWaalsContact C-N 3.32Å; N235-A237 PolarHBondContact O-N 2.79Å; N235-V238 PolarHBondContact O-N 2.85Å; N235-A239 PolarHBondContact O-N 3.15Å; N235-A239 VanDerWaalsContact O-N 3.09Å
236I41Very low40.1Very low96 Ų96121 Ų12149%0.49265%0.645SS.*Hα-helixtrans-64.4-36-178.5-55.8176.1000111.6K234 M240K234-I236 VanDerWaalsContact C-N 3.32Å; K234-I236 PolarHBondContact O-N 2.82Å; I236-M240 HydrophobicContact CG2-CE 4Å; I236-M240 PolarHBondContact O-N 2.78Å; I236-M240 VanDerWaalsContact O-N 3.13Å
237A33.6Very low40.9Very low59 Ų59116.9 Ų116.949%0.48862%0.617SS.*Hα-helixtrans-67.7-42.1178.500000112.1K234 N235 M240 V241K234-A237 PolarHBondContact O-N 2.67Å; N235-A237 VanDerWaalsContact C-N 3.32Å; N235-A237 PolarHBondContact O-N 2.79Å; A237-M240 PolarHBondContact O-N 3.18Å; A237-V241 WeakPolarHBondContact O-CG2 3.34Å; A237-V241 PolarHBondContact O-N 3.49Å
238V36.8Very low41.4Very low110 Ų110110.9 Ų110.967%0.66759%0.591SS**Hα-helixtrans-65.5-42.8177.9-176.50000110.7N235 M240 V241 G242N235-V238 PolarHBondContact O-N 2.85Å; V238-M240 PolarHBondContact O-N 3.03Å; V238-V241 PolarHBondContact O-N 3.19Å; V238-G242 PolarHBondContact O-N 3.4Å; V238-G242 VanDerWaalsContact O-N 3.12Å
239A37.6Very low42.2Very low64 Ų64103.5 Ų103.553%0.52956%0.558SS.*Hα-helixtrans-59.3-44.2176.300000112.6N235 V241 G242 F243N235-A239 PolarHBondContact O-N 3.15Å; N235-A239 VanDerWaalsContact O-N 3.09Å; A239-V241 PolarHBondContact O-N 3.3Å; A239-G242 PolarHBondContact O-N 3.32Å; A239-F243 WeakPolarHBondContact O-CB 3.48Å; A239-F243 PolarHBondContact O-N 3.46Å
240M37.1Very low43Very low110 Ų11099.2 Ų99.254%0.54253%0.532SS..Hα-helixtrans-64.6-36.2177.6-80.4-164-85.200113.4I112 I236 A237 V238 F243 G244I112-M240 HydrophobicContact CD1-SD 4.39Å; I236-M240 HydrophobicContact CG2-CE 4Å; I236-M240 PolarHBondContact O-N 2.78Å; I236-M240 VanDerWaalsContact O-N 3.13Å; A237-M240 PolarHBondContact O-N 3.18Å; V238-M240 PolarHBondContact O-N 3.03Å; M240-F243 PolarHBondContact O-N 2.9Å; M240-G244 PolarHBondContact O-N 3.28Å
241V37.2Very low43.7Very low86 Ų8696.3 Ų96.352%0.52152%0.515SS..Hα-helixtrans-66.9-43.1176.5173.50000111.1A237 V238 A239 G244 F245A237-V241 WeakPolarHBondContact O-CG2 3.34Å; A237-V241 PolarHBondContact O-N 3.49Å; V238-V241 PolarHBondContact O-N 3.19Å; A239-V241 PolarHBondContact O-N 3.3Å; V241-G244 PolarHBondContact O-N 3.06Å; V241-F245 PolarHBondContact O-N 2.91Å; V241-F245 VanDerWaalsContact O-N 3.1Å
242G37.4Very low44.3Very low39 Ų3989.1 Ų89.140%0.40248%0.483SS..Hα-helixtrans-61.7-42.8174.500000112.9V238 A239 F245 Q246V238-G242 PolarHBondContact O-N 3.4Å; V238-G242 VanDerWaalsContact O-N 3.12Å; A239-G242 PolarHBondContact O-N 3.32Å; G242-F245 PolarHBondContact O-N 3.38Å; G242-Q246 WeakPolarHBondContact O-CG 3.33Å; G242-Q246 PolarHBondContact O-N 2.84Å
243F46.4Very low44.7Very low136 Ų13684.1 Ų84.160%0.59645%0.452SS*.Hα-helixtrans-64.7-41178.3-155.2-102.4000112.2A239 M240 F245 Q246 I247A239-F243 WeakPolarHBondContact O-CB 3.48Å; A239-F243 PolarHBondContact O-N 3.46Å; M240-F243 PolarHBondContact O-N 2.9Å; F243-F245 VanDerWaalsContact C-N 3.34Å; F243-F245 PolarHBondContact O-N 3.19Å; F243-Q246 PolarHBondContact O-N 2.99Å; F243-I247 HydrophobicContact CD1-CD1 3.71Å; F243-I247 HydrophobicContact CD1-CG1 4.45Å; F243-I247 HydrophobicContact CE1-CD1 3.72Å; F243-I247 HydrophobicContact CE1-CG1 4.45Å; F243-I247 WeakPolarHBondContact O-CG1 3.47Å; F243-I247 PolarHBondContact O-N 3.01Å
244G42Very low45.2Very low40 Ų4077.8 Ų77.841%0.41243%0.43SS..Hα-helixtrans-62.2-38.4174.100000113.3M240 V241 F248M240-G244 PolarHBondContact O-N 3.28Å; V241-G244 PolarHBondContact O-N 3.06Å; G244-F248 WeakPolarHBondContact O-CB 3.32Å; G244-F248 PolarHBondContact O-N 3.31Å
245F48.3Very low45.4Very low95 Ų9573.3 Ų73.342%0.41741%0.414SS..Hα-helixtrans-66.8-42.3175-172.9-93.6000112V241 G242 F243 F248 Y249V241-F245 PolarHBondContact O-N 2.91Å; V241-F245 VanDerWaalsContact O-N 3.1Å; G242-F245 PolarHBondContact O-N 3.38Å; F243-F245 VanDerWaalsContact C-N 3.34Å; F243-F245 PolarHBondContact O-N 3.19Å; F245-F248 PolarHBondContact O-N 2.96Å; F245-Y249 VanDerWaalsContact O-CB 3.27Å; F245-Y249 WeakPolarHBondContact O-CB 3.41Å; F245-Y249 PolarHBondContact O-N 3.15Å
246Q49Very low45.2Very low108 Ų10868.5 Ų68.551%0.50539%0.391SS..Hα-helixtrans-61.5-44.3176.4-72.7-70-0.700112.5G242 F243 Y249 A250G242-Q246 WeakPolarHBondContact O-CG 3.33Å; G242-Q246 PolarHBondContact O-N 2.84Å; F243-Q246 PolarHBondContact O-N 2.99Å; Q246-Y249 PolarHBondContact O-N 2.89Å; Q246-A250 WeakPolarHBondContact O-CB 3.37Å; Q246-A250 PolarHBondContact O-N 2.77Å
247I56.5Low45.2Very low58 Ų5868.1 Ų68.130%0.29739%0.387SS..Hα-helixtrans-62-46.3175.2-68169.1000110.8F243 Y249 A250 L251F243-I247 HydrophobicContact CD1-CD1 3.71Å; F243-I247 HydrophobicContact CD1-CG1 4.45Å; F243-I247 HydrophobicContact CE1-CD1 3.72Å; F243-I247 HydrophobicContact CE1-CG1 4.45Å; F243-I247 WeakPolarHBondContact O-CG1 3.47Å; F243-I247 PolarHBondContact O-N 3.01Å; I247-Y249 VanDerWaalsContact C-N 3.34Å; I247-Y249 PolarHBondContact O-N 2.98Å; I247-A250 PolarHBondContact O-N 2.83Å; I247-L251 HydrophobicContact CG2-CD1 4.21Å; I247-L251 WeakPolarHBondContact O-CB 3.3Å; I247-L251 PolarHBondContact O-N 2.96Å
248F50.7Low45.2Very low72 Ų7268.6 Ų68.632%0.31640%0.397SS..Hα-helixtrans-63.2-39.9179.2-176.5-118000112L123 L134 G244 F245 L252L123-F248 HydrophobicContact CD1-CE1 4.32Å; L123-F248 HydrophobicContact CD1-CZ 4.25Å; L134-F248 HydrophobicContact CD1-CE1 4.35Å; G244-F248 WeakPolarHBondContact O-CB 3.32Å; G244-F248 PolarHBondContact O-N 3.31Å; F245-F248 PolarHBondContact O-N 2.96Å; F248-L252 HydrophobicContact CD1-CD1 3.66Å; F248-L252 HydrophobicContact CD2-CD1 4.37Å; F248-L252 HydrophobicContact CE1-CD1 3.39Å; F248-L252 HydrophobicContact CE1-CG 4.46Å; F248-L252 HydrophobicContact CE2-CD1 4.13Å; F248-L252 HydrophobicContact CE2-CG 4.41Å; F248-L252 HydrophobicContact CG-CD1 4.16Å; F248-L252 HydrophobicContact CZ-CD1 3.65Å; F248-L252 HydrophobicContact CZ-CG 4.33Å; F248-L252 WeakPolarHBondContact O-CB 3.49Å; F248-L252 VanDerWaalsContact O-CG 3.31Å; F248-L252 WeakPolarHBondContact O-CG 3.27Å; F248-L252 PolarHBondContact O-N 2.94Å
249Y52.4Low45.2Very low53 Ų5365.4 Ų65.421%0.20838%0.38CS..Hα-helixtrans-65.5-46.4175.4-175.5-96.9000112.1C142 F245 Q246 I247 L251 L252 V253C142-Y249 PolarHBondContact SG-OH 2.76Å; F245-Y249 VanDerWaalsContact O-CB 3.27Å; F245-Y249 WeakPolarHBondContact O-CB 3.41Å; F245-Y249 PolarHBondContact O-N 3.15Å; Q246-Y249 PolarHBondContact O-N 2.89Å; I247-Y249 VanDerWaalsContact C-N 3.34Å; I247-Y249 PolarHBondContact O-N 2.98Å; Y249-L251 VanDerWaalsContact C-N 3.35Å; Y249-L251 PolarHBondContact O-N 2.93Å; Y249-L252 PolarHBondContact O-N 3.08Å; Y249-V253 HydrophobicContact CD1-CG2 4.19Å; Y249-V253 HydrophobicContact CE1-CG2 3.86Å; Y249-V253 HydrophobicContact CE2-CG2 4.33Å; Y249-V253 WeakPolarHBondContact O-CG2 3.47Å; Y249-V253 PolarHBondContact O-N 2.82Å
250A53.3Low45.2Very low18 Ų1866.9 Ų66.915%0.14939%0.386CS..Hα-helixtrans-62-40.3176.200000112.4Q246 I247 T254Q246-A250 WeakPolarHBondContact O-CB 3.37Å; Q246-A250 PolarHBondContact O-N 2.77Å; I247-A250 PolarHBondContact O-N 2.83Å; A250-T254 WeakPolarHBondContact O-CB 3.31Å; A250-T254 WeakPolarHBondContact O-CG2 3.39Å; A250-T254 PolarHBondContact O-N 3.43Å; A250-T254 PolarHBondContact O-OG1 3.04Å
251L53.3Low45.6Very low92 Ų9269.9 Ų69.948%0.48240%0.399SS..Hα-helixtrans-63-44.6171.8-100.4158.8000112I247 Y249 T254 L255I247-L251 HydrophobicContact CG2-CD1 4.21Å; I247-L251 WeakPolarHBondContact O-CB 3.3Å; I247-L251 PolarHBondContact O-N 2.96Å; Y249-L251 VanDerWaalsContact C-N 3.35Å; Y249-L251 PolarHBondContact O-N 2.93Å; L251-T254 WeakPolarHBondContact CA-OG1 3.38Å; L251-T254 PolarHBondContact O-OG1 3.02Å; L251-L255 HydrophobicContact CD2-CD1 4.35Å; L251-L255 VanDerWaalsContact O-CB 3.24Å; L251-L255 WeakPolarHBondContact O-CB 3.48Å; L251-L255 WeakPolarHBondContact O-CD1 3.24Å; L251-L255 WeakPolarHBondContact O-CG 3.15Å; L251-L255 PolarHBondContact O-N 2.7Å
252L52.6Low46.2Very low27 Ų2769.6 Ų69.614%0.14140%0.395CS..Hα-helixtrans-64.7-41178-80.3165.5000112.7L134 I139 F248 Y249 A256L134-L252 HydrophobicContact CD2-CD1 4.06Å; I139-L252 HydrophobicContact CD1-CB 4.47Å; I139-L252 HydrophobicContact CD1-CD1 4.09Å; I139-L252 HydrophobicContact CD1-CD2 4.1Å; I139-L252 HydrophobicContact CD1-CG 4.47Å; F248-L252 HydrophobicContact CD1-CD1 3.66Å; F248-L252 HydrophobicContact CD2-CD1 4.37Å; F248-L252 HydrophobicContact CE1-CD1 3.39Å; F248-L252 HydrophobicContact CE1-CG 4.46Å; F248-L252 HydrophobicContact CE2-CD1 4.13Å; F248-L252 HydrophobicContact CE2-CG 4.41Å; F248-L252 HydrophobicContact CG-CD1 4.16Å; F248-L252 HydrophobicContact CZ-CD1 3.65Å; F248-L252 HydrophobicContact CZ-CG 4.33Å; F248-L252 WeakPolarHBondContact O-CB 3.49Å; F248-L252 VanDerWaalsContact O-CG 3.31Å; F248-L252 WeakPolarHBondContact O-CG 3.27Å; F248-L252 PolarHBondContact O-N 2.94Å; Y249-L252 PolarHBondContact O-N 3.08Å; L252-A256 VanDerWaalsContact O-CB 3.22Å; L252-A256 WeakPolarHBondContact O-CB 3.44Å; L252-A256 PolarHBondContact O-N 2.57Å
253V50.5Low47.1Very low15 Ų1569.9 Ų69.99%0.09139%0.387CS..Hα-helixtrans-69.4-45.6178.6174.90000111L189 Y249 L255 A256 E257L189-V253 HydrophobicContact CD1-CG1 3.88Å; L189-V253 HydrophobicContact CD2-CB 4.13Å; L189-V253 HydrophobicContact CD2-CG1 3.87Å; L189-V253 HydrophobicContact CG-CG1 4.37Å; Y249-V253 HydrophobicContact CD1-CG2 4.19Å; Y249-V253 HydrophobicContact CE1-CG2 3.86Å; Y249-V253 HydrophobicContact CE2-CG2 4.33Å; Y249-V253 WeakPolarHBondContact O-CG2 3.47Å; Y249-V253 PolarHBondContact O-N 2.82Å; V253-L255 VanDerWaalsContact C-N 3.34Å; V253-L255 PolarHBondContact O-N 3.02Å; V253-A256 PolarHBondContact O-N 2.84Å; V253-E257 WeakPolarHBondContact O-CG 3.5Å; V253-E257 PolarHBondContact O-N 2.65Å
254T49.8Very low48.6Very low58 Ų5865.4 Ų65.436%0.35637%0.37SS..Hα-helixtrans-64-36.9176.150.10000112.5L189 A250 L251 G258L189-T254 HydrophobicContact CD2-CG2 4.5Å; A250-T254 WeakPolarHBondContact O-CB 3.31Å; A250-T254 WeakPolarHBondContact O-CG2 3.39Å; A250-T254 PolarHBondContact O-N 3.43Å; A250-T254 PolarHBondContact O-OG1 3.04Å; L251-T254 WeakPolarHBondContact CA-OG1 3.38Å; L251-T254 PolarHBondContact O-OG1 3.02Å; T254-G258 PolarHBondContact O-N 3.12Å
255L44.4Very low50.6Low82 Ų8263.6 Ų63.643%0.42935%0.35SS..Hα-helixtrans-68.4-29.8170.9-71.4168.2000113.2L251 V253L251-L255 HydrophobicContact CD2-CD1 4.35Å; L251-L255 VanDerWaalsContact O-CB 3.24Å; L251-L255 WeakPolarHBondContact O-CB 3.48Å; L251-L255 WeakPolarHBondContact O-CD1 3.24Å; L251-L255 WeakPolarHBondContact O-CG 3.15Å; L251-L255 PolarHBondContact O-N 2.7Å; V253-L255 VanDerWaalsContact C-N 3.34Å; V253-L255 PolarHBondContact O-N 3.02Å
256A38.8Very low52.5Low21 Ų2159.2 Ų59.217%0.17433%0.331CS..Hα-helixtrans-77.9-30.8176.700000113.3L252 V253L252-A256 VanDerWaalsContact O-CB 3.22Å; L252-A256 WeakPolarHBondContact O-CB 3.44Å; L252-A256 PolarHBondContact O-N 2.57Å; V253-A256 PolarHBondContact O-N 2.84Å
257E42.3Very low54.5Low88 Ų8854.1 Ų54.141%0.41131%0.307SS..Hα-helixtrans-72.5-42.4169.5-70.6-174.7149.800111.1V146 V253 S259 S260V146-E257 HydrophobicContact CG1-CG 4.41Å; V253-E257 WeakPolarHBondContact O-CG 3.5Å; V253-E257 PolarHBondContact O-N 2.65Å; E257-S259 PolarHBondContact O-N 3.4Å; E257-S260 PolarHBondContact O-N 2.85Å
258G33.3Very low56.2Low68 Ų6852.6 Ų52.670%0.70130%0.299SS*.THydrogen-bonded Turntrans-63.2-3.8174.900000115.7T254T254-G258 PolarHBondContact O-N 3.12Å
259S35.9Very low58Low43 Ų4351.9 Ų51.930%0.30130%0.301SS..THydrogen-bonded Turntrans-97.710.3173.3173.60000112.8E257 E261E257-S259 PolarHBondContact O-N 3.4Å; S259-E261 PolarHBondContact O-N 2.92Å; S259-E261 VanDerWaalsContact O-N 3.12Å
260S37.8Very low59.7Low95 Ų9557.3 Ų57.366%0.66432%0.321SS*.  trans-82.256166.6-168.40000112.3E257 D262E257-S260 PolarHBondContact O-N 2.85Å; S260-D262 PolarHBondContact O-N 2.01Å
261E45.5Very low61.3Low174 Ų17461.7 Ų61.781%0.81334%0.337SS*.  trans-62.796.1153.3-79.4-169.8131.700107.2S259 D263S259-E261 PolarHBondContact O-N 2.92Å; S259-E261 VanDerWaalsContact O-N 3.12Å; E261-D263 PolarHBondContact O-N 3.43Å
262D50Low62.9Low79 Ų7958.2 Ų58.242%0.42232%0.319SS..  trans-79.959.8174-165.228.8000109.3S260 D264 K297S260-D262 PolarHBondContact O-N 2.01Å; D262-D264 PolarHBondContact O-N 3.36Å; D262-D264 VanDerWaalsContact O-N 3.08Å; D262-K297 IonicContact OD1-NZ 3.58Å; D262-K297 PolarHBondContact OD1-NZ 3.46Å; D262-K297 IonicContact OD2-NZ 2.78Å; D262-K297 PolarHBondContact OD2-NZ 2.86Å
263D57.3Low64.4Low45 Ų4557.8 Ų57.824%0.24132%0.321CS..  trans0.588.1-177.2-102.1-51.7000112E261 I265 S278 K280 T366E261-D263 PolarHBondContact O-N 3.43Å; D263-I265 CarbonylContact O-C 3.6Å; D263-I265 PolarHBondContact O-N 2.97Å; D263-S278 WeakPolarHBondContact OD2-CB 3.39Å; D263-K280 IonicContact OD1-NZ 2.68Å; D263-K280 IonicContact OD2-NZ 3.11Å; D263-K280 PolarHBondContact OD2-NZ 2.89Å; D263-T366 PolarHBondContact OD1-OG1 2.98Å
264D76.4Confident65.6Low43 Ų4363 Ų6323%0.2335%0.349CS..SBendtrans-55.8-27.9-175.8-98.8-50.7000112D262 S296 K297 R298 I364D262-D264 PolarHBondContact O-N 3.36Å; D262-D264 VanDerWaalsContact O-N 3.08Å; D264-S296 CarbonylContact O-C 3.57Å; D264-S296 VanDerWaalsContact O-CA 3.22Å; D264-S296 WeakPolarHBondContact O-CA 3.17Å; D264-S296 PolarHBondContact O-OG 3.08Å; D264-K297 PolarHBondContact O-N 3.42Å; D264-R298 VanDerWaalsContact CG-NE 3.3Å; D264-R298 IonicContact OD1-CZ 2.7Å; D264-R298 IonicContact OD1-NE 3.1Å; D264-R298 PolarHBondContact OD1-NE 2.83Å; D264-R298 IonicContact OD1-NH2 2.68Å; D264-R298 IonicContact OD2-CZ 2.64Å; D264-R298 IonicContact OD2-NE 2.67Å; D264-R298 PolarHBondContact OD2-NE 3.24Å; D264-R298 IonicContact OD2-NH2 3.81Å; D264-R298 PolarHBondContact OD2-NH2 2.86Å; D264-I364 HydrophobicContact CB-CD1 4.11Å
265I84.6Confident67.1Low1 Ų167.9 Ų67.91%0.00537%0.373CS..EExtended strand (participates in β ladder)trans-107.8125.8164.6-52.3173.6000109.4D263 C294 W295 C353 A355 I364 T366D263-I265 CarbonylContact O-C 3.6Å; D263-I265 PolarHBondContact O-N 2.97Å; I265-C294 WeakPolarHBondContact CG2-SG 3.37Å; I265-W295 CarbonylContact C-O 3.55Å; I265-W295 WeakPolarHBondContact CA-O 3.48Å; I265-C353 HydrophobicContact CG2-CB 4.47Å; I265-A355 HydrophobicContact CD1-CB 3.37Å; I265-A355 VanDerWaalsContact CD1-N 3.3Å; I265-A355 HydrophobicContact CG1-CB 3.76Å; I265-I364 HydrophobicContact CD1-CB 3.73Å; I265-I364 HydrophobicContact CD1-CG2 3.66Å; I265-I364 WeakPolarHBondContact CD1-O 3.43Å; I265-I364 HydrophobicContact CG1-CB 4.16Å; I265-I364 HydrophobicContact CG1-CG2 3.81Å; I265-T366 HydrophobicContact CB-CG2 4.12Å; I265-T366 HydrophobicContact CG2-CG2 3.75Å
266I88Confident69Low4 Ų465.7 Ų65.72%0.02136%0.361CS..EExtended strand (participates in β ladder)trans-103.9135.9170.9-64.4161.6000109.4L276 C294 W295 K297I266-L276 WeakPolarHBondContact CD1-O 3.42Å; I266-C294 WeakPolarHBondContact O-CA 3.46Å; I266-W295 HydrophobicContact CB-CD2 4.03Å; I266-W295 HydrophobicContact CB-CE3 4.39Å; I266-W295 HydrophobicContact CB-CH2 4.16Å; I266-W295 HydrophobicContact CB-CZ2 3.76Å; I266-W295 HydrophobicContact CB-CZ3 4.46Å; I266-W295 HydrophobicContact CD1-CZ2 3.91Å; I266-W295 HydrophobicContact CG1-CZ2 4.44Å; I266-W295 HydrophobicContact CG2-CD2 4.26Å; I266-W295 HydrophobicContact CG2-CE3 4.24Å; I266-W295 HydrophobicContact CG2-CH2 3.35Å; I266-W295 HydrophobicContact CG2-CZ2 3.33Å; I266-W295 HydrophobicContact CG2-CZ3 3.82Å; I266-W295 PolarHBondContact N-O 3.4Å; I266-W295 PolarHBondContact O-N 3.26Å; I266-K297 HydrophobicContact CD1-CG 4.32Å
267I90.4Very high71.2Confident0 Ų071.4 Ų71.40%038%0.382CS..EExtended strand (participates in β ladder)trans-114.2134.3166.3-154.3170.4000109.2S278 I279 L292 Y293 C294 F306 C353 T366 V368I267-S278 WeakPolarHBondContact O-CA 3.18Å; I267-I279 HydrophobicContact CG2-CG1 4.35Å; I267-I279 WeakPolarHBondContact CG2-O 3.01Å; I267-I279 PolarHBondContact O-N 3.25Å; I267-L292 HydrophobicContact CD1-CD2 3.82Å; I267-L292 HydrophobicContact CD1-CG 4.15Å; I267-L292 HydrophobicContact CG1-CD1 4.04Å; I267-L292 HydrophobicContact CG1-CD2 4.16Å; I267-L292 HydrophobicContact CG1-CG 3.91Å; I267-Y293 CarbonylContact C-O 3.53Å; I267-Y293 WeakPolarHBondContact CA-O 3.11Å; I267-Y293 WeakPolarHBondContact CG1-O 3.41Å; I267-C294 HydrophobicContact CG1-CB 4.41Å; I267-F306 HydrophobicContact CD1-CE1 4.07Å; I267-F306 HydrophobicContact CG1-CE1 4.48Å; I267-C353 HydrophobicContact CD1-CB 4.01Å; I267-T366 HydrophobicContact CB-CG2 3.8Å; I267-T366 HydrophobicContact CG2-CG2 3.97Å; I267-V368 HydrophobicContact CD1-CB 4.49Å; I267-V368 HydrophobicContact CD1-CG1 3.93Å; I267-V368 HydrophobicContact CG2-CB 4.13Å
268H92Very high73.3Confident26 Ų2667.7 Ų67.712%0.1237%0.366CS..EExtended strand (participates in β ladder)trans-157155.3-178-150.1-60.5000112.7R270 K277 Y293 W295H268-R270 PolarHBondContact ND1-N 3.29Å; H268-R270 VanDerWaalsContact ND1-N 3.2Å; H268-R270 PolarHBondContact O-N 3.3Å; H268-K277 PolarHBondContact CD2-O 2.94Å; H268-Y293 PolarHBondContact N-O 2.89Å; H268-Y293 PolarHBondContact O-N 3.2Å; H268-W295 HydrophobicContact CB-CH2 3.75Å; H268-W295 HydrophobicContact CB-CZ3 3.73Å
269T89.8Confident76.1Confident58 Ų5866 Ų6636%0.35634%0.34SS..SBendtrans-77.23.6167.1490000115.1I279 V282T269-I279 HydrophobicContact CG2-CD1 3.96Å; T269-V282 HydrophobicContact CG2-CB 4.45Å; T269-V282 HydrophobicContact CG2-CG2 3.33Å
270R87.6Confident78.7Confident166 Ų16669 Ų6963%0.62635%0.348SS*.SBendtrans-119.5151.5179.7-67.7-178.1177.8-175.1-1.9108.5H268 L276 Y293H268-R270 PolarHBondContact ND1-N 3.29Å; H268-R270 VanDerWaalsContact ND1-N 3.2Å; H268-R270 PolarHBondContact O-N 3.3Å; R270-L276 HydrophobicContact CB-CD1 4.07Å; R270-Y293 WeakPolarHBondContact O-CD2 3.48Å
271K87.1Confident81.3Confident111 Ų11168.9 Ų68.948%0.48334%0.34SS..  trans-49152.3169.9-82.8-169.3161.6-1570111.2L276 Y293 D329K271-L276 WeakPolarHBondContact O-CD1 3.45Å; K271-Y293 HydrophobicContact CG-CE1 4.02Å; K271-D329 WeakPolarHBondContact CE-OD2 3.5Å; K271-D329 IonicContact NZ-OD2 2.68Å; K271-D329 PolarHBondContact NZ-OD2 2.8Å
272P87.2Confident83.4Confident18 Ų1861 Ų6112%0.11730%0.303CS..  trans-51151.4178-28.635.8000114.7W295 F332 Y334P272-W295 HydrophobicContact CB-CD2 3.73Å; P272-W295 HydrophobicContact CB-CE3 4.09Å; P272-W295 HydrophobicContact CB-CG 3.96Å; P272-W295 HydrophobicContact CB-CZ2 4.29Å; P272-W295 HydrophobicContact CG-CB 4.23Å; P272-W295 HydrophobicContact CG-CD2 3.85Å; P272-W295 HydrophobicContact CG-CE3 3.84Å; P272-W295 HydrophobicContact CG-CG 4.06Å; P272-W295 HydrophobicContact CG-CZ3 4.42Å; P272-F332 HydrophobicContact CB-CB 3.53Å; P272-F332 HydrophobicContact CB-CD1 3.79Å; P272-F332 HydrophobicContact CB-CD2 3.79Å; P272-F332 HydrophobicContact CB-CE1 4.47Å; P272-F332 HydrophobicContact CB-CE2 4.46Å; P272-F332 HydrophobicContact CB-CG 3.41Å; P272-F332 VanDerWaalsContact CB-CG 3.41Å; P272-F332 HydrophobicContact CG-CB 4.01Å; P272-F332 HydrophobicContact CG-CG 4.41Å; P272-Y334 HydrophobicContact CG-CD1 3.69Å; P272-Y334 HydrophobicContact CG-CD2 4.2Å; P272-Y334 HydrophobicContact CG-CE1 4.29Å; P272-Y334 HydrophobicContact CG-CG 3.61Å
273G83.8Confident85.4Confident18 Ų1861 Ų6119%0.18631%0.307CS..  trans-177.7146.1177.200000113.2N275 L276G273-N275 PolarHBondContact O-N 3.15Å; G273-L276 PolarHBondContact O-N 3.11Å; G273-L276 VanDerWaalsContact O-N 3.14Å
274N76.3Confident87.1Confident126 Ų12660.1 Ų60.167%0.67430%0.3SS*.THydrogen-bonded Turntrans-55.4-29.7-170.8-73-29.1000115F332N274-F332 WeakPolarHBondContact OD1-CZ 3.24Å
275N81.5Confident87.7Confident159 Ų15964.9 Ų64.985%0.8532%0.315SS*.THydrogen-bonded Turntrans-99.1-0.2-174.2-69-38000114.3G273G273-N275 PolarHBondContact O-N 3.15Å
276L83.9Confident87.9Confident36 Ų3668.3 Ų68.319%0.18833%0.331CS..  trans-83.5157.9179.1-61.3-179.5000111.4I266 R270 K271 G273 W295I266-L276 WeakPolarHBondContact CD1-O 3.42Å; R270-L276 HydrophobicContact CB-CD1 4.07Å; K271-L276 WeakPolarHBondContact O-CD1 3.45Å; G273-L276 PolarHBondContact O-N 3.11Å; G273-L276 VanDerWaalsContact O-N 3.14Å; L276-W295 HydrophobicContact CB-CH2 3.97Å; L276-W295 HydrophobicContact CB-CZ2 3.89Å; L276-W295 HydrophobicContact CD1-CH2 3.74Å; L276-W295 HydrophobicContact CD1-CZ2 4.16Å
277K84.7Confident87.8Confident142 Ų14270.7 Ų70.762%0.61736%0.356SS*.  trans-133.5156.6178.8-65.2-161.6172.4-138.60111H268 I279H268-K277 PolarHBondContact CD2-O 2.94Å; K277-I279 PolarHBondContact O-N 3.44Å
278S86.8Confident87.6Confident10 Ų1072.3 Ų72.37%0.0737%0.37CS..  trans-59.9114.7-179.2-1760000111.2D263 I267 K280 T366D263-S278 WeakPolarHBondContact OD2-CB 3.39Å; I267-S278 WeakPolarHBondContact O-CA 3.18Å; S278-K280 PolarHBondContact OG-NZ 3.49Å; S278-T366 PolarHBondContact OG-OG1 3.48Å
279I90.7Very high87.2Confident31 Ų3179.2 Ų79.216%0.15940%0.395CS..  trans-74.8129.7176.768.3177.5000109.5I267 T269 K277 V282 V368I267-I279 HydrophobicContact CG2-CG1 4.35Å; I267-I279 WeakPolarHBondContact CG2-O 3.01Å; I267-I279 PolarHBondContact O-N 3.25Å; T269-I279 HydrophobicContact CG2-CD1 3.96Å; K277-I279 PolarHBondContact O-N 3.44Å; I279-V282 HydrophobicContact CD1-CB 4.04Å; I279-V282 HydrophobicContact CD1-CG2 4.3Å; I279-V368 HydrophobicContact CD1-CG2 4.23Å; I279-V368 HydrophobicContact CG1-CG2 3.85Å; I279-V368 WeakPolarHBondContact O-CG2 3.05Å
280K90.6Very high86.9Confident108 Ų10877 Ų7747%0.4738%0.382SS..SBendtrans-87.7-25.5-179.6-50.9-54.4175.6-171.70112.6D263 S278 V368 Q369D263-K280 IonicContact OD1-NZ 2.68Å; D263-K280 IonicContact OD2-NZ 3.11Å; D263-K280 PolarHBondContact OD2-NZ 2.89Å; S278-K280 PolarHBondContact OG-NZ 3.49Å; K280-V368 CarbonylContact O-C 3.54Å; K280-V368 WeakPolarHBondContact O-CA 3.36Å; K280-Q369 PolarHBondContact O-N 3.12Å
281N92Very high86.8Confident92 Ų9272.7 Ų72.749%0.49237%0.369SS..EExtended strand (participates in β ladder)trans-127.8148.9172.1-63.7-2.4000110.5V368 Q369 I371N281-V368 VanDerWaalsContact C-CG2 3.43Å; N281-Q369 CarbonylContact C-O 3.58Å; N281-Q369 WeakPolarHBondContact CA-O 3.41Å; N281-I371 HydrophobicContact CB-CD1 4.42Å
282V91.6Very high86.9Confident7 Ų767.4 Ų67.44%0.04235%0.346CS..EExtended strand (participates in β ladder)trans-129.3140.2168.765.50000110.1T269 I279 W284 V368 Q369 V370 I371T269-V282 HydrophobicContact CG2-CB 4.45Å; T269-V282 HydrophobicContact CG2-CG2 3.33Å; I279-V282 HydrophobicContact CD1-CB 4.04Å; I279-V282 HydrophobicContact CD1-CG2 4.3Å; V282-W284 HydrophobicContact CG1-CD2 4.44Å; V282-W284 HydrophobicContact CG1-CH2 4.36Å; V282-W284 HydrophobicContact CG1-CZ2 4.1Å; V282-W284 HydrophobicContact CG2-CD2 4.29Å; V282-W284 HydrophobicContact CG2-CG 4.43Å; V282-W284 HydrophobicContact CG2-CZ2 4Å; V282-W284 VanDerWaalsContact CG2-NE1 3.3Å; V282-V368 HydrophobicContact CB-CG2 3.83Å; V282-V368 HydrophobicContact CG1-CG1 4.41Å; V282-V368 HydrophobicContact CG1-CG2 3.81Å; V282-Q369 PolarHBondContact N-O 2.89Å; V282-V370 HydrophobicContact CG1-CB 4.25Å; V282-V370 HydrophobicContact CG1-CG1 4.34Å; V282-V370 HydrophobicContact CG1-CG2 3.9Å; V282-I371 PolarHBondContact O-N 3.01Å
283T91.7Very high87.1Confident81 Ų8168 Ų6850%0.49735%0.347SS..EExtended strand (participates in β ladder)trans-114.9126176.3-54.90000110I371 L373T283-I371 VanDerWaalsContact CA-O 3.3Å; T283-I371 WeakPolarHBondContact CA-O 3.31Å; T283-I371 HydrophobicContact CG2-CG2 4.5Å; T283-L373 HydrophobicContact CG2-CD1 3.72Å; T283-L373 HydrophobicContact CG2-CD2 4.02Å; T283-L373 HydrophobicContact CG2-CG 3.68Å
284W91.5Very high87.5Confident26 Ų2667.2 Ų67.210%0.09834%0.338CS..EExtended strand (participates in β ladder)trans-126.2161.9179-67-31.7000110.1V282 A290 L292 I342 W346 I351 V370 I371 V372 L373V282-W284 HydrophobicContact CG1-CD2 4.44Å; V282-W284 HydrophobicContact CG1-CH2 4.36Å; V282-W284 HydrophobicContact CG1-CZ2 4.1Å; V282-W284 HydrophobicContact CG2-CD2 4.29Å; V282-W284 HydrophobicContact CG2-CG 4.43Å; V282-W284 HydrophobicContact CG2-CZ2 4Å; V282-W284 VanDerWaalsContact CG2-NE1 3.3Å; W284-A290 HydrophobicContact CD2-CB 3.8Å; W284-A290 VanDerWaalsContact CE2-CB 3.5Å; W284-A290 HydrophobicContact CE3-CB 4.37Å; W284-A290 HydrophobicContact CG-CB 4.11Å; W284-A290 HydrophobicContact CH2-CB 4.43Å; W284-A290 HydrophobicContact CZ2-CB 3.86Å; W284-L292 HydrophobicContact CH2-CB 4.49Å; W284-L292 HydrophobicContact CZ2-CB 4.37Å; W284-I342 HydrophobicContact CB-CG1 4.5Å; W284-I342 HydrophobicContact CB-CG2 4.21Å; W284-I342 HydrophobicContact CD2-CD1 4.45Å; W284-I342 HydrophobicContact CD2-CG1 4.19Å; W284-I342 HydrophobicContact CE3-CD1 3.58Å; W284-I342 HydrophobicContact CE3-CG1 3.71Å; W284-I342 HydrophobicContact CE3-CG2 4.1Å; W284-I342 HydrophobicContact CZ3-CD1 3.65Å; W284-I342 HydrophobicContact CZ3-CG1 4.29Å; W284-W346 HydrophobicContact CZ3-CE3 4.17Å; W284-W346 HydrophobicContact CZ3-CZ3 4.46Å; W284-I351 HydrophobicContact CH2-CD1 4.15Å; W284-I351 HydrophobicContact CZ3-CD1 4.36Å; W284-V370 HydrophobicContact CD2-CG1 4.34Å; W284-V370 HydrophobicContact CE3-CG1 3.47Å; W284-V370 VanDerWaalsContact CE3-CG1 3.47Å; W284-V370 HydrophobicContact CZ3-CG1 3.74Å; W284-V370 HydrophobicContact CZ3-CG2 4.03Å; W284-I371 PolarHBondContact N-O 3.39Å; W284-V372 CarbonylContact O-C 3.47Å; W284-V372 WeakPolarHBondContact O-CA 3.39Å; W284-L373 PolarHBondContact O-N 3.12Å
285R90Very high88.1Confident142 Ų14261.3 Ų61.354%0.53631%0.306SS..EExtended strand (participates in β ladder)trans-104145.4172.9-78.1177.8161.2175-7.6109.9A288 L373 D449R285-A288 HydrophobicContact CB-CB 4.25Å; R285-A288 WeakPolarHBondContact O-CB 3.3Å; R285-A288 PolarHBondContact O-N 3.29Å; R285-L373 HydrophobicContact CG-CB 4.12Å; R285-L373 HydrophobicContact CG-CD1 4.08Å; R285-D449 IonicContact NH2-OD2 2.77Å; R285-D449 PolarHBondContact NH2-OD2 3.38Å
286E88.5Confident88.3Confident73 Ų7353.7 Ų53.734%0.34127%0.265SS..THydrogen-bonded Turntrans-57.9136.5171.1177163.4-107.200111.1A288 I342 Q344 V372 L373E286-A288 PolarHBondContact O-N 2.83Å; E286-I342 CarbonylContact C-O 3.4Å; E286-I342 WeakPolarHBondContact CA-O 3.44Å; E286-Q344 PolarHBondContact OE1-N 3.18Å; E286-V372 HydrophobicContact CB-CG1 4.26Å; E286-L373 PolarHBondContact N-O 2.91Å
287G86.7Confident87.8Confident54 Ų5455.1 Ų55.156%0.55727%0.27SS*.THydrogen-bonded Turntrans76.6-8.7-172.300000114.7I342G287-I342 PolarHBondContact N-O 3.37Å
288A85.4Confident87Confident35 Ų3555.6 Ų55.629%0.28927%0.268SS..  trans-71.4143.3173.500000110.7R285 E286 I342R285-A288 HydrophobicContact CB-CB 4.25Å; R285-A288 WeakPolarHBondContact O-CB 3.3Å; R285-A288 PolarHBondContact O-N 3.29Å; E286-A288 PolarHBondContact O-N 2.83Å; A288-I342 PolarHBondContact O-N 2.86Å; A288-I342 VanDerWaalsContact O-N 3.11Å
289R84.3Confident86Confident171 Ų17158.1 Ų58.165%0.64528%0.279SS*.EExtended strand (participates in β ladder)trans-84.4142162.5-59.5-161.9-171.5-176.51.2108.8E339R289-E339 HydrophobicContact CB-CG 3.7Å; R289-E339 WeakPolarHBondContact CB-OE1 3.5Å; R289-E339 WeakPolarHBondContact CD-OE1 3.19Å; R289-E339 VanDerWaalsContact CD-OE2 3.26Å; R289-E339 WeakPolarHBondContact CD-OE2 3.5Å; R289-E339 HydrophobicContact CG-CG 4.19Å; R289-E339 IonicContact CZ-OE2 3.5Å; R289-E339 IonicContact NE-OE2 3.28Å; R289-E339 IonicContact NH1-OE1 3.35Å; R289-E339 IonicContact NH1-OE2 2.7Å; R289-E339 PolarHBondContact NH1-OE2 2.9Å
290A82.1Confident84.6Confident11 Ų1160.9 Ų60.99%0.09131%0.306CS..EExtended strand (participates in β ladder)trans-140.8154.4-174.100000112.4W284 I342W284-A290 HydrophobicContact CD2-CB 3.8Å; W284-A290 VanDerWaalsContact CE2-CB 3.5Å; W284-A290 HydrophobicContact CE3-CB 4.37Å; W284-A290 HydrophobicContact CG-CB 4.11Å; W284-A290 HydrophobicContact CH2-CB 4.43Å; W284-A290 HydrophobicContact CZ2-CB 3.86Å; A290-I342 HydrophobicContact CB-CD1 4.44Å; A290-I342 HydrophobicContact CB-CG1 4.01Å
291H86.4Confident83.4Confident75 Ų7557.2 Ų57.235%0.34729%0.293SS..EExtended strand (participates in β ladder)trans-122145.1171.5-55.2-45.4000110.2Y293 V336 E339H291-Y293 HydrophobicContact CB-CD2 4.5Å; H291-Y293 HydrophobicContact CB-CE2 3.78Å; H291-V336 HydrophobicContact CB-CG2 4.08Å; H291-E339 IonicContact CE1-OE1 2.67Å
292L90.1Very high82.6Confident1 Ų153.4 Ų53.41%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-134.7111.3171.9-169.868.5000108I267 W284 F306 V336 L337 I351 V368I267-L292 HydrophobicContact CD1-CD2 3.82Å; I267-L292 HydrophobicContact CD1-CG 4.15Å; I267-L292 HydrophobicContact CG1-CD1 4.04Å; I267-L292 HydrophobicContact CG1-CD2 4.16Å; I267-L292 HydrophobicContact CG1-CG 3.91Å; W284-L292 HydrophobicContact CH2-CB 4.49Å; W284-L292 HydrophobicContact CZ2-CB 4.37Å; L292-F306 HydrophobicContact CD2-CE1 4.3Å; L292-F306 WeakPolarHBondContact O-CZ 3.3Å; L292-V336 WeakPolarHBondContact O-CA 3.39Å; L292-L337 HydrophobicContact CB-CB 4.02Å; L292-L337 HydrophobicContact CB-CD2 4.48Å; L292-L337 PolarHBondContact O-N 3.07Å; L292-I351 HydrophobicContact CD2-CB 4.15Å; L292-I351 HydrophobicContact CD2-CD1 3.81Å; L292-I351 HydrophobicContact CD2-CG2 3.8Å; L292-V368 HydrophobicContact CD1-CG1 4.21Å; L292-V368 HydrophobicContact CD2-CG1 3.78Å
293Y91.1Very high82Confident31 Ų3155 Ų5512%0.12229%0.287CS..EExtended strand (participates in β ladder)trans-89.8142.3179-57.2-90000109.4I267 H268 R270 K271 H291 Y334 I335 V336I267-Y293 CarbonylContact C-O 3.53Å; I267-Y293 WeakPolarHBondContact CA-O 3.11Å; I267-Y293 WeakPolarHBondContact CG1-O 3.41Å; H268-Y293 PolarHBondContact N-O 2.89Å; H268-Y293 PolarHBondContact O-N 3.2Å; R270-Y293 WeakPolarHBondContact O-CD2 3.48Å; K271-Y293 HydrophobicContact CG-CE1 4.02Å; H291-Y293 HydrophobicContact CB-CD2 4.5Å; H291-Y293 HydrophobicContact CB-CE2 3.78Å; Y293-Y334 AromaticContact CD1-CD2 3.77Å; Y293-Y334 HydrophobicContact CD1-CD2 3.77Å; Y293-Y334 AromaticContact CD1-CE2 3.65Å; Y293-Y334 HydrophobicContact CD1-CE2 3.65Å; Y293-Y334 HydrophobicContact CE1-CD2 4.49Å; Y293-Y334 AromaticContact CE1-CE2 3.92Å; Y293-Y334 HydrophobicContact CE1-CE2 3.92Å; Y293-I335 CarbonylContact C-O 3.15Å; Y293-I335 WeakPolarHBondContact CA-O 3.39Å; Y293-V336 HydrophobicContact CD1-CB 4.02Å; Y293-V336 HydrophobicContact CD1-CG2 3.8Å; Y293-V336 HydrophobicContact CE1-CB 4.11Å; Y293-V336 HydrophobicContact CE1-CG2 3.65Å; Y293-V336 HydrophobicContact CG-CG2 4.36Å
294C91.2Very high81.8Confident0 Ų052.1 Ų52.10%027%0.267CS..EExtended strand (participates in β ladder)trans-133131.9168.4177.60000110.4I265 I266 I267 F306 Y334 I335 C353I265-C294 WeakPolarHBondContact CG2-SG 3.37Å; I266-C294 WeakPolarHBondContact O-CA 3.46Å; I267-C294 HydrophobicContact CG1-CB 4.41Å; C294-F306 HydrophobicContact CB-CE1 3.83Å; C294-F306 HydrophobicContact CB-CZ 3.67Å; C294-Y334 CarbonylContact O-C 3.45Å; C294-Y334 VanDerWaalsContact O-CA 3.26Å; C294-Y334 WeakPolarHBondContact O-CA 3.28Å; C294-Y334 WeakPolarHBondContact O-CB 3.38Å; C294-I335 HydrophobicContact CB-CG1 3.99Å; C294-I335 PolarHBondContact N-O 2.82Å; C294-I335 PolarHBondContact O-N 3.45Å; C294-C353 HydrophobicContact CB-CB 3.68Å; C294-C353 WeakPolarHBondContact CB-SG 3.33Å; C294-C353 WeakPolarHBondContact SG-CB 3.08Å; C294-C353 CovalentContact SG-SG 2.01Å; C294-C353 PolarHBondContact SG-SG 3.02Å
295W89.4Confident81.6Confident2 Ų254.4 Ų54.41%0.00828%0.284CS..EExtended strand (participates in β ladder)trans-147165.2-18071.397.3000112.1I265 I266 H268 P272 L276 F332 N333I265-W295 CarbonylContact C-O 3.55Å; I265-W295 WeakPolarHBondContact CA-O 3.48Å; I266-W295 HydrophobicContact CB-CD2 4.03Å; I266-W295 HydrophobicContact CB-CE3 4.39Å; I266-W295 HydrophobicContact CB-CH2 4.16Å; I266-W295 HydrophobicContact CB-CZ2 3.76Å; I266-W295 HydrophobicContact CB-CZ3 4.46Å; I266-W295 HydrophobicContact CD1-CZ2 3.91Å; I266-W295 HydrophobicContact CG1-CZ2 4.44Å; I266-W295 HydrophobicContact CG2-CD2 4.26Å; I266-W295 HydrophobicContact CG2-CE3 4.24Å; I266-W295 HydrophobicContact CG2-CH2 3.35Å; I266-W295 HydrophobicContact CG2-CZ2 3.33Å; I266-W295 HydrophobicContact CG2-CZ3 3.82Å; I266-W295 PolarHBondContact N-O 3.4Å; I266-W295 PolarHBondContact O-N 3.26Å; H268-W295 HydrophobicContact CB-CH2 3.75Å; H268-W295 HydrophobicContact CB-CZ3 3.73Å; P272-W295 HydrophobicContact CB-CD2 3.73Å; P272-W295 HydrophobicContact CB-CE3 4.09Å; P272-W295 HydrophobicContact CB-CG 3.96Å; P272-W295 HydrophobicContact CB-CZ2 4.29Å; P272-W295 HydrophobicContact CG-CB 4.23Å; P272-W295 HydrophobicContact CG-CD2 3.85Å; P272-W295 HydrophobicContact CG-CE3 3.84Å; P272-W295 HydrophobicContact CG-CG 4.06Å; P272-W295 HydrophobicContact CG-CZ3 4.42Å; L276-W295 HydrophobicContact CB-CH2 3.97Å; L276-W295 HydrophobicContact CB-CZ2 3.89Å; L276-W295 HydrophobicContact CD1-CH2 3.74Å; L276-W295 HydrophobicContact CD1-CZ2 4.16Å; W295-F332 AromaticContact CD1-CD1 3.97Å; W295-N333 WeakPolarHBondContact CB-O 3.48Å
296S84.8Confident81.6Confident0 Ų048.7 Ų48.70%026%0.263CS..EExtended strand (participates in β ladder)trans-103150.8174.3-177.10000110.5D264 R298 H302 F304D264-S296 CarbonylContact O-C 3.57Å; D264-S296 VanDerWaalsContact O-CA 3.22Å; D264-S296 WeakPolarHBondContact O-CA 3.17Å; D264-S296 PolarHBondContact O-OG 3.08Å; S296-R298 WeakPolarHBondContact OG-CA 3.31Å; S296-R298 PolarHBondContact OG-N 2.93Å; S296-R298 PolarHBondContact OG-O 3.19Å; S296-R298 VanDerWaalsContact OG-O 3.13Å; S296-H302 WeakPolarHBondContact CB-ND1 3.17Å; S296-H302 PolarHBondContact OG-CE1 3.29Å; S296-H302 PolarHBondContact OG-ND1 3.19Å; S296-F304 VanDerWaalsContact CB-CZ 3.45Å; S296-F304 VanDerWaalsContact N-CE1 3.35Å; S296-F304 VanDerWaalsContact N-CZ 3.28Å
297K74.7Confident81.6Confident66 Ų6646.5 Ų46.529%0.28726%0.258SS..SBendtrans-73.5-31.5160.8-63.2-163-173.9-162.30111.9D262 D264 I266 Q299D262-K297 IonicContact OD1-NZ 3.58Å; D262-K297 PolarHBondContact OD1-NZ 3.46Å; D262-K297 IonicContact OD2-NZ 2.78Å; D262-K297 PolarHBondContact OD2-NZ 2.86Å; D264-K297 PolarHBondContact O-N 3.42Å; I266-K297 HydrophobicContact CD1-CG 4.32Å; K297-Q299 VanDerWaalsContact C-N 3.35Å; K297-Q299 PolarHBondContact O-N 3.21Å; K297-Q299 PolarHBondContact O-NE2 3.06Å
298R68Low81.7Confident152 Ų15245.7 Ų45.757%0.57424%0.243SC*.SBendtrans-88.270.8174.6-51-175.4-162.4-1557.6109D264 S296 A300D264-R298 VanDerWaalsContact CG-NE 3.3Å; D264-R298 IonicContact OD1-CZ 2.7Å; D264-R298 IonicContact OD1-NE 3.1Å; D264-R298 PolarHBondContact OD1-NE 2.83Å; D264-R298 IonicContact OD1-NH2 2.68Å; D264-R298 IonicContact OD2-CZ 2.64Å; D264-R298 IonicContact OD2-NE 2.67Å; D264-R298 PolarHBondContact OD2-NE 3.24Å; D264-R298 IonicContact OD2-NH2 3.81Å; D264-R298 PolarHBondContact OD2-NH2 2.86Å; S296-R298 WeakPolarHBondContact OG-CA 3.31Å; S296-R298 PolarHBondContact OG-N 2.93Å; S296-R298 PolarHBondContact OG-O 3.19Å; S296-R298 VanDerWaalsContact OG-O 3.13Å; R298-A300 VanDerWaalsContact C-N 3.28Å; R298-A300 PolarHBondContact O-N 3.19Å; R298-A300 VanDerWaalsContact O-N 3.14Å
299Q64.5Low81.9Confident62 Ų6248.9 Ų48.929%0.2925%0.25SS..THydrogen-bonded Turntrans-61.7-29.8-159-57.1105-2.800114.8K297 P331 N333K297-Q299 VanDerWaalsContact C-N 3.35Å; K297-Q299 PolarHBondContact O-N 3.21Å; K297-Q299 PolarHBondContact O-NE2 3.06Å; Q299-P331 WeakPolarHBondContact CG-O 3.4Å; Q299-P331 PolarHBondContact NE2-O 2.79Å; Q299-N333 HydrophobicContact CB-CB 4.24Å; Q299-N333 PolarHBondContact O-ND2 3.13Å
300A61.9Low82Confident90 Ų9047.7 Ų47.774%0.74426%0.257SS*.THydrogen-bonded Turntrans-79.5-22.2-163.800000116.4R298R298-A300 VanDerWaalsContact C-N 3.28Å; R298-A300 PolarHBondContact O-N 3.19Å; R298-A300 VanDerWaalsContact O-N 3.14Å
301T66Low82.3Confident31 Ų3148.7 Ų48.719%0.1926%0.263CS..SBendtrans-118.14.3-163.980.60000114.8D357 H358 Y359T301-D357 VanDerWaalsContact CB-OD1 3.28Å; T301-D357 WeakPolarHBondContact CB-OD1 3.48Å; T301-D357 PolarHBondContact OG1-OD1 3.47Å; T301-H358 PolarHBondContact O-CD2 3.45Å; T301-H358 PolarHBondContact O-N 2.91Å; T301-Y359 HydrophobicContact CG2-CD2 3.86Å; T301-Y359 HydrophobicContact CG2-CE2 3.56Å
302H74.3Confident82.4Confident11 Ų1148 Ų485%0.05126%0.262CS..EExtended strand (participates in β ladder)trans-109.1119.1-166.9-81.8-165.3000113.2S296 F304 A355 K356S296-H302 WeakPolarHBondContact CB-ND1 3.17Å; S296-H302 PolarHBondContact OG-CE1 3.29Å; S296-H302 PolarHBondContact OG-ND1 3.19Å; H302-F304 HydrophobicContact CB-CE1 4.19Å; H302-F304 HydrophobicContact CB-CE2 4.06Å; H302-F304 HydrophobicContact CB-CZ 3.77Å; H302-F304 WeakPolarHBondContact O-CD2 3.44Å; H302-F304 VanDerWaalsContact O-CE2 3.22Å; H302-F304 WeakPolarHBondContact O-CE2 3.25Å; H302-A355 HydrophobicContact CB-CB 4Å; H302-A355 WeakPolarHBondContact ND1-CB 3.38Å; H302-K356 WeakPolarHBondContact CA-O 3.39Å
303A80.4Confident82.3Confident42 Ų4251.9 Ų51.935%0.34729%0.294SS..EExtended strand (participates in β ladder)trans-86.711916600000110A355 K356A303-A355 WeakPolarHBondContact O-CA 3.22Å; A303-K356 PolarHBondContact N-O 3.45Å; A303-K356 PolarHBondContact O-N 3.12Å
304F85.7Confident82.1Confident19 Ų1956.2 Ų56.28%0.08331%0.313CS..EExtended strand (participates in β ladder)trans-96.7145.8-175.6-55-90.7000112.8S296 H302 L326 I335 K354 A355S296-F304 VanDerWaalsContact CB-CZ 3.45Å; S296-F304 VanDerWaalsContact N-CE1 3.35Å; S296-F304 VanDerWaalsContact N-CZ 3.28Å; H302-F304 HydrophobicContact CB-CE1 4.19Å; H302-F304 HydrophobicContact CB-CE2 4.06Å; H302-F304 HydrophobicContact CB-CZ 3.77Å; H302-F304 WeakPolarHBondContact O-CD2 3.44Å; H302-F304 VanDerWaalsContact O-CE2 3.22Å; H302-F304 WeakPolarHBondContact O-CE2 3.25Å; F304-L326 HydrophobicContact CD2-CD1 3.74Å; F304-L326 HydrophobicContact CE2-CD1 4Å; F304-I335 HydrophobicContact CB-CB 4.42Å; F304-I335 HydrophobicContact CB-CD1 3.52Å; F304-I335 HydrophobicContact CB-CG1 3.69Å; F304-I335 HydrophobicContact CB-CG2 3.91Å; F304-I335 HydrophobicContact CG-CG1 4.4Å; F304-K354 CarbonylContact C-O 3.57Å; F304-K354 WeakPolarHBondContact CA-O 3.15Å; F304-A355 HydrophobicContact CD1-CB 3.8Å; F304-A355 HydrophobicContact CE1-CB 3.9Å
305T87.7Confident81.9Confident75 Ų7556.2 Ų56.246%0.4631%0.313SS..EExtended strand (participates in β ladder)trans-142.8143.3170.3500000110.9K354T305-K354 PolarHBondContact N-O 2.86Å; T305-K354 PolarHBondContact O-N 3.32Å
306F89.8Confident81.9Confident21 Ų2162.5 Ų62.59%0.09234%0.341CS..EExtended strand (participates in β ladder)trans-86.7141.5163.2-73.3-66.3000110.6I267 L292 C294 I319 P324 I335 L337 I351 C353I267-F306 HydrophobicContact CD1-CE1 4.07Å; I267-F306 HydrophobicContact CG1-CE1 4.48Å; L292-F306 HydrophobicContact CD2-CE1 4.3Å; L292-F306 WeakPolarHBondContact O-CZ 3.3Å; C294-F306 HydrophobicContact CB-CE1 3.83Å; C294-F306 HydrophobicContact CB-CZ 3.67Å; F306-I319 HydrophobicContact CB-CG2 3.86Å; F306-P324 HydrophobicContact CD2-CB 4.31Å; F306-P324 HydrophobicContact CD2-CG 4.1Å; F306-I335 HydrophobicContact CD2-CD1 3.55Å; F306-I335 HydrophobicContact CD2-CG1 4.26Å; F306-I335 HydrophobicContact CE2-CB 4.34Å; F306-I335 HydrophobicContact CE2-CD1 3.48Å; F306-I335 VanDerWaalsContact CE2-CD1 3.48Å; F306-I335 HydrophobicContact CE2-CG1 3.67Å; F306-I335 HydrophobicContact CG-CD1 4.17Å; F306-I335 HydrophobicContact CZ-CD1 4.08Å; F306-I335 HydrophobicContact CZ-CG1 4.07Å; F306-L337 HydrophobicContact CB-CD1 4.38Å; F306-L337 HydrophobicContact CD2-CB 4.21Å; F306-L337 HydrophobicContact CD2-CD1 3.96Å; F306-L337 HydrophobicContact CE2-CB 3.93Å; F306-L337 HydrophobicContact CG-CD1 4.18Å; F306-L337 HydrophobicContact CZ-CB 4.29Å; F306-I351 HydrophobicContact CD1-CG2 3.87Å; F306-I351 HydrophobicContact CE1-CG2 4.44Å; F306-C353 HydrophobicContact CD1-CB 4.18Å; F306-C353 HydrophobicContact CE1-CB 4.04Å
307A88.5Confident81.9Confident28 Ų2868.9 Ų68.923%0.23137%0.371CS..EExtended strand (participates in β ladder)trans-138.2166.2173.100000109.1V352A307-V352 HydrophobicContact CB-CB 4.43Å; A307-V352 PolarHBondContact N-O 2.97Å; A307-V352 PolarHBondContact O-N 3.29Å; A307-V352 VanDerWaalsContact O-O 3.12Å
308C89.8Confident82.4Confident36 Ų3666.9 Ų66.924%0.24337%0.366CS..EExtended strand (participates in β ladder)trans-134.7131.3-172.8-152.20000110.8C311 I319C308-C311 HydrophobicContact CB-CB 3.77Å; C308-C311 WeakPolarHBondContact CB-SG 3.39Å; C308-C311 WeakPolarHBondContact SG-CB 3.46Å; C308-C311 CovalentContact SG-SG 2.01Å; C308-C311 PolarHBondContact SG-SG 2.84Å; C308-I319 HydrophobicContact CB-CD1 3.83Å; C308-I319 WeakPolarHBondContact SG-CD1 3.22Å
309K89Confident83.3Confident102 Ų10260 Ų6044%0.44334%0.341SS..EExtended strand (participates in β ladder)trans-109.5136.8174.4-72.6176.9178.31740109.8C311 T350 V352K309-C311 VanDerWaalsContact C-N 3.33Å; K309-C311 PolarHBondContact N-SG 3.46Å; K309-C311 VanDerWaalsContact N-SG 3.4Å; K309-C311 PolarHBondContact O-SG 3.05Å; K309-T350 PolarHBondContact N-O 3.28Å; K309-T350 PolarHBondContact O-N 3.12Å; K309-T350 VanDerWaalsContact O-N 3.08Å; K309-V352 HydrophobicContact CD-CG2 3.76Å; K309-V352 HydrophobicContact CG-CG2 3.88Å
310N87.1Confident84.1Confident147 Ų14761 Ų6179%0.78636%0.355SS*.SBendtrans62.434.2-178.6-50.4-14000113.8
311C87.7Confident84.8Confident32 Ų3260.7 Ų60.722%0.21635%0.347CS..  trans-104.7139.1-171.7-48.40000111.7C308 K309 V315 I349C308-C311 HydrophobicContact CB-CB 3.77Å; C308-C311 WeakPolarHBondContact CB-SG 3.39Å; C308-C311 WeakPolarHBondContact SG-CB 3.46Å; C308-C311 CovalentContact SG-SG 2.01Å; C308-C311 PolarHBondContact SG-SG 2.84Å; K309-C311 VanDerWaalsContact C-N 3.33Å; K309-C311 PolarHBondContact N-SG 3.46Å; K309-C311 VanDerWaalsContact N-SG 3.4Å; K309-C311 PolarHBondContact O-SG 3.05Å; C311-V315 HydrophobicContact CB-CB 4.36Å; C311-V315 HydrophobicContact CB-CG1 3.97Å; C311-I349 HydrophobicContact CB-CG2 4.46Å
312N89.5Confident85Confident61 Ų6159.5 Ų59.533%0.32634%0.34SS..  trans-69.3168.7172.46864.5000111.3K314 V315 K316 S345N312-K314 PolarHBondContact O-N 2.86Å; N312-K314 WeakPolarHBondContact OD1-CB 3.32Å; N312-K314 PolarHBondContact OD1-N 2.81Å; N312-K314 VanDerWaalsContact OD1-N 3.08Å; N312-V315 WeakPolarHBondContact ND2-CG2 3.49Å; N312-V315 PolarHBondContact O-N 2.89Å; N312-V315 PolarHBondContact OD1-N 3.06Å; N312-K316 WeakPolarHBondContact O-CB 3.24Å; N312-K316 PolarHBondContact O-N 3.09Å; N312-S345 WeakPolarHBondContact ND2-CB 3.38Å; N312-S345 PolarHBondContact ND2-O 3.11Å
313A88.2Confident84.6Confident82 Ų8264.9 Ų64.968%0.67837%0.369SS*.Hα-helixtrans-56.6-47.7-177.500000113V315 K316 E317A313-V315 PolarHBondContact O-N 2.9Å; A313-K316 PolarHBondContact O-N 3.37Å; A313-E317 VanDerWaalsContact O-CB 3.3Å; A313-E317 WeakPolarHBondContact O-CB 3.37Å; A313-E317 PolarHBondContact O-N 3.44Å
314K86.7Confident84Confident121 Ų12164.9 Ų64.953%0.52637%0.365SS..Hα-helixtrans-59.6-43.8-179.7-176.4-171.3-178.3-173.20112.5N312 A318 D343N312-K314 PolarHBondContact O-N 2.86Å; N312-K314 WeakPolarHBondContact OD1-CB 3.32Å; N312-K314 PolarHBondContact OD1-N 2.81Å; N312-K314 VanDerWaalsContact OD1-N 3.08Å; K314-A318 WeakPolarHBondContact O-CB 3.1Å; K314-A318 PolarHBondContact O-N 3.43Å; K314-D343 IonicContact NZ-OD2 3.57Å; K314-D343 PolarHBondContact NZ-OD2 2.92Å
315V87.1Confident83.3Confident0 Ų068.2 Ų68.20%039%0.388CS..Hα-helixtrans-70-40177.8170.30000111.3C311 N312 A313 A318 I319 W346 I349C311-V315 HydrophobicContact CB-CB 4.36Å; C311-V315 HydrophobicContact CB-CG1 3.97Å; N312-V315 WeakPolarHBondContact ND2-CG2 3.49Å; N312-V315 PolarHBondContact O-N 2.89Å; N312-V315 PolarHBondContact OD1-N 3.06Å; A313-V315 PolarHBondContact O-N 2.9Å; V315-A318 PolarHBondContact O-N 3.02Å; V315-I319 HydrophobicContact CG1-CD1 3.89Å; V315-I319 WeakPolarHBondContact O-CG1 3.45Å; V315-I319 PolarHBondContact O-N 3.3Å; V315-W346 HydrophobicContact CG1-CD2 4.22Å; V315-W346 HydrophobicContact CG1-CE3 4.23Å; V315-W346 HydrophobicContact CG1-CZ3 4.44Å; V315-W346 HydrophobicContact CG2-CD2 4.11Å; V315-W346 HydrophobicContact CG2-CG 3.97Å; V315-I349 HydrophobicContact CG1-CD1 3.48Å; V315-I349 VanDerWaalsContact CG1-CD1 3.48Å; V315-I349 HydrophobicContact CG1-CG2 4.47Å
316K88Confident82.9Confident134 Ų13468.3 Ų68.358%0.58339%0.385SS*.Hα-helixtrans-61.9-45.1174.5-175.1-172.5174.7-168.20110.9N312 A313 I319 S320N312-K316 WeakPolarHBondContact O-CB 3.24Å; N312-K316 PolarHBondContact O-N 3.09Å; A313-K316 PolarHBondContact O-N 3.37Å; K316-I319 PolarHBondContact O-N 2.98Å; K316-S320 WeakPolarHBondContact O-CB 3.22Å; K316-S320 PolarHBondContact O-N 3.21Å; K316-S320 PolarHBondContact O-OG 3.34Å
317E85.4Confident82.4Confident135 Ų13570.3 Ų70.363%0.63139%0.394SS*.Hα-helixtrans-62-44.8176-178.1175.9-158.600111.8A313 I319 S320 S321A313-E317 VanDerWaalsContact O-CB 3.3Å; A313-E317 WeakPolarHBondContact O-CB 3.37Å; A313-E317 PolarHBondContact O-N 3.44Å; E317-I319 VanDerWaalsContact C-N 3.32Å; E317-I319 PolarHBondContact O-N 2.93Å; E317-S320 PolarHBondContact O-N 2.99Å; E317-S321 VanDerWaalsContact O-CB 3.28Å; E317-S321 WeakPolarHBondContact O-CB 3.41Å; E317-S321 PolarHBondContact O-N 3.34Å; E317-S321 PolarHBondContact O-OG 2.75Å
318A85.3Confident81.9Confident23 Ų2375.8 Ų75.819%0.1941%0.413CS..Hα-helixtrans-59.1-40.8175.300000112.4K314 V315 S321 S322 T340 W346K314-A318 WeakPolarHBondContact O-CB 3.1Å; K314-A318 PolarHBondContact O-N 3.43Å; V315-A318 PolarHBondContact O-N 3.02Å; A318-S321 PolarHBondContact O-OG 2.9Å; A318-S322 WeakPolarHBondContact O-CB 3.45Å; A318-S322 PolarHBondContact O-N 2.75Å; A318-S322 PolarHBondContact O-OG 2.88Å; A318-T340 HydrophobicContact CB-CG2 4.39Å; A318-W346 HydrophobicContact CB-CH2 4.32Å; A318-W346 HydrophobicContact CB-CZ2 3.81Å
319I86Confident81.1Confident8 Ų877.1 Ų77.14%0.04142%0.418CS..Hα-helixtrans-77.2-29.3179.3-66.3165.1000112.4F306 C308 V315 K316 E317 S322 L337 W346 I351F306-I319 HydrophobicContact CB-CG2 3.86Å; C308-I319 HydrophobicContact CB-CD1 3.83Å; C308-I319 WeakPolarHBondContact SG-CD1 3.22Å; V315-I319 HydrophobicContact CG1-CD1 3.89Å; V315-I319 WeakPolarHBondContact O-CG1 3.45Å; V315-I319 PolarHBondContact O-N 3.3Å; K316-I319 PolarHBondContact O-N 2.98Å; E317-I319 VanDerWaalsContact C-N 3.32Å; E317-I319 PolarHBondContact O-N 2.93Å; I319-S322 WeakPolarHBondContact CA-OG 3.34Å; I319-S322 PolarHBondContact O-OG 2.87Å; I319-L337 HydrophobicContact CB-CD1 4.4Å; I319-L337 HydrophobicContact CG1-CD1 4.05Å; I319-L337 HydrophobicContact CG2-CD1 4.16Å; I319-W346 HydrophobicContact CD1-CH2 4.18Å; I319-W346 HydrophobicContact CD1-CZ3 3.96Å; I319-W346 HydrophobicContact CG1-CH2 3.85Å; I319-W346 HydrophobicContact CG1-CZ3 4.09Å; I319-I351 HydrophobicContact CD1-CG1 4.26Å
320S81.3Confident80.3Confident84 Ų8475.5 Ų75.559%0.58743%0.43SS*.Hα-helixtrans-82.8-27175.1-65.80000113.8K316 E317K316-S320 WeakPolarHBondContact O-CB 3.22Å; K316-S320 PolarHBondContact O-N 3.21Å; K316-S320 PolarHBondContact O-OG 3.34Å; E317-S320 PolarHBondContact O-N 2.99Å
321S77.6Confident79.7Confident83 Ų8372.4 Ų72.458%0.5842%0.418SS*.Hα-helixtrans-84-23.7173.856.50000112.7E317 A318 N323E317-S321 VanDerWaalsContact O-CB 3.28Å; E317-S321 WeakPolarHBondContact O-CB 3.41Å; E317-S321 PolarHBondContact O-N 3.34Å; E317-S321 PolarHBondContact O-OG 2.75Å; A318-S321 PolarHBondContact O-OG 2.9Å; S321-N323 PolarHBondContact O-N 2.82Å
322S70.6Confident79.3Confident6 Ų672 Ų724%0.04241%0.412CS..SBendtrans-69.376.7162.264.30000110.6A318 I319 P324 L337A318-S322 WeakPolarHBondContact O-CB 3.45Å; A318-S322 PolarHBondContact O-N 2.75Å; A318-S322 PolarHBondContact O-OG 2.88Å; I319-S322 WeakPolarHBondContact CA-OG 3.34Å; I319-S322 PolarHBondContact O-OG 2.87Å; S322-P324 WeakPolarHBondContact O-CD 3.45Å; S322-P324 VanDerWaalsContact O-CG 3.29Å; S322-P324 WeakPolarHBondContact O-CG 3.49Å; S322-L337 VanDerWaalsContact OG-CD1 3.31Å; S322-L337 WeakPolarHBondContact OG-CD1 3.36Å
323N64.7Low78.9Confident124 Ų12470.6 Ų70.666%0.66341%0.405SS*.  trans-55.1107.6167.7-87.7-30.7000108.8S321 T325 N338S321-N323 PolarHBondContact O-N 2.82Å; N323-T325 PolarHBondContact O-N 3.11Å; N323-T325 VanDerWaalsContact O-N 3.12Å; N323-N338 PolarHBondContact O-ND2 3.41Å
324P68.1Low78.8Confident41 Ų4167.1 Ų67.127%0.26638%0.375SS..  trans-82.898.9-173.5-4.924.1000108.1F306 S322 L326 I335F306-P324 HydrophobicContact CD2-CB 4.31Å; F306-P324 HydrophobicContact CD2-CG 4.1Å; S322-P324 WeakPolarHBondContact O-CD 3.45Å; S322-P324 VanDerWaalsContact O-CG 3.29Å; S322-P324 WeakPolarHBondContact O-CG 3.49Å; P324-L326 PolarHBondContact O-N 3.21Å; P324-I335 HydrophobicContact CB-CB 3.65Å; P324-I335 HydrophobicContact CB-CD1 3.88Å; P324-I335 HydrophobicContact CB-CG1 4.32Å; P324-I335 HydrophobicContact CB-CG2 3.89Å; P324-I335 HydrophobicContact CG-CD1 4.23Å
325T71.1Confident78.9Confident90 Ų9061.5 Ų61.555%0.55235%0.35SS*.  trans-64.3135.5172.5410000109.8N323 Q327N323-T325 PolarHBondContact O-N 3.11Å; N323-T325 VanDerWaalsContact O-N 3.12Å; T325-Q327 PolarHBondContact O-N 3.24Å
326L78.5Confident79Confident76 Ų7662 Ų6240%0.39835%0.354SS..EExtended strand (participates in β ladder)trans-69.1120.5173.2-169.870.7000108.5F304 P324 F328 N333 I335F304-L326 HydrophobicContact CD2-CD1 3.74Å; F304-L326 HydrophobicContact CE2-CD1 4Å; P324-L326 PolarHBondContact O-N 3.21Å; L326-F328 HydrophobicContact CD2-CE1 4.32Å; L326-F328 HydrophobicContact CD2-CE2 4.29Å; L326-F328 HydrophobicContact CD2-CZ 3.72Å; L326-F328 HydrophobicContact CG-CE2 4.31Å; L326-F328 HydrophobicContact CG-CZ 4.17Å; L326-N333 HydrophobicContact CD1-CB 4.31Å; L326-I335 HydrophobicContact CD1-CG2 4.21Å
327Q80.8Confident78.9Confident64 Ų6455.8 Ų55.830%0.29933%0.327SS..EExtended strand (participates in β ladder)trans-108.4149.4179.1-66.6179.520.400109.9T325 Y334T325-Q327 PolarHBondContact O-N 3.24Å; Q327-Y334 HydrophobicContact CB-CD1 4.06Å; Q327-Y334 HydrophobicContact CB-CD2 4.15Å; Q327-Y334 HydrophobicContact CB-CE1 3.58Å; Q327-Y334 HydrophobicContact CB-CE2 3.69Å; Q327-Y334 HydrophobicContact CB-CG 4.34Å; Q327-Y334 VanDerWaalsContact CB-CZ 3.41Å; Q327-Y334 HydrophobicContact CG-CE2 4.4Å; Q327-Y334 PolarHBondContact N-O 2.91Å; Q327-Y334 VanDerWaalsContact O-CD1 3.22Å; Q327-Y334 WeakPolarHBondContact O-CD1 3.39Å; Q327-Y334 PolarHBondContact O-N 2.89Å; Q327-Y334 PolarHBondContact OE1-OH 3.33Å; Q327-Y334 VanDerWaalsContact OE1-OH 3.1Å
328F77.4Confident78.4Confident143 Ų14352.4 Ų52.463%0.62731%0.313SS*.EExtended strand (participates in β ladder)trans-121.6117.8-176.9-59.2-94.8000107.5L326 F332 N333L326-F328 HydrophobicContact CD2-CE1 4.32Å; L326-F328 HydrophobicContact CD2-CE2 4.29Å; L326-F328 HydrophobicContact CD2-CZ 3.72Å; L326-F328 HydrophobicContact CG-CE2 4.31Å; L326-F328 HydrophobicContact CG-CZ 4.17Å; F328-F332 WeakPolarHBondContact CA-O 3.13Å; F328-N333 WeakPolarHBondContact CD1-OD1 3.34Å; F328-N333 WeakPolarHBondContact CE1-OD1 3.38Å
329D72.5Confident77.6Confident64 Ų6456 Ų5634%0.34233%0.326SS..  trans-134.194177.5-166.4-13.1000108.3K271 F332 Y334K271-D329 WeakPolarHBondContact CE-OD2 3.5Å; K271-D329 IonicContact NZ-OD2 2.68Å; K271-D329 PolarHBondContact NZ-OD2 2.8Å; D329-F332 PolarHBondContact N-O 3.07Å; D329-F332 VanDerWaalsContact N-O 3.12Å; D329-F332 WeakPolarHBondContact O-CD2 3.41Å; D329-F332 PolarHBondContact O-N 3.17Å; D329-Y334 HydrophobicContact CB-CE1 3.58Å
330G73.8Confident77.2Confident68 Ų6856.9 Ų56.970%0.70133%0.332SS*.SBendtrans55.9-127.5-168.500000111.8F332G330-F332 PolarHBondContact O-N 2.78Å; G330-F332 VanDerWaalsContact O-N 3.09Å
331P74.4Confident77.3Confident82 Ų8257.5 Ų57.553%0.53233%0.332SS..SBendtrans-8336.3-179.238.2-37.5000112.8Q299Q299-P331 WeakPolarHBondContact CG-O 3.4Å; Q299-P331 PolarHBondContact NE2-O 2.79Å
332F78.3Confident77.8Confident22 Ų2253.6 Ų53.610%0.09630%0.304CS..  trans-135.1119.3-179.9-60.4-70.5000112.8P272 N274 W295 F328 D329 G330P272-F332 HydrophobicContact CB-CB 3.53Å; P272-F332 HydrophobicContact CB-CD1 3.79Å; P272-F332 HydrophobicContact CB-CD2 3.79Å; P272-F332 HydrophobicContact CB-CE1 4.47Å; P272-F332 HydrophobicContact CB-CE2 4.46Å; P272-F332 HydrophobicContact CB-CG 3.41Å; P272-F332 VanDerWaalsContact CB-CG 3.41Å; P272-F332 HydrophobicContact CG-CB 4.01Å; P272-F332 HydrophobicContact CG-CG 4.41Å; N274-F332 WeakPolarHBondContact OD1-CZ 3.24Å; W295-F332 AromaticContact CD1-CD1 3.97Å; F328-F332 WeakPolarHBondContact CA-O 3.13Å; D329-F332 PolarHBondContact N-O 3.07Å; D329-F332 VanDerWaalsContact N-O 3.12Å; D329-F332 WeakPolarHBondContact O-CD2 3.41Å; D329-F332 PolarHBondContact O-N 3.17Å; G330-F332 PolarHBondContact O-N 2.78Å; G330-F332 VanDerWaalsContact O-N 3.09Å
333N80.6Confident78.7Confident32 Ų3254.9 Ų54.917%0.17131%0.311CS..EExtended strand (participates in β ladder)trans-95.4118.1167.6-63.6-3000107.9W295 Q299 L326 F328W295-N333 WeakPolarHBondContact CB-O 3.48Å; Q299-N333 HydrophobicContact CB-CB 4.24Å; Q299-N333 PolarHBondContact O-ND2 3.13Å; L326-N333 HydrophobicContact CD1-CB 4.31Å; F328-N333 WeakPolarHBondContact CD1-OD1 3.34Å; F328-N333 WeakPolarHBondContact CE1-OD1 3.38Å
334Y86.5Confident79.9Confident9 Ų953.2 Ų53.24%0.03530%0.299CS..EExtended strand (participates in β ladder)trans-144.6159-172.769.9-82.4000112.7P272 Y293 C294 Q327 D329P272-Y334 HydrophobicContact CG-CD1 3.69Å; P272-Y334 HydrophobicContact CG-CD2 4.2Å; P272-Y334 HydrophobicContact CG-CE1 4.29Å; P272-Y334 HydrophobicContact CG-CG 3.61Å; Y293-Y334 AromaticContact CD1-CD2 3.77Å; Y293-Y334 HydrophobicContact CD1-CD2 3.77Å; Y293-Y334 AromaticContact CD1-CE2 3.65Å; Y293-Y334 HydrophobicContact CD1-CE2 3.65Å; Y293-Y334 HydrophobicContact CE1-CD2 4.49Å; Y293-Y334 AromaticContact CE1-CE2 3.92Å; Y293-Y334 HydrophobicContact CE1-CE2 3.92Å; C294-Y334 CarbonylContact O-C 3.45Å; C294-Y334 VanDerWaalsContact O-CA 3.26Å; C294-Y334 WeakPolarHBondContact O-CA 3.28Å; C294-Y334 WeakPolarHBondContact O-CB 3.38Å; Q327-Y334 HydrophobicContact CB-CD1 4.06Å; Q327-Y334 HydrophobicContact CB-CD2 4.15Å; Q327-Y334 HydrophobicContact CB-CE1 3.58Å; Q327-Y334 HydrophobicContact CB-CE2 3.69Å; Q327-Y334 HydrophobicContact CB-CG 4.34Å; Q327-Y334 VanDerWaalsContact CB-CZ 3.41Å; Q327-Y334 HydrophobicContact CG-CE2 4.4Å; Q327-Y334 PolarHBondContact N-O 2.91Å; Q327-Y334 VanDerWaalsContact O-CD1 3.22Å; Q327-Y334 WeakPolarHBondContact O-CD1 3.39Å; Q327-Y334 PolarHBondContact O-N 2.89Å; Q327-Y334 PolarHBondContact OE1-OH 3.33Å; Q327-Y334 VanDerWaalsContact OE1-OH 3.1Å; D329-Y334 HydrophobicContact CB-CE1 3.58Å
335I88.7Confident80.9Confident3 Ų353 Ų532%0.01530%0.299CS..EExtended strand (participates in β ladder)trans-112.5150.9164.758.6167.4000110Y293 C294 F304 F306 P324 L326Y293-I335 CarbonylContact C-O 3.15Å; Y293-I335 WeakPolarHBondContact CA-O 3.39Å; C294-I335 HydrophobicContact CB-CG1 3.99Å; C294-I335 PolarHBondContact N-O 2.82Å; C294-I335 PolarHBondContact O-N 3.45Å; F304-I335 HydrophobicContact CB-CB 4.42Å; F304-I335 HydrophobicContact CB-CD1 3.52Å; F304-I335 HydrophobicContact CB-CG1 3.69Å; F304-I335 HydrophobicContact CB-CG2 3.91Å; F304-I335 HydrophobicContact CG-CG1 4.4Å; F306-I335 HydrophobicContact CD2-CD1 3.55Å; F306-I335 HydrophobicContact CD2-CG1 4.26Å; F306-I335 HydrophobicContact CE2-CB 4.34Å; F306-I335 HydrophobicContact CE2-CD1 3.48Å; F306-I335 VanDerWaalsContact CE2-CD1 3.48Å; F306-I335 HydrophobicContact CE2-CG1 3.67Å; F306-I335 HydrophobicContact CG-CD1 4.17Å; F306-I335 HydrophobicContact CZ-CD1 4.08Å; F306-I335 HydrophobicContact CZ-CG1 4.07Å; P324-I335 HydrophobicContact CB-CB 3.65Å; P324-I335 HydrophobicContact CB-CD1 3.88Å; P324-I335 HydrophobicContact CB-CG1 4.32Å; P324-I335 HydrophobicContact CB-CG2 3.89Å; P324-I335 HydrophobicContact CG-CD1 4.23Å; L326-I335 HydrophobicContact CD1-CG2 4.21Å
336V89.4Confident81.9Confident12 Ų1249 Ų497%0.07327%0.274CS..EExtended strand (participates in β ladder)trans-117.2137.9171.569.60000109.3H291 L292 Y293 N338H291-V336 HydrophobicContact CB-CG2 4.08Å; L292-V336 WeakPolarHBondContact O-CA 3.39Å; Y293-V336 HydrophobicContact CD1-CB 4.02Å; Y293-V336 HydrophobicContact CD1-CG2 3.8Å; Y293-V336 HydrophobicContact CE1-CB 4.11Å; Y293-V336 HydrophobicContact CE1-CG2 3.65Å; Y293-V336 HydrophobicContact CG-CG2 4.36Å; V336-N338 PolarHBondContact O-N 3.07Å
337L86.4Confident82.5Confident3 Ų348.8 Ų48.82%0.01627%0.27CS..EExtended strand (participates in β ladder)trans-70.8118.3166.7-170.473.4000107.3L292 F306 I319 S322 W346 I351L292-L337 HydrophobicContact CB-CB 4.02Å; L292-L337 HydrophobicContact CB-CD2 4.48Å; L292-L337 PolarHBondContact O-N 3.07Å; F306-L337 HydrophobicContact CB-CD1 4.38Å; F306-L337 HydrophobicContact CD2-CB 4.21Å; F306-L337 HydrophobicContact CD2-CD1 3.96Å; F306-L337 HydrophobicContact CE2-CB 3.93Å; F306-L337 HydrophobicContact CG-CD1 4.18Å; F306-L337 HydrophobicContact CZ-CB 4.29Å; I319-L337 HydrophobicContact CB-CD1 4.4Å; I319-L337 HydrophobicContact CG1-CD1 4.05Å; I319-L337 HydrophobicContact CG2-CD1 4.16Å; S322-L337 VanDerWaalsContact OG-CD1 3.31Å; S322-L337 WeakPolarHBondContact OG-CD1 3.36Å; L337-W346 HydrophobicContact CD2-CH2 4.27Å; L337-W346 HydrophobicContact CD2-CZ3 4.12Å; L337-I351 HydrophobicContact CD2-CD1 4.16Å
338N75Confident83Confident64 Ų6447 Ų4734%0.34227%0.269SS..EExtended strand (participates in β ladder)trans-58.5153.2-174.6-71.7-19.8000111.9N323 V336 T340N323-N338 PolarHBondContact O-ND2 3.41Å; V336-N338 PolarHBondContact O-N 3.07Å; N338-T340 PolarHBondContact O-N 3.17Å; N338-T340 PolarHBondContact O-OG1 2.88Å; N338-T340 VanDerWaalsContact O-OG1 3.12Å
339E68.9Low83.7Confident99 Ų9940.4 Ų40.446%0.46324%0.24SC..EExtended strand (participates in β ladder)trans-60.9103.5-171.4-162.5-176.6-141.400111.5R289 H291R289-E339 HydrophobicContact CB-CG 3.7Å; R289-E339 WeakPolarHBondContact CB-OE1 3.5Å; R289-E339 WeakPolarHBondContact CD-OE1 3.19Å; R289-E339 VanDerWaalsContact CD-OE2 3.26Å; R289-E339 WeakPolarHBondContact CD-OE2 3.5Å; R289-E339 HydrophobicContact CG-CG 4.19Å; R289-E339 IonicContact CZ-OE2 3.5Å; R289-E339 IonicContact NE-OE2 3.28Å; R289-E339 IonicContact NH1-OE1 3.35Å; R289-E339 IonicContact NH1-OE2 2.7Å; R289-E339 PolarHBondContact NH1-OE2 2.9Å; H291-E339 IonicContact CE1-OE1 2.67Å
340T75.6Confident84.7Confident26 Ų2638.6 Ų38.616%0.1623%0.232CC..EExtended strand (participates in β ladder)trans-116.1136.2-175330000109.8A318 N338 I342 W346A318-T340 HydrophobicContact CB-CG2 4.39Å; N338-T340 PolarHBondContact O-N 3.17Å; N338-T340 PolarHBondContact O-OG1 2.88Å; N338-T340 VanDerWaalsContact O-OG1 3.12Å; T340-I342 PolarHBondContact O-N 3.26Å; T340-W346 HydrophobicContact CG2-CZ2 4.44Å
341T84.6Confident85.6Confident97 Ų9735.4 Ų35.460%0.59520%0.198SC*.EExtended strand (participates in β ladder)trans-72.1112.2175.4-52.80000109
342I87.8Confident86.4Confident0 Ų031.6 Ų31.60%017%0.173CC..  trans-77.2128.8-177.5-55.3-55.4000110W284 E286 G287 A288 A290 T340 W346 V372W284-I342 HydrophobicContact CB-CG1 4.5Å; W284-I342 HydrophobicContact CB-CG2 4.21Å; W284-I342 HydrophobicContact CD2-CD1 4.45Å; W284-I342 HydrophobicContact CD2-CG1 4.19Å; W284-I342 HydrophobicContact CE3-CD1 3.58Å; W284-I342 HydrophobicContact CE3-CG1 3.71Å; W284-I342 HydrophobicContact CE3-CG2 4.1Å; W284-I342 HydrophobicContact CZ3-CD1 3.65Å; W284-I342 HydrophobicContact CZ3-CG1 4.29Å; E286-I342 CarbonylContact C-O 3.4Å; E286-I342 WeakPolarHBondContact CA-O 3.44Å; G287-I342 PolarHBondContact N-O 3.37Å; A288-I342 PolarHBondContact O-N 2.86Å; A288-I342 VanDerWaalsContact O-N 3.11Å; A290-I342 HydrophobicContact CB-CD1 4.44Å; A290-I342 HydrophobicContact CB-CG1 4.01Å; T340-I342 PolarHBondContact O-N 3.26Å; I342-W346 HydrophobicContact CD1-CD2 3.89Å; I342-W346 HydrophobicContact CD1-CE3 4.02Å; I342-W346 HydrophobicContact CD1-CG 4.33Å; I342-W346 HydrophobicContact CD1-CZ2 4.37Å; I342-W346 HydrophobicContact CD1-CZ3 4.33Å; I342-W346 HydrophobicContact CG2-CB 4.08Å; I342-W346 HydrophobicContact CG2-CG 4.25Å; I342-V372 HydrophobicContact CG2-CB 4.38Å; I342-V372 HydrophobicContact CG2-CG1 3.91Å; I342-V372 HydrophobicContact CG2-CG2 3.53Å
343D89.4Confident87Confident34 Ų3430.5 Ų30.518%0.18217%0.169CC..  trans-121.3171.5173.271.324.2000111.6K314 S345 W346K314-D343 IonicContact NZ-OD2 3.57Å; K314-D343 PolarHBondContact NZ-OD2 2.92Å; D343-S345 PolarHBondContact O-N 3.3Å; D343-S345 WeakPolarHBondContact OD1-CA 3.44Å; D343-S345 WeakPolarHBondContact OD1-CB 3.13Å; D343-S345 PolarHBondContact OD1-N 2.83Å; D343-S345 PolarHBondContact OD1-OG 3.26Å; D343-W346 PolarHBondContact O-N 2.98Å
344Q89.7Confident87.4Confident89 Ų8932.7 Ų32.742%0.41618%0.177SC..G310 helixtrans-49-24.6176.461.9175.8-0.700115.3E286 W346 H347 Y374E286-Q344 PolarHBondContact OE1-N 3.18Å; Q344-W346 VanDerWaalsContact C-N 3.27Å; Q344-W346 PolarHBondContact O-N 3.14Å; Q344-H347 VanDerWaalsContact O-CB 3.25Å; Q344-H347 WeakPolarHBondContact O-CB 3.28Å; Q344-H347 PolarHBondContact O-N 3.46Å; Q344-H347 VanDerWaalsContact O-N 3.12Å; Q344-Y374 HydrophobicContact CB-CD1 3.96Å; Q344-Y374 HydrophobicContact CB-CD2 3.45Å; Q344-Y374 VanDerWaalsContact CB-CD2 3.45Å; Q344-Y374 HydrophobicContact CB-CE1 4.24Å; Q344-Y374 HydrophobicContact CB-CE2 3.75Å; Q344-Y374 HydrophobicContact CB-CG 3.57Å
345S90.5Very high87.4Confident37 Ų3732.2 Ų32.226%0.25918%0.175SC..G310 helixtrans-76-12.6-178.583.40000113.8N312 D343 H347N312-S345 WeakPolarHBondContact ND2-CB 3.38Å; N312-S345 PolarHBondContact ND2-O 3.11Å; D343-S345 PolarHBondContact O-N 3.3Å; D343-S345 WeakPolarHBondContact OD1-CA 3.44Å; D343-S345 WeakPolarHBondContact OD1-CB 3.13Å; D343-S345 PolarHBondContact OD1-N 2.83Å; D343-S345 PolarHBondContact OD1-OG 3.26Å; S345-H347 VanDerWaalsContact C-N 3.3Å
346W91.4Very high87.2Confident6 Ų635.1 Ų35.12%0.02319%0.187CC..G310 helixtrans-81.8-5.3168.3-67.672.2000112.8W284 V315 A318 I319 L337 T340 I342 D343 Q344 G348 I349 I351 V370 V372W284-W346 HydrophobicContact CZ3-CE3 4.17Å; W284-W346 HydrophobicContact CZ3-CZ3 4.46Å; V315-W346 HydrophobicContact CG1-CD2 4.22Å; V315-W346 HydrophobicContact CG1-CE3 4.23Å; V315-W346 HydrophobicContact CG1-CZ3 4.44Å; V315-W346 HydrophobicContact CG2-CD2 4.11Å; V315-W346 HydrophobicContact CG2-CG 3.97Å; A318-W346 HydrophobicContact CB-CH2 4.32Å; A318-W346 HydrophobicContact CB-CZ2 3.81Å; I319-W346 HydrophobicContact CD1-CH2 4.18Å; I319-W346 HydrophobicContact CD1-CZ3 3.96Å; I319-W346 HydrophobicContact CG1-CH2 3.85Å; I319-W346 HydrophobicContact CG1-CZ3 4.09Å; L337-W346 HydrophobicContact CD2-CH2 4.27Å; L337-W346 HydrophobicContact CD2-CZ3 4.12Å; T340-W346 HydrophobicContact CG2-CZ2 4.44Å; I342-W346 HydrophobicContact CD1-CD2 3.89Å; I342-W346 HydrophobicContact CD1-CE3 4.02Å; I342-W346 HydrophobicContact CD1-CG 4.33Å; I342-W346 HydrophobicContact CD1-CZ2 4.37Å; I342-W346 HydrophobicContact CD1-CZ3 4.33Å; I342-W346 HydrophobicContact CG2-CB 4.08Å; I342-W346 HydrophobicContact CG2-CG 4.25Å; D343-W346 PolarHBondContact O-N 2.98Å; Q344-W346 VanDerWaalsContact C-N 3.27Å; Q344-W346 PolarHBondContact O-N 3.14Å; W346-G348 PolarHBondContact O-N 3.42Å; W346-I349 HydrophobicContact CB-CD1 4.34Å; W346-I349 HydrophobicContact CD2-CD1 4.22Å; W346-I349 HydrophobicContact CE3-CD1 3.55Å; W346-I349 HydrophobicContact CZ3-CD1 4.23Å; W346-I349 WeakPolarHBondContact O-CG1 3.46Å; W346-I351 HydrophobicContact CE3-CD1 4.45Å; W346-I351 HydrophobicContact CZ3-CD1 4.08Å; W346-V370 HydrophobicContact CB-CG1 4.45Å; W346-V372 HydrophobicContact CB-CG2 3.69Å
347H91.5Very high86.7Confident71 Ų7136.3 Ų36.333%0.32919%0.193SC..THydrogen-bonded Turntrans-68.8129.8-179.6-175.494.2000111.9Q344 S345 I349 V372 Y374 N407Q344-H347 VanDerWaalsContact O-CB 3.25Å; Q344-H347 WeakPolarHBondContact O-CB 3.28Å; Q344-H347 PolarHBondContact O-N 3.46Å; Q344-H347 VanDerWaalsContact O-N 3.12Å; S345-H347 VanDerWaalsContact C-N 3.3Å; H347-I349 VanDerWaalsContact C-N 3.28Å; H347-I349 PolarHBondContact O-N 2.72Å; H347-V372 HydrophobicContact CB-CB 4.1Å; H347-V372 HydrophobicContact CB-CG2 4.27Å; H347-V372 PolarHBondContact ND1-N 3.28Å; H347-V372 PolarHBondContact ND1-O 3.02Å; H347-Y374 HydrophobicContact CB-CD1 4.46Å; H347-Y374 HydrophobicContact CB-CE1 3.96Å; H347-Y374 AromaticContact CG-CE1 3.93Å; H347-Y374 AromaticContact ND1-CE1 3.96Å; H347-N407 PolarHBondContact CE1-ND2 2.63Å; H347-N407 VanDerWaalsContact CE1-ND2 3.25Å; H347-N407 PolarHBondContact ND1-ND2 3.03Å
348G90.6Very high86.1Confident26 Ų2642.5 Ų42.527%0.26822%0.222SC..THydrogen-bonded Turntrans83.4-7.7172.800000115.3W346 V370W346-G348 PolarHBondContact O-N 3.42Å; G348-V370 PolarHBondContact N-O 2.92Å
349I92.9Very high86.1Confident4 Ų448.6 Ų48.62%0.02124%0.241CC..  trans-64.5158.9175.977177.8000111.2C311 V315 W346 H347 I351 Q369 V370C311-I349 HydrophobicContact CB-CG2 4.46Å; V315-I349 HydrophobicContact CG1-CD1 3.48Å; V315-I349 VanDerWaalsContact CG1-CD1 3.48Å; V315-I349 HydrophobicContact CG1-CG2 4.47Å; W346-I349 HydrophobicContact CB-CD1 4.34Å; W346-I349 HydrophobicContact CD2-CD1 4.22Å; W346-I349 HydrophobicContact CE3-CD1 3.55Å; W346-I349 HydrophobicContact CZ3-CD1 4.23Å; W346-I349 WeakPolarHBondContact O-CG1 3.46Å; H347-I349 VanDerWaalsContact C-N 3.28Å; H347-I349 PolarHBondContact O-N 2.72Å; I349-I351 HydrophobicContact CD1-CD1 4.37Å; I349-I351 HydrophobicContact CD1-CG1 4.01Å; I349-I351 HydrophobicContact CG1-CG1 4.37Å; I349-Q369 WeakPolarHBondContact O-CA 3.16Å; I349-V370 HydrophobicContact CD1-CB 4.49Å; I349-V370 HydrophobicContact CD1-CG2 4.1Å; I349-V370 HydrophobicContact CG1-CB 3.86Å; I349-V370 HydrophobicContact CG1-CG2 3.73Å; I349-V370 PolarHBondContact O-N 3.12Å
350T93.7Very high86.2Confident27 Ų2748 Ų4817%0.16624%0.241CC..EExtended strand (participates in β ladder)trans-116.8111.1170.8-610000110.1K309 V352 V368K309-T350 PolarHBondContact N-O 3.28Å; K309-T350 PolarHBondContact O-N 3.12Å; K309-T350 VanDerWaalsContact O-N 3.08Å; T350-V352 HydrophobicContact CG2-CG2 4.35Å; T350-V368 CarbonylContact C-O 3.55Å; T350-V368 WeakPolarHBondContact CA-O 3.37Å
351I91.8Very high86Confident0 Ų051.4 Ų51.40%026%0.259CS..EExtended strand (participates in β ladder)trans-80.6131.4171.6-57.4171.9000107.8W284 L292 F306 I319 L337 W346 I349 S367 V368 V370W284-I351 HydrophobicContact CH2-CD1 4.15Å; W284-I351 HydrophobicContact CZ3-CD1 4.36Å; L292-I351 HydrophobicContact CD2-CB 4.15Å; L292-I351 HydrophobicContact CD2-CD1 3.81Å; L292-I351 HydrophobicContact CD2-CG2 3.8Å; F306-I351 HydrophobicContact CD1-CG2 3.87Å; F306-I351 HydrophobicContact CE1-CG2 4.44Å; I319-I351 HydrophobicContact CD1-CG1 4.26Å; L337-I351 HydrophobicContact CD2-CD1 4.16Å; W346-I351 HydrophobicContact CE3-CD1 4.45Å; W346-I351 HydrophobicContact CZ3-CD1 4.08Å; I349-I351 HydrophobicContact CD1-CD1 4.37Å; I349-I351 HydrophobicContact CD1-CG1 4.01Å; I349-I351 HydrophobicContact CG1-CG1 4.37Å; I351-S367 CarbonylContact O-C 3.59Å; I351-S367 VanDerWaalsContact O-CA 3.24Å; I351-S367 WeakPolarHBondContact O-CA 3.5Å; I351-S367 WeakPolarHBondContact O-CB 3.27Å; I351-V368 HydrophobicContact CB-CG1 4.04Å; I351-V368 PolarHBondContact N-O 3.43Å; I351-V368 PolarHBondContact O-N 3.44Å; I351-V370 HydrophobicContact CD1-CG2 3.6Å; I351-V370 HydrophobicContact CG1-CG2 3.91Å
352V91.4Very high85.5Confident2 Ų254.9 Ų54.91%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-115.9125.6179.6-176.40000107.8A307 K309 T350 K354 Q365 T366A307-V352 HydrophobicContact CB-CB 4.43Å; A307-V352 PolarHBondContact N-O 2.97Å; A307-V352 PolarHBondContact O-N 3.29Å; A307-V352 VanDerWaalsContact O-O 3.12Å; K309-V352 HydrophobicContact CD-CG2 3.76Å; K309-V352 HydrophobicContact CG-CG2 3.88Å; T350-V352 HydrophobicContact CG2-CG2 4.35Å; V352-K354 HydrophobicContact CG1-CG 4.17Å; V352-Q365 HydrophobicContact CG1-CB 4.05Å; V352-T366 WeakPolarHBondContact CA-O 3.37Å
353C90.4Very high85Confident0 Ų062 Ų620%029%0.289CS..EExtended strand (participates in β ladder)trans-94.6132.4162.3-174.90000109.2I265 I267 C294 F306 Q365 T366I265-C353 HydrophobicContact CG2-CB 4.47Å; I267-C353 HydrophobicContact CD1-CB 4.01Å; C294-C353 HydrophobicContact CB-CB 3.68Å; C294-C353 WeakPolarHBondContact CB-SG 3.33Å; C294-C353 WeakPolarHBondContact SG-CB 3.08Å; C294-C353 CovalentContact SG-SG 2.01Å; C294-C353 PolarHBondContact SG-SG 3.02Å; F306-C353 HydrophobicContact CD1-CB 4.18Å; F306-C353 HydrophobicContact CE1-CB 4.04Å; C353-Q365 VanDerWaalsContact O-CA 3.27Å; C353-Q365 WeakPolarHBondContact O-CA 3.34Å; C353-T366 PolarHBondContact N-O 3.41Å; C353-T366 PolarHBondContact O-N 2.96Å
354K89Confident84.7Confident77 Ų7763.3 Ų63.334%0.33530%0.295SS..EExtended strand (participates in β ladder)trans-113.2136.1171.6-57.6-179.1179.7-178.80108.8F304 T305 V352 I364 Q365F304-K354 CarbonylContact C-O 3.57Å; F304-K354 WeakPolarHBondContact CA-O 3.15Å; T305-K354 PolarHBondContact N-O 2.86Å; T305-K354 PolarHBondContact O-N 3.32Å; V352-K354 HydrophobicContact CG1-CG 4.17Å; K354-I364 WeakPolarHBondContact CA-O 3.39Å; K354-Q365 HydrophobicContact CG-CB 4.11Å
355A86.1Confident84.6Confident0 Ų064.3 Ų64.30%030%0.3CS..EExtended strand (participates in β ladder)trans-112.8131.1163.300000108.5I265 H302 A303 F304 Y363 I364I265-A355 HydrophobicContact CD1-CB 3.37Å; I265-A355 VanDerWaalsContact CD1-N 3.3Å; I265-A355 HydrophobicContact CG1-CB 3.76Å; H302-A355 HydrophobicContact CB-CB 4Å; H302-A355 WeakPolarHBondContact ND1-CB 3.38Å; A303-A355 WeakPolarHBondContact O-CA 3.22Å; F304-A355 HydrophobicContact CD1-CB 3.8Å; F304-A355 HydrophobicContact CE1-CB 3.9Å; A355-Y363 WeakPolarHBondContact O-CA 3.38Å; A355-I364 PolarHBondContact N-O 2.87Å; A355-I364 PolarHBondContact O-N 3.24Å
356K84.8Confident84.6Confident63 Ų6363 Ų6327%0.27429%0.29SS..EExtended strand (participates in β ladder)trans-101.6123.4171.3-170.7-167.9179.2-171.70108.6H302 A303 N361 R362 Y363H302-K356 WeakPolarHBondContact CA-O 3.39Å; A303-K356 PolarHBondContact N-O 3.45Å; A303-K356 PolarHBondContact O-N 3.12Å; K356-N361 WeakPolarHBondContact CE-OD1 3.38Å; K356-N361 PolarHBondContact NZ-OD1 3.26Å; K356-R362 WeakPolarHBondContact CA-O 3.41Å; K356-Y363 HydrophobicContact CB-CD1 3.86Å; K356-Y363 HydrophobicContact CB-CE1 3.68Å; K356-Y363 HydrophobicContact CD-CE1 3.78Å; K356-Y363 HydrophobicContact CG-CD1 4.01Å; K356-Y363 HydrophobicContact CG-CE1 3.6Å; K356-Y363 HydrophobicContact CG-CE2 4.42Å
357D78.9Confident84.7Confident38 Ų3864.9 Ų64.920%0.20330%0.304CS..EExtended strand (participates in β ladder)trans-73129.7170.6-167.8-4.4000110T301 Y359 N361 R362T301-D357 VanDerWaalsContact CB-OD1 3.28Å; T301-D357 WeakPolarHBondContact CB-OD1 3.48Å; T301-D357 PolarHBondContact OG1-OD1 3.47Å; D357-Y359 VanDerWaalsContact C-N 3.27Å; D357-Y359 PolarHBondContact O-N 3.01Å; D357-Y359 PolarHBondContact OD1-N 3.06Å; D357-N361 WeakPolarHBondContact O-CA 3.45Å; D357-N361 PolarHBondContact O-N 3.31Å; D357-R362 PolarHBondContact N-O 3.27Å
358H74.5Confident84.7Confident132 Ų13261.5 Ų61.561%0.61129%0.289SS*.THydrogen-bonded Turntrans-64.5-29.3177.6-79-68.6000112.9T301T301-H358 PolarHBondContact O-CD2 3.45Å; T301-H358 PolarHBondContact O-N 2.91Å
359Y74Confident84.9Confident192 Ų19264.3 Ų64.375%0.75330%0.295SS*.THydrogen-bonded Turntrans-83.3-41.9-173.2-71.3-80.1000114.4T301 D357T301-Y359 HydrophobicContact CG2-CD2 3.86Å; T301-Y359 HydrophobicContact CG2-CE2 3.56Å; D357-Y359 VanDerWaalsContact C-N 3.27Å; D357-Y359 PolarHBondContact O-N 3.01Å; D357-Y359 PolarHBondContact OD1-N 3.06Å
360D72.2Confident84.9Confident87 Ų8764.1 Ų64.147%0.46529%0.294SS..THydrogen-bonded Turntrans-12113.9-171.9-160.312.1000113.1R362D360-R362 HydrophobicContact CB-CG 4.2Å; D360-R362 PolarHBondContact O-N 3.3Å; D360-R362 IonicContact OD2-CZ 3.3Å; D360-R362 IonicContact OD2-NE 2.65Å; D360-R362 PolarHBondContact OD2-NE 3.44Å; D360-R362 IonicContact OD2-NH2 2.7Å; D360-R362 PolarHBondContact OD2-NH2 2.95Å
361N70.3Confident84.8Confident97 Ų9765 Ų6552%0.51930%0.297SS..  trans53.83.5-177.2-74.9-81.2000116.4K356 D357 Y363K356-N361 WeakPolarHBondContact CE-OD1 3.38Å; K356-N361 PolarHBondContact NZ-OD1 3.26Å; D357-N361 WeakPolarHBondContact O-CA 3.45Å; D357-N361 PolarHBondContact O-N 3.31Å; N361-Y363 WeakPolarHBondContact O-CD2 3.49Å; N361-Y363 WeakPolarHBondContact O-CE2 3.2Å
362R75.2Confident84.8Confident170 Ų17065 Ų6564%0.64230%0.297SS*.  trans-64.4139.5-176-61.7-168.3-163.6-167.18.7110.8K356 D357 D360K356-R362 WeakPolarHBondContact CA-O 3.41Å; D357-R362 PolarHBondContact N-O 3.27Å; D360-R362 HydrophobicContact CB-CG 4.2Å; D360-R362 PolarHBondContact O-N 3.3Å; D360-R362 IonicContact OD2-CZ 3.3Å; D360-R362 IonicContact OD2-NE 2.65Å; D360-R362 PolarHBondContact OD2-NE 3.44Å; D360-R362 IonicContact OD2-NH2 2.7Å; D360-R362 PolarHBondContact OD2-NH2 2.95Å
363Y76Confident84.8Confident150 Ų15067.3 Ų67.359%0.58831%0.309SS*.EExtended strand (participates in β ladder)trans-103.2108.9172.9-64.7-88000109.6A355 K356 N361A355-Y363 WeakPolarHBondContact O-CA 3.38Å; K356-Y363 HydrophobicContact CB-CD1 3.86Å; K356-Y363 HydrophobicContact CB-CE1 3.68Å; K356-Y363 HydrophobicContact CD-CE1 3.78Å; K356-Y363 HydrophobicContact CG-CD1 4.01Å; K356-Y363 HydrophobicContact CG-CE1 3.6Å; K356-Y363 HydrophobicContact CG-CE2 4.42Å; N361-Y363 WeakPolarHBondContact O-CD2 3.49Å; N361-Y363 WeakPolarHBondContact O-CE2 3.2Å
364I83.5Confident84.8Confident62 Ų6269.2 Ų69.232%0.31832%0.316SS..EExtended strand (participates in β ladder)trans-85.8145.2163.2-55.4175.6000106.5D264 I265 K354 A355D264-I364 HydrophobicContact CB-CD1 4.11Å; I265-I364 HydrophobicContact CD1-CB 3.73Å; I265-I364 HydrophobicContact CD1-CG2 3.66Å; I265-I364 WeakPolarHBondContact CD1-O 3.43Å; I265-I364 HydrophobicContact CG1-CB 4.16Å; I265-I364 HydrophobicContact CG1-CG2 3.81Å; K354-I364 WeakPolarHBondContact CA-O 3.39Å; A355-I364 PolarHBondContact N-O 2.87Å; A355-I364 PolarHBondContact O-N 3.24Å
365Q88.4Confident85Confident110 Ų11066.3 Ų66.351%0.51430%0.304SS..EExtended strand (participates in β ladder)trans-142.7140.8176.666.1-176.9-18.300111.8V352 C353 K354V352-Q365 HydrophobicContact CG1-CB 4.05Å; C353-Q365 VanDerWaalsContact O-CA 3.27Å; C353-Q365 WeakPolarHBondContact O-CA 3.34Å; K354-Q365 HydrophobicContact CG-CB 4.11Å
366T89.9Confident85.1Confident8 Ų867.4 Ų67.45%0.04931%0.312CS..EExtended strand (participates in β ladder)trans-129.4158.1172.2-150.70000108.4D263 I265 I267 S278 V352 C353D263-T366 PolarHBondContact OD1-OG1 2.98Å; I265-T366 HydrophobicContact CB-CG2 4.12Å; I265-T366 HydrophobicContact CG2-CG2 3.75Å; I267-T366 HydrophobicContact CB-CG2 3.8Å; I267-T366 HydrophobicContact CG2-CG2 3.97Å; S278-T366 PolarHBondContact OG-OG1 3.48Å; V352-T366 WeakPolarHBondContact CA-O 3.37Å; C353-T366 PolarHBondContact N-O 3.41Å; C353-T366 PolarHBondContact O-N 2.96Å
367S92.4Very high85.3Confident47 Ų4767.1 Ų67.133%0.32932%0.321SS..EExtended strand (participates in β ladder)trans-149.4146.3-171.962.70000114.2I351I351-S367 CarbonylContact O-C 3.59Å; I351-S367 VanDerWaalsContact O-CA 3.24Å; I351-S367 WeakPolarHBondContact O-CA 3.5Å; I351-S367 WeakPolarHBondContact O-CB 3.27Å
368V93.3Very high86.1Confident0 Ų065.7 Ų65.70%031%0.314CS..EExtended strand (participates in β ladder)trans-122136.2177.2690000110.9I267 I279 K280 N281 V282 L292 T350 I351I267-V368 HydrophobicContact CD1-CB 4.49Å; I267-V368 HydrophobicContact CD1-CG1 3.93Å; I267-V368 HydrophobicContact CG2-CB 4.13Å; I279-V368 HydrophobicContact CD1-CG2 4.23Å; I279-V368 HydrophobicContact CG1-CG2 3.85Å; I279-V368 WeakPolarHBondContact O-CG2 3.05Å; K280-V368 CarbonylContact O-C 3.54Å; K280-V368 WeakPolarHBondContact O-CA 3.36Å; N281-V368 VanDerWaalsContact C-CG2 3.43Å; V282-V368 HydrophobicContact CB-CG2 3.83Å; V282-V368 HydrophobicContact CG1-CG1 4.41Å; V282-V368 HydrophobicContact CG1-CG2 3.81Å; L292-V368 HydrophobicContact CD1-CG1 4.21Å; L292-V368 HydrophobicContact CD2-CG1 3.78Å; T350-V368 CarbonylContact C-O 3.55Å; T350-V368 WeakPolarHBondContact CA-O 3.37Å; I351-V368 HydrophobicContact CB-CG1 4.04Å; I351-V368 PolarHBondContact N-O 3.43Å; I351-V368 PolarHBondContact O-N 3.44Å
369Q94.2Very high87Confident84 Ų8463.1 Ų63.139%0.39331%0.307SS..EExtended strand (participates in β ladder)trans-86.2133.5168.7-169.4174.731.800110.7K280 N281 V282 I349K280-Q369 PolarHBondContact O-N 3.12Å; N281-Q369 CarbonylContact C-O 3.58Å; N281-Q369 WeakPolarHBondContact CA-O 3.41Å; V282-Q369 PolarHBondContact N-O 2.89Å; I349-Q369 WeakPolarHBondContact O-CA 3.16Å
370V92.4Very high88Confident0 Ų054.5 Ų54.50%027%0.274CS..EExtended strand (participates in β ladder)trans-94.5126.4179.9-176.30000110.8V282 W284 W346 G348 I349 I351 V372V282-V370 HydrophobicContact CG1-CB 4.25Å; V282-V370 HydrophobicContact CG1-CG1 4.34Å; V282-V370 HydrophobicContact CG1-CG2 3.9Å; W284-V370 HydrophobicContact CD2-CG1 4.34Å; W284-V370 HydrophobicContact CE3-CG1 3.47Å; W284-V370 VanDerWaalsContact CE3-CG1 3.47Å; W284-V370 HydrophobicContact CZ3-CG1 3.74Å; W284-V370 HydrophobicContact CZ3-CG2 4.03Å; W346-V370 HydrophobicContact CB-CG1 4.45Å; G348-V370 PolarHBondContact N-O 2.92Å; I349-V370 HydrophobicContact CD1-CB 4.49Å; I349-V370 HydrophobicContact CD1-CG2 4.1Å; I349-V370 HydrophobicContact CG1-CB 3.86Å; I349-V370 HydrophobicContact CG1-CG2 3.73Å; I349-V370 PolarHBondContact O-N 3.12Å; I351-V370 HydrophobicContact CD1-CG2 3.6Å; I351-V370 HydrophobicContact CG1-CG2 3.91Å; V370-V372 HydrophobicContact CG1-CG2 4.01Å
371I92.6Very high89.1Confident46 Ų4651 Ų5124%0.23626%0.256CS..EExtended strand (participates in β ladder)trans-113.897.5175.5-56.5175.4000107.5N281 V282 T283 W284N281-I371 HydrophobicContact CB-CD1 4.42Å; V282-I371 PolarHBondContact O-N 3.01Å; T283-I371 VanDerWaalsContact CA-O 3.3Å; T283-I371 WeakPolarHBondContact CA-O 3.31Å; T283-I371 HydrophobicContact CG2-CG2 4.5Å; W284-I371 PolarHBondContact N-O 3.39Å
372V91.7Very high90.2Very high0 Ų047.9 Ų47.90%024%0.238CC..EExtended strand (participates in β ladder)trans-80.9130.9172.4-171.30000109.2W284 E286 I342 W346 H347 V370 Y374 N407W284-V372 CarbonylContact O-C 3.47Å; W284-V372 WeakPolarHBondContact O-CA 3.39Å; E286-V372 HydrophobicContact CB-CG1 4.26Å; I342-V372 HydrophobicContact CG2-CB 4.38Å; I342-V372 HydrophobicContact CG2-CG1 3.91Å; I342-V372 HydrophobicContact CG2-CG2 3.53Å; W346-V372 HydrophobicContact CB-CG2 3.69Å; H347-V372 HydrophobicContact CB-CB 4.1Å; H347-V372 HydrophobicContact CB-CG2 4.27Å; H347-V372 PolarHBondContact ND1-N 3.28Å; H347-V372 PolarHBondContact ND1-O 3.02Å; V370-V372 HydrophobicContact CG1-CG2 4.01Å; V372-Y374 HydrophobicContact CB-CD1 4.39Å; V372-Y374 HydrophobicContact CG1-CD1 4.44Å; V372-Y374 WeakPolarHBondContact O-CD1 3.39Å; V372-N407 PolarHBondContact O-ND2 2.84Å
373L91.2Very high90.7Very high50 Ų5045.8 Ų45.826%0.26224%0.24SC..EExtended strand (participates in β ladder)trans-89.6112.7167-55.1176.2000108.1T283 W284 R285 E286 N407T283-L373 HydrophobicContact CG2-CD1 3.72Å; T283-L373 HydrophobicContact CG2-CD2 4.02Å; T283-L373 HydrophobicContact CG2-CG 3.68Å; W284-L373 PolarHBondContact O-N 3.12Å; R285-L373 HydrophobicContact CG-CB 4.12Å; R285-L373 HydrophobicContact CG-CD1 4.08Å; E286-L373 PolarHBondContact N-O 2.91Å; L373-N407 VanDerWaalsContact CA-O 3.26Å; L373-N407 WeakPolarHBondContact CA-O 3.5Å
374Y91.1Very high91.2Very high40 Ų4041.3 Ų41.316%0.15724%0.239CC..EExtended strand (participates in β ladder)trans-143.2161-173.771.1-87.4000111Q344 H347 V372 I405 G406 N407Q344-Y374 HydrophobicContact CB-CD1 3.96Å; Q344-Y374 HydrophobicContact CB-CD2 3.45Å; Q344-Y374 VanDerWaalsContact CB-CD2 3.45Å; Q344-Y374 HydrophobicContact CB-CE1 4.24Å; Q344-Y374 HydrophobicContact CB-CE2 3.75Å; Q344-Y374 HydrophobicContact CB-CG 3.57Å; H347-Y374 HydrophobicContact CB-CD1 4.46Å; H347-Y374 HydrophobicContact CB-CE1 3.96Å; H347-Y374 AromaticContact CG-CE1 3.93Å; H347-Y374 AromaticContact ND1-CE1 3.96Å; V372-Y374 HydrophobicContact CB-CD1 4.39Å; V372-Y374 HydrophobicContact CG1-CD1 4.44Å; V372-Y374 WeakPolarHBondContact O-CD1 3.39Å; Y374-I405 HydrophobicContact CE2-CB 4.34Å; Y374-I405 HydrophobicContact CE2-CG2 3.78Å; Y374-I405 WeakPolarHBondContact OH-CG2 3.33Å; Y374-G406 CarbonylContact O-C 3.44Å; Y374-G406 WeakPolarHBondContact O-CA 3.31Å; Y374-N407 HydrophobicContact CD1-CB 3.85Å; Y374-N407 HydrophobicContact CE1-CB 3.58Å; Y374-N407 PolarHBondContact N-O 3.2Å; Y374-N407 PolarHBondContact O-N 3.02Å
375F91.7Very high91.5Very high17 Ų1746 Ų468%0.07526%0.258CS..EExtended strand (participates in β ladder)trans-151.8106.1179.5174.3-152.6000108.8A404 I410 T445 K451 K453F375-A404 HydrophobicContact CE2-CB 4.36Å; F375-I410 HydrophobicContact CD2-CD1 3.51Å; F375-I410 HydrophobicContact CE2-CD1 3.53Å; F375-T445 WeakPolarHBondContact CZ-O 3.35Å; F375-T445 WeakPolarHBondContact CZ-OG1 3.11Å; F375-K451 HydrophobicContact CD1-CB 4.24Å; F375-K451 HydrophobicContact CE1-CB 4.25Å; F375-K451 VanDerWaalsContact CE1-O 3.28Å; F375-K451 WeakPolarHBondContact CE1-O 3.44Å; F375-K453 HydrophobicContact CD1-CD 4.03Å; F375-K453 HydrophobicContact CD1-CG 4.08Å; F375-K453 HydrophobicContact CE1-CB 3.85Å; F375-K453 HydrophobicContact CE1-CD 4.03Å; F375-K453 HydrophobicContact CE1-CG 3.62Å; F375-K453 HydrophobicContact CE2-CB 4.3Å; F375-K453 HydrophobicContact CG-CD 4.31Å; F375-K453 HydrophobicContact CZ-CB 3.63Å; F375-K453 HydrophobicContact CZ-CD 4.29Å; F375-K453 HydrophobicContact CZ-CG 3.93Å; F375-K453 WeakPolarHBondContact O-CE 3.22Å; F375-K453 PolarHBondContact O-NZ 2.68Å
376S88.7Confident91.6Very high23 Ų2345 Ų4516%0.16126%0.262CS..PPolyproline II helixtrans-66.8160.7179.983.70000111.3I405 K453S376-I405 WeakPolarHBondContact CB-O 3.43Å; S376-I405 PolarHBondContact N-O 2.79Å; S376-I405 PolarHBondContact OG-N 2.68Å; S376-I405 PolarHBondContact OG-O 3.46Å; S376-K453 WeakPolarHBondContact O-CD 3.39Å
377A90.1Very high91.6Very high57 Ų5746.9 Ų46.947%0.47128%0.275SS..PPolyproline II helixtrans-61.9145.4157.100000109.2
378P94Very high91.2Very high7 Ų749 Ų495%0.04529%0.285CS..PPolyproline II helixtrans-63.9148.4167.722-27.6000111.1C402 K403 A404 T445 A455P378-C402 VanDerWaalsContact CB-SG 3.56Å; P378-K403 WeakPolarHBondContact CA-O 3.42Å; P378-A404 HydrophobicContact CB-CB 4.11Å; P378-T445 HydrophobicContact CB-CG2 3.87Å; P378-T445 HydrophobicContact CG-CG2 4.22Å; P378-A455 HydrophobicContact CB-CB 4.2Å; P378-A455 HydrophobicContact CG-CB 3.79Å; P378-A455 WeakPolarHBondContact O-CB 3.34Å
379V93.8Very high90.7Very high79 Ų7956.5 Ų56.548%0.47933%0.325SS..EExtended strand (participates in β ladder)trans-117.6125.9171.3-177.70000107.9T381 K403V379-T381 HydrophobicContact CG1-CG2 4.28Å; V379-K403 PolarHBondContact N-O 3.26Å; V379-K403 PolarHBondContact O-N 2.96Å
380I95.6Very high90.2Very high11 Ų1154.4 Ų54.46%0.05633%0.327CS..EExtended strand (participates in β ladder)trans-91.2135.5173.7-62.1168.8000108.6F392 L400 W415 C443 A455 A457I380-F392 HydrophobicContact CB-CE2 4.31Å; I380-F392 HydrophobicContact CG2-CE2 3.58Å; I380-F392 HydrophobicContact CG2-CZ 4.05Å; I380-L400 HydrophobicContact CG2-CB 4.17Å; I380-L400 HydrophobicContact CG2-CD1 4.17Å; I380-L400 HydrophobicContact CG2-CD2 4.12Å; I380-L400 HydrophobicContact CG2-CG 4.4Å; I380-W415 HydrophobicContact CB-CH2 4.47Å; I380-W415 HydrophobicContact CD1-CH2 4Å; I380-W415 HydrophobicContact CD1-CZ3 3.76Å; I380-W415 HydrophobicContact CG1-CH2 3.85Å; I380-W415 HydrophobicContact CG1-CZ3 4.15Å; I380-W415 HydrophobicContact CG2-CH2 3.84Å; I380-W415 HydrophobicContact CG2-CZ3 4.45Å; I380-C443 HydrophobicContact CD1-CB 4.08Å; I380-C443 HydrophobicContact CG1-CB 4.16Å; I380-A455 HydrophobicContact CD1-CB 4.12Å; I380-A455 WeakPolarHBondContact CD1-O 3.28Å; I380-A455 HydrophobicContact CG1-CB 4.24Å; I380-A457 HydrophobicContact CB-CB 4.38Å; I380-A457 HydrophobicContact CD1-CB 3.77Å; I380-A457 HydrophobicContact CG2-CB 4.1Å
381T95.2Very high90.1Very high14 Ų1456.3 Ų56.39%0.08634%0.337CS..EExtended strand (participates in β ladder)trans-134.4145.417554.80000111.4V379 K385 L400 V401V379-T381 HydrophobicContact CG1-CG2 4.28Å; T381-K385 CarbonylContact C-O 3.58Å; T381-K385 WeakPolarHBondContact CA-O 3.41Å; T381-K385 VanDerWaalsContact CB-O 3.31Å; T381-K385 WeakPolarHBondContact CB-O 3.42Å; T381-L400 WeakPolarHBondContact O-CA 3Å; T381-V401 PolarHBondContact N-O 3.06Å; T381-V401 PolarHBondContact O-N 3.34Å; T381-V401 PolarHBondContact OG1-O 3.26Å
382Q92.6Very high90Very high30 Ų3054.4 Ų54.414%0.1433%0.326CS..EExtended strand (participates in β ladder)trans-108.1121.4169.7-172.6-169.60.600107.8G384 K385 F392 Y393 R399 L400Q382-G384 PolarHBondContact O-N 2.95Å; Q382-K385 PolarHBondContact N-O 2.9Å; Q382-K385 PolarHBondContact O-N 2.84Å; Q382-F392 HydrophobicContact CB-CD1 3.36Å; Q382-F392 HydrophobicContact CB-CE1 3.51Å; Q382-F392 HydrophobicContact CB-CG 4.09Å; Q382-F392 HydrophobicContact CB-CZ 4.34Å; Q382-F392 HydrophobicContact CG-CD1 4.36Å; Q382-F392 VanDerWaalsContact OE1-CD1 3.28Å; Q382-Y393 PolarHBondContact NE2-O 2.94Å; Q382-Y393 PolarHBondContact OE1-O 2.88Å; Q382-R399 WeakPolarHBondContact CA-O 3.47Å; Q382-L400 HydrophobicContact CB-CD2 3.77Å; Q382-L400 HydrophobicContact CG-CD2 4.2Å
383N86.3Confident89.8Confident127 Ų12758 Ų5868%0.67934%0.341SS*.THydrogen-bonded Turntrans48.137.6-175.9-61-23.4000113.5K385N383-K385 VanDerWaalsContact C-N 3.31Å; N383-K385 PolarHBondContact O-N 3.17Å
384G87.1Confident89.7Confident56 Ų5656.2 Ų56.258%0.57733%0.332SS*.THydrogen-bonded Turntrans79.3-2.7-178.200000116.3Q382Q382-G384 PolarHBondContact O-N 2.95Å
385K90.2Very high89.3Confident161 Ų16161.9 Ų61.970%0.736%0.36SS*.BIsolated β-bridgetrans-96.1148.7178.1-61.2-178.9-179178.80111.9T381 Q382 N383 F392T381-K385 CarbonylContact C-O 3.58Å; T381-K385 WeakPolarHBondContact CA-O 3.41Å; T381-K385 VanDerWaalsContact CB-O 3.31Å; T381-K385 WeakPolarHBondContact CB-O 3.42Å; Q382-K385 PolarHBondContact N-O 2.9Å; Q382-K385 PolarHBondContact O-N 2.84Å; N383-K385 VanDerWaalsContact C-N 3.31Å; N383-K385 PolarHBondContact O-N 3.17Å; K385-F392 WeakPolarHBondContact O-CE1 3.42Å
386S89.8Confident88.9Confident87 Ų8761.9 Ų61.961%0.60836%0.364SS*.PPolyproline II helixtrans-73.8158.9168.6-58.70000111.5
387P89.3Confident88.9Confident48 Ų4864.5 Ų64.531%0.31237%0.374SS..PPolyproline II helixtrans-73.3149.6178.429.4-31.9000111.8I391 F392P387-I391 WeakPolarHBondContact CB-O 3.28Å; P387-F392 HydrophobicContact CB-CD1 3.99Å; P387-F392 HydrophobicContact CB-CD2 3.99Å; P387-F392 HydrophobicContact CB-CE1 3.78Å; P387-F392 HydrophobicContact CB-CE2 3.76Å; P387-F392 HydrophobicContact CB-CG 4.1Å; P387-F392 HydrophobicContact CB-CZ 3.67Å; P387-F392 VanDerWaalsContact CD-CZ 3.45Å; P387-F392 HydrophobicContact CG-CE1 4.37Å; P387-F392 HydrophobicContact CG-CE2 4.04Å; P387-F392 HydrophobicContact CG-CZ 3.87Å
388V84.8Confident88.9Confident92 Ų9261.8 Ų61.856%0.55835%0.351SS*.BIsolated β-bridgetrans-89.6119.1174.4-179.40000108G390 I391V388-G390 PolarHBondContact O-N 3.31Å; V388-G390 VanDerWaalsContact O-N 3.17Å; V388-I391 PolarHBondContact N-O 2.97Å; V388-I391 PolarHBondContact O-N 3.12Å; V388-I391 VanDerWaalsContact O-O 3.13Å
389N83.4Confident88.9Confident157 Ų15768 Ų6884%0.8437%0.374SS*.THydrogen-bonded Turntrans5234.8-175.9-58.2-11.7000113.5I391N389-I391 VanDerWaalsContact C-N 3.27Å; N389-I391 PolarHBondContact O-N 2.93Å
390G83.5Confident89Confident41 Ų4164.2 Ų64.242%0.42335%0.351SS..THydrogen-bonded Turntrans78.62.4-177.200000115.4V388 S458V388-G390 PolarHBondContact O-N 3.31Å; V388-G390 VanDerWaalsContact O-N 3.17Å; G390-S458 PolarHBondContact O-N 2.79Å
391I88.7Confident89Confident40 Ų4065.1 Ų65.121%0.20536%0.357CS..EExtended strand (participates in β ladder)trans-111.9132.8-180-56.5174.7000110.7P387 V388 N389 Y393 S458 R460P387-I391 WeakPolarHBondContact CB-O 3.28Å; V388-I391 PolarHBondContact N-O 2.97Å; V388-I391 PolarHBondContact O-N 3.12Å; V388-I391 VanDerWaalsContact O-O 3.13Å; N389-I391 VanDerWaalsContact C-N 3.27Å; N389-I391 PolarHBondContact O-N 2.93Å; I391-Y393 HydrophobicContact CB-CE2 3.9Å; I391-Y393 HydrophobicContact CG2-CD1 4.47Å; I391-Y393 HydrophobicContact CG2-CD2 4.06Å; I391-Y393 HydrophobicContact CG2-CE1 4.1Å; I391-Y393 HydrophobicContact CG2-CE2 3.64Å; I391-Y393 HydrophobicContact CG2-CG 4.46Å; I391-S458 CarbonylContact C-O 3.2Å; I391-S458 WeakPolarHBondContact CA-O 3.32Å; I391-R460 HydrophobicContact CG2-CB 3.76Å
392F91.3Very high89Confident5 Ų564.5 Ų64.52%0.02235%0.353CS..EExtended strand (participates in β ladder)trans-93140.5162.9-74.4-64.1000110.1I380 Q382 K385 P387 L400 A457 S458 I459 R460I380-F392 HydrophobicContact CB-CE2 4.31Å; I380-F392 HydrophobicContact CG2-CE2 3.58Å; I380-F392 HydrophobicContact CG2-CZ 4.05Å; Q382-F392 HydrophobicContact CB-CD1 3.36Å; Q382-F392 HydrophobicContact CB-CE1 3.51Å; Q382-F392 HydrophobicContact CB-CG 4.09Å; Q382-F392 HydrophobicContact CB-CZ 4.34Å; Q382-F392 HydrophobicContact CG-CD1 4.36Å; Q382-F392 VanDerWaalsContact OE1-CD1 3.28Å; K385-F392 WeakPolarHBondContact O-CE1 3.42Å; P387-F392 HydrophobicContact CB-CD1 3.99Å; P387-F392 HydrophobicContact CB-CD2 3.99Å; P387-F392 HydrophobicContact CB-CE1 3.78Å; P387-F392 HydrophobicContact CB-CE2 3.76Å; P387-F392 HydrophobicContact CB-CG 4.1Å; P387-F392 HydrophobicContact CB-CZ 3.67Å; P387-F392 VanDerWaalsContact CD-CZ 3.45Å; P387-F392 HydrophobicContact CG-CE1 4.37Å; P387-F392 HydrophobicContact CG-CE2 4.04Å; P387-F392 HydrophobicContact CG-CZ 3.87Å; F392-L400 HydrophobicContact CD1-CD2 4.43Å; F392-L400 HydrophobicContact CD2-CD2 3.68Å; F392-L400 HydrophobicContact CE2-CD2 3.92Å; F392-L400 HydrophobicContact CG-CD2 3.96Å; F392-L400 HydrophobicContact CZ-CD2 4.36Å; F392-A457 HydrophobicContact CD2-CB 3.83Å; F392-A457 HydrophobicContact CE2-CB 3.73Å; F392-S458 PolarHBondContact N-O 3.23Å; F392-I459 HydrophobicContact CB-CG2 4.36Å; F392-I459 WeakPolarHBondContact O-CA 3.49Å; F392-R460 PolarHBondContact O-N 2.67Å
393Y88.4Confident89.1Confident76 Ų7668.8 Ų68.830%0.29837%0.371SS..EExtended strand (participates in β ladder)trans-114.8138.7180-66.8-92.6000110.4Q382 I391 R460 Y462Q382-Y393 PolarHBondContact NE2-O 2.94Å; Q382-Y393 PolarHBondContact OE1-O 2.88Å; I391-Y393 HydrophobicContact CB-CE2 3.9Å; I391-Y393 HydrophobicContact CG2-CD1 4.47Å; I391-Y393 HydrophobicContact CG2-CD2 4.06Å; I391-Y393 HydrophobicContact CG2-CE1 4.1Å; I391-Y393 HydrophobicContact CG2-CE2 3.64Å; I391-Y393 HydrophobicContact CG2-CG 4.46Å; Y393-R460 WeakPolarHBondContact CA-O 3.45Å; Y393-R460 HydrophobicContact CD1-CB 4.33Å; Y393-R460 HydrophobicContact CE1-CB 4.35Å; Y393-Y462 VanDerWaalsContact CB-CZ 3.41Å; Y393-Y462 HydrophobicContact CD1-CD1 4.12Å; Y393-Y462 HydrophobicContact CD1-CE1 4.16Å; Y393-Y462 HydrophobicContact CG-CD1 4.4Å; Y393-Y462 HydrophobicContact CG-CE1 4.01Å
394T88Confident89.3Confident13 Ų1363.3 Ų63.38%0.0834%0.344CS..EExtended strand (participates in β ladder)trans-143156.8177.4-175.20000112.4G396 E397 A398 V432 I459 R460 R461 Y462T394-G396 VanDerWaalsContact C-N 3.32Å; T394-G396 WeakPolarHBondContact CG2-O 3.45Å; T394-G396 PolarHBondContact OG1-N 2.9Å; T394-E397 PolarHBondContact OG1-O 2.8Å; T394-A398 HydrophobicContact CG2-CB 4.07Å; T394-V432 HydrophobicContact CG2-CB 4.41Å; T394-V432 HydrophobicContact CG2-CG2 4.29Å; T394-I459 HydrophobicContact CG2-CG2 4.31Å; T394-R460 PolarHBondContact N-O 2.64Å; T394-R460 VanDerWaalsContact N-O 3.16Å; T394-R461 CarbonylContact O-C 3.55Å; T394-R461 VanDerWaalsContact O-CA 3.29Å; T394-R461 WeakPolarHBondContact O-CA 3.22Å; T394-Y462 VanDerWaalsContact C-CD2 3.42Å; T394-Y462 WeakPolarHBondContact O-CD2 3.43Å; T394-Y462 PolarHBondContact O-N 3.15Å
395E83.1Confident89.5Confident159 Ų15965.3 Ų65.374%0.74334%0.341SS*.SBendtrans-81.6-12.5172.2-61.8-179.1160.800112.3R461 Y462E395-R461 PolarHBondContact O-NE 3.32Å; E395-R461 PolarHBondContact O-NH2 3.17Å; E395-Y462 HydrophobicContact CG-CD2 3.88Å; E395-Y462 HydrophobicContact CG-CE2 4.35Å
396G82.8Confident89.5Confident16 Ų1658 Ų5817%0.16531%0.311CS..SBendtrans178.7-65.3171.700000112.3T394 V432T394-G396 VanDerWaalsContact C-N 3.32Å; T394-G396 WeakPolarHBondContact CG2-O 3.45Å; T394-G396 PolarHBondContact OG1-N 2.9Å; G396-V432 PolarHBondContact O-N 3.2Å
397E88.5Confident89.5Confident78 Ų7855.6 Ų55.636%0.36429%0.291SS..EExtended strand (participates in β ladder)trans-87.1128.4-179.6-170.5-160149.500111.1T394 R399 T429T394-E397 PolarHBondContact OG1-O 2.8Å; E397-R399 VanDerWaalsContact CD-NH2 3.33Å; E397-R399 WeakPolarHBondContact OE1-CG 3.48Å; E397-R399 IonicContact OE1-CZ 3.93Å; E397-R399 IonicContact OE1-NE 3.15Å; E397-R399 PolarHBondContact OE1-NE 2.92Å; E397-R399 IonicContact OE1-NH2 2.8Å; E397-R399 PolarHBondContact OE1-NH2 3.17Å; E397-R399 IonicContact OE2-CZ 2.63Å; E397-R399 IonicContact OE2-NH2 3.02Å; E397-R399 PolarHBondContact OE2-NH2 3.37Å; E397-T429 HydrophobicContact CG-CG2 3.61Å; E397-T429 WeakPolarHBondContact OE1-CG2 3.42Å
398A90.5Very high89.4Confident0 Ų056.1 Ų56.10%029%0.294CS..EExtended strand (participates in β ladder)trans-109.8119.8173.600000112T394 T429 I430 I459T394-A398 HydrophobicContact CG2-CB 4.07Å; A398-T429 WeakPolarHBondContact O-CA 3.33Å; A398-I430 HydrophobicContact CB-CG2 4.06Å; A398-I430 PolarHBondContact N-O 3.14Å; A398-I430 PolarHBondContact O-N 3.38Å; A398-I459 HydrophobicContact CB-CD1 4.3Å; A398-I459 HydrophobicContact CB-CG2 3.58Å
399R93.6Very high89.4Confident138 Ų13857.9 Ų57.952%0.52130%0.3SS..EExtended strand (participates in β ladder)trans-97105.5172.3-65.1-172.5-175.916315.4110.8Q382 E397 T429Q382-R399 WeakPolarHBondContact CA-O 3.47Å; E397-R399 VanDerWaalsContact CD-NH2 3.33Å; E397-R399 WeakPolarHBondContact OE1-CG 3.48Å; E397-R399 IonicContact OE1-CZ 3.93Å; E397-R399 IonicContact OE1-NE 3.15Å; E397-R399 PolarHBondContact OE1-NE 2.92Å; E397-R399 IonicContact OE1-NH2 2.8Å; E397-R399 PolarHBondContact OE1-NH2 3.17Å; E397-R399 IonicContact OE2-CZ 2.63Å; E397-R399 IonicContact OE2-NH2 3.02Å; E397-R399 PolarHBondContact OE2-NH2 3.37Å; R399-T429 HydrophobicContact CG-CG2 4.49Å
400L95.6Very high89.6Confident0 Ų051.7 Ų51.70%027%0.267CS..EExtended strand (participates in β ladder)trans-105.8134.8179.4-61.3-177.1000111.5I380 T381 Q382 F392 W415 E427 L428 V441 I459I380-L400 HydrophobicContact CG2-CB 4.17Å; I380-L400 HydrophobicContact CG2-CD1 4.17Å; I380-L400 HydrophobicContact CG2-CD2 4.12Å; I380-L400 HydrophobicContact CG2-CG 4.4Å; T381-L400 WeakPolarHBondContact O-CA 3Å; Q382-L400 HydrophobicContact CB-CD2 3.77Å; Q382-L400 HydrophobicContact CG-CD2 4.2Å; F392-L400 HydrophobicContact CD1-CD2 4.43Å; F392-L400 HydrophobicContact CD2-CD2 3.68Å; F392-L400 HydrophobicContact CE2-CD2 3.92Å; F392-L400 HydrophobicContact CG-CD2 3.96Å; F392-L400 HydrophobicContact CZ-CD2 4.36Å; L400-W415 HydrophobicContact CB-CH2 3.66Å; L400-W415 HydrophobicContact CB-CZ2 4.05Å; L400-W415 HydrophobicContact CB-CZ3 4.44Å; L400-W415 HydrophobicContact CD1-CH2 4.19Å; L400-W415 HydrophobicContact CD1-CZ3 4.22Å; L400-E427 WeakPolarHBondContact O-CA 3.26Å; L400-L428 PolarHBondContact N-O 2.95Å; L400-L428 PolarHBondContact O-N 3.18Å; L400-V441 HydrophobicContact CD1-CG2 3.61Å; L400-I459 HydrophobicContact CD1-CD1 3.51Å; L400-I459 HydrophobicContact CD1-CG1 4.02Å; L400-I459 HydrophobicContact CG-CD1 4.38Å
401V96.3Very high89.8Confident30 Ų3054 Ų5418%0.18227%0.273CS..EExtended strand (participates in β ladder)trans-117.3117.6175.1-167.30000108.5T381 K403 E427T381-V401 PolarHBondContact N-O 3.06Å; T381-V401 PolarHBondContact O-N 3.34Å; T381-V401 PolarHBondContact OG1-O 3.26Å; V401-K403 HydrophobicContact CG1-CG 4.1Å; V401-E427 HydrophobicContact CG1-CG 4.14Å; V401-E427 HydrophobicContact CG2-CG 4.22Å
402C95.4Very high90Very high1 Ų154.7 Ų54.71%0.00728%0.277CS..EExtended strand (participates in β ladder)trans-90.2125.5172.5-178.50000109.4P378 Y413 W415 N426 C443P378-C402 VanDerWaalsContact CB-SG 3.56Å; C402-Y413 HydrophobicContact CB-CD1 4.29Å; C402-Y413 WeakPolarHBondContact O-CE1 3.26Å; C402-W415 HydrophobicContact CB-CH2 3.99Å; C402-W415 HydrophobicContact CB-CZ2 3.45Å; C402-W415 VanDerWaalsContact CB-CZ2 3.45Å; C402-N426 PolarHBondContact N-O 3.29Å; C402-C443 HydrophobicContact CB-CB 3.67Å; C402-C443 WeakPolarHBondContact CB-SG 3.24Å; C402-C443 WeakPolarHBondContact SG-CB 3.02Å; C402-C443 CovalentContact SG-SG 2.03Å; C402-C443 PolarHBondContact SG-SG 2.87Å
403K93.6Very high90.2Very high119 Ų11956.6 Ų56.652%0.51728%0.284SS..EExtended strand (participates in β ladder)trans-124.6116.6179.7-61.2-176.7-177.5179.40109.2P378 V379 V401P378-K403 WeakPolarHBondContact CA-O 3.42Å; V379-K403 PolarHBondContact N-O 3.26Å; V379-K403 PolarHBondContact O-N 2.96Å; V401-K403 HydrophobicContact CG1-CG 4.1Å
404A92.3Very high90.6Very high12 Ų1253.8 Ų53.810%0.09927%0.274CS..  trans-116.2144.7167.800000109.3F375 P378 I410 Y413 T445F375-A404 HydrophobicContact CE2-CB 4.36Å; P378-A404 HydrophobicContact CB-CB 4.11Å; A404-I410 HydrophobicContact CB-CD1 4.1Å; A404-I410 HydrophobicContact CB-CG1 3.87Å; A404-I410 WeakPolarHBondContact O-CG1 3.42Å; A404-Y413 PolarHBondContact O-OH 3.49Å; A404-T445 HydrophobicContact CB-CG2 3.86Å
405I90.4Very high91.1Very high99 Ų9953.2 Ų53.251%0.50827%0.27SS..  trans-110.9137.8177.9-45.8-179.8000107.4Y374 S376Y374-I405 HydrophobicContact CE2-CB 4.34Å; Y374-I405 HydrophobicContact CE2-CG2 3.78Å; Y374-I405 WeakPolarHBondContact OH-CG2 3.33Å; S376-I405 WeakPolarHBondContact CB-O 3.43Å; S376-I405 PolarHBondContact N-O 2.79Å; S376-I405 PolarHBondContact OG-N 2.68Å; S376-I405 PolarHBondContact OG-O 3.46Å
406G89.7Confident91.7Very high7 Ų748.5 Ų48.57%0.07225%0.247CC..EExtended strand (participates in β ladder)trans-161.7157.6174.700000111.5Y374 P408Y374-G406 CarbonylContact O-C 3.44Å; Y374-G406 WeakPolarHBondContact O-CA 3.31Å; G406-P408 CarbonylContact C-O 3.58Å; G406-P408 CarbonylContact O-C 3.59Å
407N90.3Very high92.2Very high37 Ų3749.4 Ų49.420%0.19825%0.247CC..EExtended strand (participates in β ladder)trans-126.6117.1164.7175.758.3000108.9H347 V372 L373 Y374H347-N407 PolarHBondContact CE1-ND2 2.63Å; H347-N407 VanDerWaalsContact CE1-ND2 3.25Å; H347-N407 PolarHBondContact ND1-ND2 3.03Å; V372-N407 PolarHBondContact O-ND2 2.84Å; L373-N407 VanDerWaalsContact CA-O 3.26Å; L373-N407 WeakPolarHBondContact CA-O 3.5Å; Y374-N407 HydrophobicContact CD1-CB 3.85Å; Y374-N407 HydrophobicContact CE1-CB 3.58Å; Y374-N407 PolarHBondContact N-O 3.2Å; Y374-N407 PolarHBondContact O-N 3.02Å
408P86.7Confident92.3Very high58 Ų5854 Ų5438%0.37727%0.269SS..SBendcis-63.7166.2-2.9-18.733.3000113.2G406G406-P408 CarbonylContact C-O 3.58Å; G406-P408 CarbonylContact O-C 3.59Å
409N86.1Confident92.2Very high129 Ų12961.4 Ų61.469%0.6931%0.309SS*.PPolyproline II helixtrans-55.1151.3-179.6-71.6-8000112.7V411N409-V411 PolarHBondContact O-N 2.87Å
410I86.9Confident92.3Very high27 Ų2761.5 Ų61.514%0.13832%0.315CS..PPolyproline II helixtrans-61.6129.6175.6-49.5-53.5000109.9F375 A404 Y413 R446F375-I410 HydrophobicContact CD2-CD1 3.51Å; F375-I410 HydrophobicContact CE2-CD1 3.53Å; A404-I410 HydrophobicContact CB-CD1 4.1Å; A404-I410 HydrophobicContact CB-CG1 3.87Å; A404-I410 WeakPolarHBondContact O-CG1 3.42Å; I410-Y413 HydrophobicContact CB-CE2 4.05Å; I410-Y413 HydrophobicContact CG2-CD2 4.21Å; I410-Y413 HydrophobicContact CG2-CE2 3.64Å; I410-R446 WeakPolarHBondContact CG2-O 3.36Å
411V88.8Confident92.2Very high91 Ų9163.9 Ų63.955%0.55233%0.329SS*.  trans-96.8-22.2-174.6-66.70000113.9N409 R446 C448N409-V411 PolarHBondContact O-N 2.87Å; V411-R446 HydrophobicContact CG2-CB 4.4Å; V411-R446 WeakPolarHBondContact CG2-O 3.18Å; V411-R446 PolarHBondContact N-O 3.19Å; V411-C448 WeakPolarHBondContact CG1-SG 3.42Å
412N92.7Very high92.1Very high53 Ų5365 Ų6528%0.28333%0.334SS..EExtended strand (participates in β ladder)trans-151.1146.5-177.3-160.9-7.3000111.9T445 R446N412-T445 WeakPolarHBondContact O-CA 3.12Å; N412-R446 HydrophobicContact CB-CB 4.16Å; N412-R446 HydrophobicContact CB-CG 4.49Å; N412-R446 PolarHBondContact O-N 2.88Å
413Y95.7Very high92.1Very high46 Ų4665.9 Ų65.918%0.1834%0.34CS..EExtended strand (participates in β ladder)trans-127.5133.3174.7-71-99.7000107.8C402 A404 I410 Y424 N426 T445C402-Y413 HydrophobicContact CB-CD1 4.29Å; C402-Y413 WeakPolarHBondContact O-CE1 3.26Å; A404-Y413 PolarHBondContact O-OH 3.49Å; I410-Y413 HydrophobicContact CB-CE2 4.05Å; I410-Y413 HydrophobicContact CG2-CD2 4.21Å; I410-Y413 HydrophobicContact CG2-CE2 3.64Å; Y413-Y424 CarbonylContact O-C 3.6Å; Y413-Y424 VanDerWaalsContact O-CA 3.28Å; Y413-Y424 WeakPolarHBondContact O-CA 3.36Å; Y413-N426 HydrophobicContact CD1-CB 3.84Å; Y413-N426 HydrophobicContact CD2-CB 4.12Å; Y413-N426 HydrophobicContact CE1-CB 4.01Å; Y413-N426 HydrophobicContact CE2-CB 4.29Å; Y413-N426 HydrophobicContact CG-CB 3.91Å; Y413-T445 HydrophobicContact CD1-CG2 3.52Å; Y413-T445 HydrophobicContact CE1-CG2 3.6Å; Y413-T445 HydrophobicContact CG-CG2 4.32Å
414Q96.4Very high92.2Very high17 Ų1767.4 Ų67.48%0.07934%0.344CS..EExtended strand (participates in β ladder)trans-137.2119.6177.2-170.3179.533.700109.8K416 V421 S423 Y424 V444Q414-K416 VanDerWaalsContact CD-CE 3.4Å; Q414-K416 HydrophobicContact CG-CG 4.36Å; Q414-V421 HydrophobicContact CG-CG1 3.71Å; Q414-V421 VanDerWaalsContact NE2-CG2 3.27Å; Q414-S423 CarbonylContact C-O 3.48Å; Q414-S423 WeakPolarHBondContact CA-O 2.96Å; Q414-Y424 HydrophobicContact CG-CD1 4.21Å; Q414-Y424 HydrophobicContact CG-CE1 4.13Å; Q414-V444 HydrophobicContact CB-CB 4.48Å; Q414-V444 PolarHBondContact N-O 3.02Å; Q414-V444 PolarHBondContact O-N 3.44Å
415W97.3Very high92.3Very high0 Ų073.9 Ų73.90%037%0.369CS..EExtended strand (participates in β ladder)trans-90.5137.4171-69.995000110.7I380 L400 C402 V421 L422 S423 K425 N426 L428 V441 T442 C443I380-W415 HydrophobicContact CB-CH2 4.47Å; I380-W415 HydrophobicContact CD1-CH2 4Å; I380-W415 HydrophobicContact CD1-CZ3 3.76Å; I380-W415 HydrophobicContact CG1-CH2 3.85Å; I380-W415 HydrophobicContact CG1-CZ3 4.15Å; I380-W415 HydrophobicContact CG2-CH2 3.84Å; I380-W415 HydrophobicContact CG2-CZ3 4.45Å; L400-W415 HydrophobicContact CB-CH2 3.66Å; L400-W415 HydrophobicContact CB-CZ2 4.05Å; L400-W415 HydrophobicContact CB-CZ3 4.44Å; L400-W415 HydrophobicContact CD1-CH2 4.19Å; L400-W415 HydrophobicContact CD1-CZ3 4.22Å; C402-W415 HydrophobicContact CB-CH2 3.99Å; C402-W415 HydrophobicContact CB-CZ2 3.45Å; C402-W415 VanDerWaalsContact CB-CZ2 3.45Å; W415-V421 CarbonylContact O-C 3.52Å; W415-L422 HydrophobicContact CB-CB 4.29Å; W415-L422 PolarHBondContact O-N 2.87Å; W415-S423 PolarHBondContact N-O 3.41Å; W415-K425 PolarHBondContact NE1-O 2.87Å; W415-K425 VanDerWaalsContact NE1-O 3.16Å; W415-N426 PolarHBondContact NE1-O 3.39Å; W415-L428 HydrophobicContact CB-CD1 4.41Å; W415-L428 HydrophobicContact CB-CD2 4.18Å; W415-L428 HydrophobicContact CD2-CB 3.62Å; W415-L428 HydrophobicContact CD2-CD2 3.8Å; W415-L428 HydrophobicContact CD2-CG 4.3Å; W415-L428 HydrophobicContact CE3-CB 4.21Å; W415-L428 HydrophobicContact CE3-CD2 3.66Å; W415-L428 HydrophobicContact CG-CB 3.79Å; W415-L428 HydrophobicContact CG-CD2 4.08Å; W415-L428 HydrophobicContact CG-CG 4.36Å; W415-L428 HydrophobicContact CH2-CB 4.48Å; W415-L428 HydrophobicContact CZ2-CB 3.95Å; W415-L428 HydrophobicContact CZ3-CD2 4.2Å; W415-V441 HydrophobicContact CE3-CB 4.22Å; W415-V441 HydrophobicContact CE3-CG2 4.21Å; W415-V441 HydrophobicContact CZ3-CB 4.31Å; W415-V441 HydrophobicContact CZ3-CG2 3.8Å; W415-T442 CarbonylContact C-O 3.57Å; W415-T442 WeakPolarHBondContact CA-O 3.14Å; W415-C443 HydrophobicContact CD2-CB 4.14Å; W415-C443 HydrophobicContact CE3-CB 3.88Å; W415-C443 HydrophobicContact CH2-CB 4.1Å; W415-C443 HydrophobicContact CZ2-CB 4.34Å; W415-C443 HydrophobicContact CZ3-CB 3.84Å
416K96.3Very high92.5Very high60 Ų6072.2 Ų72.226%0.26136%0.362SS..EExtended strand (participates in β ladder)trans-134.4150.2174.9-58.7-173.2-174.9179.50111.9Q414 E420 V421 V441 T442Q414-K416 VanDerWaalsContact CD-CE 3.4Å; Q414-K416 HydrophobicContact CG-CG 4.36Å; K416-E420 WeakPolarHBondContact CA-O 3.22Å; K416-E420 VanDerWaalsContact CB-O 3.22Å; K416-E420 WeakPolarHBondContact CB-O 3.29Å; K416-V421 HydrophobicContact CG-CG2 4.43Å; K416-V441 CarbonylContact O-C 3.6Å; K416-V441 WeakPolarHBondContact O-CA 3.35Å; K416-T442 PolarHBondContact N-O 2.89Å; K416-T442 PolarHBondContact O-N 3.36Å
417E94Very high92.8Very high35 Ų3577 Ų7716%0.16438%0.382CS..EExtended strand (participates in β ladder)trans-120.8124.3157.4-179.3154.4-122.900106.4N419 E420 L422 R439 R440E417-N419 PolarHBondContact O-N 3.31Å; E417-E420 PolarHBondContact N-O 3.42Å; E417-E420 PolarHBondContact O-N 3.49Å; E417-L422 HydrophobicContact CB-CD1 3.85Å; E417-L422 HydrophobicContact CB-CG 4.32Å; E417-R439 WeakPolarHBondContact OE1-CA 3.02Å; E417-R439 VanDerWaalsContact OE1-CB 3.23Å; E417-R439 WeakPolarHBondContact OE1-CB 3.4Å; E417-R439 IonicContact OE1-NE 2.71Å; E417-R439 IonicContact OE2-CZ 2.84Å; E417-R439 IonicContact OE2-NE 2.64Å; E417-R439 PolarHBondContact OE2-NE 3.1Å; E417-R439 IonicContact OE2-NH2 2.65Å; E417-R439 PolarHBondContact OE2-NH2 2.89Å; E417-R440 PolarHBondContact OE1-N 3.03Å
418E89.2Confident93.1Very high175 Ų17575.6 Ų75.682%0.81838%0.375SS*.THydrogen-bonded Turntrans48.4-110.8-165.5-54.6-171.4167.900112.5
419N90Very high93.4Very high156 Ų15676.7 Ų76.783%0.83438%0.38SS*.THydrogen-bonded Turntrans-100.6-12.8177.5-68.8-51.6000113.8E417E417-N419 PolarHBondContact O-N 3.31Å
420E94.2Very high93.7Very high140 Ų14070.9 Ų70.965%0.65435%0.349SS*.EExtended strand (participates in β ladder)trans-78.3147.6-177.6-170.5175.2173.300111.4K416 E417K416-E420 WeakPolarHBondContact CA-O 3.22Å; K416-E420 VanDerWaalsContact CB-O 3.22Å; K416-E420 WeakPolarHBondContact CB-O 3.29Å; E417-E420 PolarHBondContact N-O 3.42Å; E417-E420 PolarHBondContact O-N 3.49Å
421V94.6Very high93.7Very high49 Ų4973.8 Ų73.830%0.29737%0.365SS..EExtended strand (participates in β ladder)trans-103.7107.3-179.4-175.40000110.4Q414 W415 K416 Y424Q414-V421 HydrophobicContact CG-CG1 3.71Å; Q414-V421 VanDerWaalsContact NE2-CG2 3.27Å; W415-V421 CarbonylContact O-C 3.52Å; K416-V421 HydrophobicContact CG-CG2 4.43Å; V421-Y424 HydrophobicContact CG1-CD2 4.38Å; V421-Y424 HydrophobicContact CG1-CE1 3.99Å; V421-Y424 HydrophobicContact CG1-CE2 3.82Å
422L94.6Very high93.5Very high53 Ų5369.5 Ų69.528%0.27734%0.339SS..EExtended strand (participates in β ladder)trans-82.9-31.6-175.3-56.9-178.2000113.7W415 E417 L428 I430 V441W415-L422 HydrophobicContact CB-CB 4.29Å; W415-L422 PolarHBondContact O-N 2.87Å; E417-L422 HydrophobicContact CB-CD1 3.85Å; E417-L422 HydrophobicContact CB-CG 4.32Å; L422-L428 HydrophobicContact CB-CD1 3.73Å; L422-L428 HydrophobicContact CD1-CD1 4.23Å; L422-L428 HydrophobicContact CD1-CD2 4.04Å; L422-I430 HydrophobicContact CD1-CD1 3.8Å; L422-V441 HydrophobicContact CD1-CG1 4.05Å
423S94.9Very high92.8Very high20 Ų2074.5 Ų74.514%0.1436%0.361CS..EExtended strand (participates in β ladder)trans-162.8146.5-175.8172.70000111.7Q414 W415 K425 E427Q414-S423 CarbonylContact C-O 3.48Å; Q414-S423 WeakPolarHBondContact CA-O 2.96Å; W415-S423 PolarHBondContact N-O 3.41Å; S423-K425 PolarHBondContact OG-N 2.86Å; S423-E427 PolarHBondContact OG-O 3.36Å
424Y95.4Very high91.7Very high152 Ų15276.9 Ų76.960%0.59638%0.38SS*.SBendtrans-104.516.4169.5-66.4-81.4000112.8Y413 Q414 V421Y413-Y424 CarbonylContact O-C 3.6Å; Y413-Y424 VanDerWaalsContact O-CA 3.28Å; Y413-Y424 WeakPolarHBondContact O-CA 3.36Å; Q414-Y424 HydrophobicContact CG-CD1 4.21Å; Q414-Y424 HydrophobicContact CG-CE1 4.13Å; V421-Y424 HydrophobicContact CG1-CD2 4.38Å; V421-Y424 HydrophobicContact CG1-CE1 3.99Å; V421-Y424 HydrophobicContact CG1-CE2 3.82Å
425K95Very high90.4Very high147 Ų14780.8 Ų80.864%0.63940%0.401SS*.SBendtrans-102.4163.2176.3-61.6177-179.31750110W415 S423 E427W415-K425 PolarHBondContact NE1-O 2.87Å; W415-K425 VanDerWaalsContact NE1-O 3.16Å; S423-K425 PolarHBondContact OG-N 2.86Å; K425-E427 PolarHBondContact O-N 2.86Å
426N94.3Very high88.9Confident64 Ų6482 Ų8234%0.34241%0.414SS..SBendtrans-63.2-16.9166.264.1-57.7000112.5C402 Y413 W415C402-N426 PolarHBondContact N-O 3.29Å; Y413-N426 HydrophobicContact CD1-CB 3.84Å; Y413-N426 HydrophobicContact CD2-CB 4.12Å; Y413-N426 HydrophobicContact CE1-CB 4.01Å; Y413-N426 HydrophobicContact CE2-CB 4.29Å; Y413-N426 HydrophobicContact CG-CB 3.91Å; W415-N426 PolarHBondContact NE1-O 3.39Å
427E95.9Very high88Confident108 Ų10881.1 Ų81.151%0.50542%0.415SS..EExtended strand (participates in β ladder)trans-109.4143.3-179.1-70.4169.3-167.500111.9L400 V401 S423 K425L400-E427 WeakPolarHBondContact O-CA 3.26Å; V401-E427 HydrophobicContact CG1-CG 4.14Å; V401-E427 HydrophobicContact CG2-CG 4.22Å; S423-E427 PolarHBondContact OG-O 3.36Å; K425-E427 PolarHBondContact O-N 2.86Å
428L95.9Very high87.5Confident8 Ų882.7 Ų82.74%0.04243%0.43CS..EExtended strand (participates in β ladder)trans-130.8129.4171.9176.466.2000108.7L400 W415 L422 I430 V441L400-L428 PolarHBondContact N-O 2.95Å; L400-L428 PolarHBondContact O-N 3.18Å; W415-L428 HydrophobicContact CB-CD1 4.41Å; W415-L428 HydrophobicContact CB-CD2 4.18Å; W415-L428 HydrophobicContact CD2-CB 3.62Å; W415-L428 HydrophobicContact CD2-CD2 3.8Å; W415-L428 HydrophobicContact CD2-CG 4.3Å; W415-L428 HydrophobicContact CE3-CB 4.21Å; W415-L428 HydrophobicContact CE3-CD2 3.66Å; W415-L428 HydrophobicContact CG-CB 3.79Å; W415-L428 HydrophobicContact CG-CD2 4.08Å; W415-L428 HydrophobicContact CG-CG 4.36Å; W415-L428 HydrophobicContact CH2-CB 4.48Å; W415-L428 HydrophobicContact CZ2-CB 3.95Å; W415-L428 HydrophobicContact CZ3-CD2 4.2Å; L422-L428 HydrophobicContact CB-CD1 3.73Å; L422-L428 HydrophobicContact CD1-CD1 4.23Å; L422-L428 HydrophobicContact CD1-CD2 4.04Å; L428-I430 HydrophobicContact CD1-CB 4.5Å; L428-I430 HydrophobicContact CD2-CB 4.31Å; L428-I430 HydrophobicContact CD2-CD1 4.41Å; L428-I430 HydrophobicContact CD2-CG2 4.19Å; L428-I430 HydrophobicContact CG-CB 4.16Å; L428-I430 HydrophobicContact CG-CG2 4.27Å; L428-V441 HydrophobicContact CD2-CB 4.15Å; L428-V441 HydrophobicContact CD2-CG1 3.84Å; L428-V441 HydrophobicContact CD2-CG2 4.41Å
429T93.4Very high87.6Confident80 Ų8078.4 Ų78.449%0.49141%0.406SS..EExtended strand (participates in β ladder)trans-106.9131.2162.9-61.70000106.8E397 A398 R399E397-T429 HydrophobicContact CG-CG2 3.61Å; E397-T429 WeakPolarHBondContact OE1-CG2 3.42Å; A398-T429 WeakPolarHBondContact O-CA 3.33Å; R399-T429 HydrophobicContact CG-CG2 4.49Å
430I91.5Very high87.7Confident8 Ų878.9 Ų78.94%0.04140%0.396CS..EExtended strand (participates in β ladder)trans-148.8129.2-174.1-172.8175000110.7A398 L422 L428 V441 I459A398-I430 HydrophobicContact CB-CG2 4.06Å; A398-I430 PolarHBondContact N-O 3.14Å; A398-I430 PolarHBondContact O-N 3.38Å; L422-I430 HydrophobicContact CD1-CD1 3.8Å; L428-I430 HydrophobicContact CD1-CB 4.5Å; L428-I430 HydrophobicContact CD2-CB 4.31Å; L428-I430 HydrophobicContact CD2-CD1 4.41Å; L428-I430 HydrophobicContact CD2-CG2 4.19Å; L428-I430 HydrophobicContact CG-CB 4.16Å; L428-I430 HydrophobicContact CG-CG2 4.27Å; I430-V441 HydrophobicContact CD1-CG1 3.55Å; I430-I459 HydrophobicContact CD1-CD1 4.44Å; I430-I459 HydrophobicContact CG2-CD1 3.35Å
431D88.3Confident87.7Confident87 Ų8772.2 Ų72.247%0.46537%0.365SS..EExtended strand (participates in β ladder)trans-87.7141.8179.8-63.7-62.3000112.1R439D431-R439 WeakPolarHBondContact O-CD 3.35Å; D431-R439 PolarHBondContact O-NH1 3.37Å
432V84.8Confident87.8Confident2 Ų271.3 Ų71.31%0.01236%0.36CS..  trans-12580.9177-168.50000107.7T394 G396 R439 I459 R461T394-V432 HydrophobicContact CG2-CB 4.41Å; T394-V432 HydrophobicContact CG2-CG2 4.29Å; G396-V432 PolarHBondContact O-N 3.2Å; V432-R439 HydrophobicContact CG2-CG 4.43Å; V432-I459 HydrophobicContact CG2-CB 4.24Å; V432-I459 HydrophobicContact CG2-CG2 3.8Å; V432-R461 HydrophobicContact CB-CB 4.36Å; V432-R461 HydrophobicContact CG1-CB 3.99Å; V432-R461 VanDerWaalsContact O-CD 3.24Å; V432-R461 WeakPolarHBondContact O-CD 3.37Å
433E77.5Confident87.9Confident157 Ų15768.8 Ų68.873%0.73435%0.347SS*.  trans-66-47.5-173.5-60.4-177.9165.100112.6L435 R461E433-L435 PolarHBondContact O-N 3.4Å; E433-R461 WeakPolarHBondContact O-CD 3.01Å; E433-R461 PolarHBondContact O-NH1 2.86Å
434V73.3Confident87.9Confident96 Ų9668.3 Ų68.358%0.58234%0.343SS*.SBendtrans-78.4119.5-171.1-179.50000110.8G436 S437V434-G436 PolarHBondContact O-N 2.93Å; V434-S437 WeakPolarHBondContact O-CB 3.47Å; V434-S437 PolarHBondContact O-N 2.64Å; V434-S437 PolarHBondContact O-OG 2.77Å
435L68.8Low88Confident99 Ų9961.1 Ų61.152%0.51831%0.314SS..THydrogen-bonded Turntrans-53.9131.6175.3-73.6165.5000111.2E433 S437 R461 Y462E433-L435 PolarHBondContact O-N 3.4Å; L435-S437 PolarHBondContact O-N 2.79Å; L435-S437 VanDerWaalsContact O-N 3.13Å; L435-R461 HydrophobicContact CD2-CG 4.17Å; L435-Y462 WeakPolarHBondContact CD2-O 3.48Å
436G65.3Low87.9Confident27 Ų2758.4 Ų58.428%0.27830%0.3SS..THydrogen-bonded Turntrans75.3-12.3178.700000116V434 R460V434-G436 PolarHBondContact O-N 2.93Å; G436-R460 PolarHBondContact O-NE 2.8Å; G436-R460 PolarHBondContact O-NH2 2.71Å
437S76.3Confident87.7Confident41 Ų4156 Ų5629%0.28729%0.288SS..  trans-65.1153170.874.10000111.5V434 L435 R460V434-S437 WeakPolarHBondContact O-CB 3.47Å; V434-S437 PolarHBondContact O-N 2.64Å; V434-S437 PolarHBondContact O-OG 2.77Å; L435-S437 PolarHBondContact O-N 2.79Å; L435-S437 VanDerWaalsContact O-N 3.13Å; S437-R460 WeakPolarHBondContact O-CA 3.36Å; S437-R460 WeakPolarHBondContact O-CG 3.29Å
438S83.7Confident87.2Confident68 Ų6854.1 Ų54.148%0.47629%0.287SS..EExtended strand (participates in β ladder)trans-128.4110.6179.9-177.30000110.8I459S438-I459 CarbonylContact C-O 3.58Å; S438-I459 VanDerWaalsContact CA-O 3.28Å; S438-I459 WeakPolarHBondContact CA-O 3.45Å
439R91Very high86.6Confident84 Ų8458 Ų5832%0.31731%0.307SS..EExtended strand (participates in β ladder)trans-77.8150.1169.2-68.2-171.282157.25.7109.9E417 D431 V432 S458 I459E417-R439 WeakPolarHBondContact OE1-CA 3.02Å; E417-R439 VanDerWaalsContact OE1-CB 3.23Å; E417-R439 WeakPolarHBondContact OE1-CB 3.4Å; E417-R439 IonicContact OE1-NE 2.71Å; E417-R439 IonicContact OE2-CZ 2.84Å; E417-R439 IonicContact OE2-NE 2.64Å; E417-R439 PolarHBondContact OE2-NE 3.1Å; E417-R439 IonicContact OE2-NH2 2.65Å; E417-R439 PolarHBondContact OE2-NH2 2.89Å; D431-R439 WeakPolarHBondContact O-CD 3.35Å; D431-R439 PolarHBondContact O-NH1 3.37Å; V432-R439 HydrophobicContact CG2-CG 4.43Å; R439-S458 CarbonylContact O-C 3.55Å; R439-S458 WeakPolarHBondContact O-CA 3.42Å; R439-I459 PolarHBondContact N-O 3.08Å; R439-I459 PolarHBondContact O-N 2.73Å
440R93.5Very high86.3Confident167 Ų16756.9 Ų56.963%0.6331%0.312SS*.EExtended strand (participates in β ladder)trans-130.199.8179.9-176.1-177.3-72.3171.4-0.1110.4E417 A457E417-R440 PolarHBondContact OE1-N 3.03Å; R440-A457 WeakPolarHBondContact CA-O 3.41Å
441V94.5Very high86.1Confident0 Ų062.4 Ų62.40%034%0.336CS..EExtended strand (participates in β ladder)trans-96.5146.6-179.6-610000111.6L400 W415 K416 L422 L428 I430 T456 A457 I459L400-V441 HydrophobicContact CD1-CG2 3.61Å; W415-V441 HydrophobicContact CE3-CB 4.22Å; W415-V441 HydrophobicContact CE3-CG2 4.21Å; W415-V441 HydrophobicContact CZ3-CB 4.31Å; W415-V441 HydrophobicContact CZ3-CG2 3.8Å; K416-V441 CarbonylContact O-C 3.6Å; K416-V441 WeakPolarHBondContact O-CA 3.35Å; L422-V441 HydrophobicContact CD1-CG1 4.05Å; L428-V441 HydrophobicContact CD2-CB 4.15Å; L428-V441 HydrophobicContact CD2-CG1 3.84Å; L428-V441 HydrophobicContact CD2-CG2 4.41Å; I430-V441 HydrophobicContact CD1-CG1 3.55Å; V441-T456 WeakPolarHBondContact O-CA 3.35Å; V441-A457 HydrophobicContact CG2-CB 4.3Å; V441-A457 PolarHBondContact N-O 2.94Å; V441-A457 PolarHBondContact O-N 3.35Å; V441-I459 HydrophobicContact CG1-CD1 4.09Å; V441-I459 HydrophobicContact CG2-CD1 3.95Å; V441-I459 HydrophobicContact CG2-CG1 4.32Å
442T96.4Very high86.4Confident30 Ų3063 Ų6318%0.18434%0.336CS..EExtended strand (participates in β ladder)trans-118.6123.2174.2-52.90000108.8W415 K416 V444 L454 A455 T456W415-T442 CarbonylContact C-O 3.57Å; W415-T442 WeakPolarHBondContact CA-O 3.14Å; K416-T442 PolarHBondContact N-O 2.89Å; K416-T442 PolarHBondContact O-N 3.36Å; T442-V444 HydrophobicContact CG2-CG2 4.17Å; T442-L454 HydrophobicContact CG2-CB 4.02Å; T442-A455 CarbonylContact C-O 3.51Å; T442-A455 WeakPolarHBondContact CA-O 3.4Å; T442-T456 HydrophobicContact CG2-CG2 4.15Å
443C96.1Very high86.8Confident0 Ų066.9 Ų66.90%035%0.352CS..EExtended strand (participates in β ladder)trans-89.5123.4162.1177.50000108.9I380 C402 W415 L454 A455I380-C443 HydrophobicContact CD1-CB 4.08Å; I380-C443 HydrophobicContact CG1-CB 4.16Å; C402-C443 HydrophobicContact CB-CB 3.67Å; C402-C443 WeakPolarHBondContact CB-SG 3.24Å; C402-C443 WeakPolarHBondContact SG-CB 3.02Å; C402-C443 CovalentContact SG-SG 2.03Å; C402-C443 PolarHBondContact SG-SG 2.87Å; W415-C443 HydrophobicContact CD2-CB 4.14Å; W415-C443 HydrophobicContact CE3-CB 3.88Å; W415-C443 HydrophobicContact CH2-CB 4.1Å; W415-C443 HydrophobicContact CZ2-CB 4.34Å; W415-C443 HydrophobicContact CZ3-CB 3.84Å; C443-L454 CarbonylContact O-C 3.6Å; C443-L454 VanDerWaalsContact O-CA 3.23Å; C443-L454 WeakPolarHBondContact O-CA 3.48Å; C443-A455 PolarHBondContact N-O 3.02Å; C443-A455 PolarHBondContact O-N 2.01Å
444V95.9Very high87.7Confident10 Ų1064.8 Ų64.86%0.06135%0.345CS..EExtended strand (participates in β ladder)trans-103.1136.1167.1-174.60000108.3Q414 T442 E452 L454Q414-V444 HydrophobicContact CB-CB 4.48Å; Q414-V444 PolarHBondContact N-O 3.02Å; Q414-V444 PolarHBondContact O-N 3.44Å; T442-V444 HydrophobicContact CG2-CG2 4.17Å; V444-E452 HydrophobicContact CG1-CB 4.16Å; V444-E452 HydrophobicContact CG1-CG 4.48Å; V444-L454 HydrophobicContact CG2-CB 4.35Å
445T95.7Very high88.7Confident0 Ų061.1 Ų61.10%033%0.326CS..EExtended strand (participates in β ladder)trans-124.5146.817655.60000110.2F375 P378 A404 N412 Y413 E452 K453F375-T445 WeakPolarHBondContact CZ-O 3.35Å; F375-T445 WeakPolarHBondContact CZ-OG1 3.11Å; P378-T445 HydrophobicContact CB-CG2 3.87Å; P378-T445 HydrophobicContact CG-CG2 4.22Å; A404-T445 HydrophobicContact CB-CG2 3.86Å; N412-T445 WeakPolarHBondContact O-CA 3.12Å; Y413-T445 HydrophobicContact CD1-CG2 3.52Å; Y413-T445 HydrophobicContact CE1-CG2 3.6Å; Y413-T445 HydrophobicContact CG-CG2 4.32Å; T445-E452 WeakPolarHBondContact O-CA 3.44Å; T445-K453 PolarHBondContact N-O 2.84Å; T445-K453 PolarHBondContact O-N 2.87Å; T445-K453 PolarHBondContact OG1-O 2.7Å; T445-K453 VanDerWaalsContact OG1-O 3.11Å
446R93.6Very high89.9Confident90 Ų9060.8 Ų60.834%0.3433%0.327SS..EExtended strand (participates in β ladder)trans-124.1133.5-178.3-60.6-177.1168.3159.5-3.5111.9I410 V411 N412 K451 E452I410-R446 WeakPolarHBondContact CG2-O 3.36Å; V411-R446 HydrophobicContact CG2-CB 4.4Å; V411-R446 WeakPolarHBondContact CG2-O 3.18Å; V411-R446 PolarHBondContact N-O 3.19Å; N412-R446 HydrophobicContact CB-CB 4.16Å; N412-R446 HydrophobicContact CB-CG 4.49Å; N412-R446 PolarHBondContact O-N 2.88Å; R446-K451 WeakPolarHBondContact CA-O 3.31Å; R446-E452 HydrophobicContact CG-CG 4.25Å; R446-E452 IonicContact CZ-OE1 2.74Å; R446-E452 IonicContact NE-OE1 3.88Å; R446-E452 PolarHBondContact NE-OE1 2.87Å; R446-E452 IonicContact NH2-OE1 3.77Å; R446-E452 PolarHBondContact NH2-OE1 2.86Å
447S90.1Very high91.2Very high13 Ų1359.7 Ų59.79%0.09132%0.316CS..  trans-86.8168.2168.975.40000111.9D449 G450 K451S447-D449 PolarHBondContact O-N 2.7Å; S447-D449 PolarHBondContact OG-N 3.28Å; S447-G450 PolarHBondContact O-N 3.49Å; S447-K451 PolarHBondContact N-O 2.87Å; S447-K451 VanDerWaalsContact N-O 3.07Å
448C85.1Confident92Very high70 Ų7058.9 Ų58.947%0.47331%0.31SS..THydrogen-bonded Turntrans-55.7-32.1174.2-58.80000113.4V411 G450V411-C448 WeakPolarHBondContact CG1-SG 3.42Å; C448-G450 PolarHBondContact O-N 3.35Å; C448-G450 VanDerWaalsContact O-N 3.15Å
449D83.5Confident92.4Very high89 Ų8955.6 Ų55.648%0.47629%0.287SS..THydrogen-bonded Turntrans-74.67.9178.5-71.216.8000112.6R285 S447 K451R285-D449 IonicContact NH2-OD2 2.77Å; R285-D449 PolarHBondContact NH2-OD2 3.38Å; S447-D449 PolarHBondContact O-N 2.7Å; S447-D449 PolarHBondContact OG-N 3.28Å; D449-K451 HydrophobicContact CB-CG 4.4Å; D449-K451 PolarHBondContact O-N 2.99Å
450G86.8Confident92.3Very high57 Ų5756.7 Ų56.759%0.58829%0.291SS*.SBendtrans72.43.3-178.500000114.9S447 C448S447-G450 PolarHBondContact O-N 3.49Å; C448-G450 PolarHBondContact O-N 3.35Å; C448-G450 VanDerWaalsContact O-N 3.15Å
451K89.1Confident91.9Very high124 Ų12452.5 Ų52.554%0.53928%0.276SS..  trans-72.4135.5178.2-64.3-175.6178-177.70110.5F375 R446 S447 D449F375-K451 HydrophobicContact CD1-CB 4.24Å; F375-K451 HydrophobicContact CE1-CB 4.25Å; F375-K451 VanDerWaalsContact CE1-O 3.28Å; F375-K451 WeakPolarHBondContact CE1-O 3.44Å; R446-K451 WeakPolarHBondContact CA-O 3.31Å; S447-K451 PolarHBondContact N-O 2.87Å; S447-K451 VanDerWaalsContact N-O 3.07Å; D449-K451 HydrophobicContact CB-CG 4.4Å; D449-K451 PolarHBondContact O-N 2.99Å
452E93.5Very high91.1Very high100 Ų10058.6 Ų58.647%0.46730%0.3SS..EExtended strand (participates in β ladder)trans-98.6146.5172.8-49.2-155146.700111.7V444 T445 R446V444-E452 HydrophobicContact CG1-CB 4.16Å; V444-E452 HydrophobicContact CG1-CG 4.48Å; T445-E452 WeakPolarHBondContact O-CA 3.44Å; R446-E452 HydrophobicContact CG-CG 4.25Å; R446-E452 IonicContact CZ-OE1 2.74Å; R446-E452 IonicContact NE-OE1 3.88Å; R446-E452 PolarHBondContact NE-OE1 2.87Å; R446-E452 IonicContact NH2-OE1 3.77Å; R446-E452 PolarHBondContact NH2-OE1 2.86Å
453K94Very high89.5Confident83 Ų8359.1 Ų59.136%0.36131%0.311SS..EExtended strand (participates in β ladder)trans-137145.5159.5-75.2-174.6172.9-174.60109.4F375 S376 T445F375-K453 HydrophobicContact CD1-CD 4.03Å; F375-K453 HydrophobicContact CD1-CG 4.08Å; F375-K453 HydrophobicContact CE1-CB 3.85Å; F375-K453 HydrophobicContact CE1-CD 4.03Å; F375-K453 HydrophobicContact CE1-CG 3.62Å; F375-K453 HydrophobicContact CE2-CB 4.3Å; F375-K453 HydrophobicContact CG-CD 4.31Å; F375-K453 HydrophobicContact CZ-CB 3.63Å; F375-K453 HydrophobicContact CZ-CD 4.29Å; F375-K453 HydrophobicContact CZ-CG 3.93Å; F375-K453 WeakPolarHBondContact O-CE 3.22Å; F375-K453 PolarHBondContact O-NZ 2.68Å; S376-K453 WeakPolarHBondContact O-CD 3.39Å; T445-K453 PolarHBondContact N-O 2.84Å; T445-K453 PolarHBondContact O-N 2.87Å; T445-K453 PolarHBondContact OG1-O 2.7Å; T445-K453 VanDerWaalsContact OG1-O 3.11Å
454L95.3Very high87.3Confident112 Ų11267.3 Ų67.359%0.58635%0.352SS*.EExtended strand (participates in β ladder)trans-122.8154.7-175.265.185.8000112.4T442 C443 V444 T456T442-L454 HydrophobicContact CG2-CB 4.02Å; C443-L454 CarbonylContact O-C 3.6Å; C443-L454 VanDerWaalsContact O-CA 3.23Å; C443-L454 WeakPolarHBondContact O-CA 3.48Å; V444-L454 HydrophobicContact CG2-CB 4.35Å; L454-T456 HydrophobicContact CD1-CG2 4.45Å
455A94.5Very high84.9Confident20 Ų2076.2 Ų76.217%0.16539%0.39CS..EExtended strand (participates in β ladder)trans-139.1139.2166.900000109.2P378 I380 T442 C443P378-A455 HydrophobicContact CB-CB 4.2Å; P378-A455 HydrophobicContact CG-CB 3.79Å; P378-A455 WeakPolarHBondContact O-CB 3.34Å; I380-A455 HydrophobicContact CD1-CB 4.12Å; I380-A455 WeakPolarHBondContact CD1-O 3.28Å; I380-A455 HydrophobicContact CG1-CB 4.24Å; T442-A455 CarbonylContact C-O 3.51Å; T442-A455 WeakPolarHBondContact CA-O 3.4Å; C443-A455 PolarHBondContact N-O 3.02Å; C443-A455 PolarHBondContact O-N 2.01Å
456T94.4Very high82.1Confident91 Ų9181 Ų8156%0.55842%0.423SS*.EExtended strand (participates in β ladder)trans-108.6143.8179.253.20000110.5V441 T442 L454V441-T456 WeakPolarHBondContact O-CA 3.35Å; T442-T456 HydrophobicContact CG2-CG2 4.15Å; L454-T456 HydrophobicContact CD1-CG2 4.45Å
457A92.8Very high79.2Confident4 Ų486.2 Ų86.23%0.03345%0.449CS..EExtended strand (participates in β ladder)trans-136.8141.1172.100000110.6I380 F392 R440 V441I380-A457 HydrophobicContact CB-CB 4.38Å; I380-A457 HydrophobicContact CD1-CB 3.77Å; I380-A457 HydrophobicContact CG2-CB 4.1Å; F392-A457 HydrophobicContact CD2-CB 3.83Å; F392-A457 HydrophobicContact CE2-CB 3.73Å; R440-A457 WeakPolarHBondContact CA-O 3.41Å; V441-A457 HydrophobicContact CG2-CB 4.3Å; V441-A457 PolarHBondContact N-O 2.94Å; V441-A457 PolarHBondContact O-N 3.35Å
458S93.1Very high76.6Confident24 Ų2490.9 Ų90.917%0.16847%0.471CS..EExtended strand (participates in β ladder)trans-96.6139.5170.6-55.40000109.3G390 I391 F392 R439G390-S458 PolarHBondContact O-N 2.79Å; I391-S458 CarbonylContact C-O 3.2Å; I391-S458 WeakPolarHBondContact CA-O 3.32Å; F392-S458 PolarHBondContact N-O 3.23Å; R439-S458 CarbonylContact O-C 3.55Å; R439-S458 WeakPolarHBondContact O-CA 3.42Å
459I91.5Very high74.3Confident0 Ų092 Ų920%048%0.48CS..EExtended strand (participates in β ladder)trans-124.4124-178.7-41173.1000108.3F392 T394 A398 L400 I430 V432 S438 R439 V441F392-I459 HydrophobicContact CB-CG2 4.36Å; F392-I459 WeakPolarHBondContact O-CA 3.49Å; T394-I459 HydrophobicContact CG2-CG2 4.31Å; A398-I459 HydrophobicContact CB-CD1 4.3Å; A398-I459 HydrophobicContact CB-CG2 3.58Å; L400-I459 HydrophobicContact CD1-CD1 3.51Å; L400-I459 HydrophobicContact CD1-CG1 4.02Å; L400-I459 HydrophobicContact CG-CD1 4.38Å; I430-I459 HydrophobicContact CD1-CD1 4.44Å; I430-I459 HydrophobicContact CG2-CD1 3.35Å; V432-I459 HydrophobicContact CG2-CB 4.24Å; V432-I459 HydrophobicContact CG2-CG2 3.8Å; S438-I459 CarbonylContact C-O 3.58Å; S438-I459 VanDerWaalsContact CA-O 3.28Å; S438-I459 WeakPolarHBondContact CA-O 3.45Å; R439-I459 PolarHBondContact N-O 3.08Å; R439-I459 PolarHBondContact O-N 2.73Å; V441-I459 HydrophobicContact CG1-CD1 4.09Å; V441-I459 HydrophobicContact CG2-CD1 3.95Å; V441-I459 HydrophobicContact CG2-CG1 4.32Å
460R89.8Confident71.9Confident106 Ų10693 Ų9340%0.449%0.494SS..EExtended strand (participates in β ladder)trans-123.6130.8-177-159.6173-162.2-165.7-0.2110.5I391 F392 Y393 T394 G436 S437 Y462I391-R460 HydrophobicContact CG2-CB 3.76Å; F392-R460 PolarHBondContact O-N 2.67Å; Y393-R460 WeakPolarHBondContact CA-O 3.45Å; Y393-R460 HydrophobicContact CD1-CB 4.33Å; Y393-R460 HydrophobicContact CE1-CB 4.35Å; T394-R460 PolarHBondContact N-O 2.64Å; T394-R460 VanDerWaalsContact N-O 3.16Å; G436-R460 PolarHBondContact O-NE 2.8Å; G436-R460 PolarHBondContact O-NH2 2.71Å; S437-R460 WeakPolarHBondContact O-CA 3.36Å; S437-R460 WeakPolarHBondContact O-CG 3.29Å; R460-Y462 PolarHBondContact O-N 2.78Å
461R85.5Confident69.7Low79 Ų7995.1 Ų95.130%0.29850%0.496SS..EExtended strand (participates in β ladder)trans-64.5134.5167.4-161.3-178.5-166165.85.2108.2T394 E395 V432 E433 L435 G463T394-R461 CarbonylContact O-C 3.55Å; T394-R461 VanDerWaalsContact O-CA 3.29Å; T394-R461 WeakPolarHBondContact O-CA 3.22Å; E395-R461 PolarHBondContact O-NE 3.32Å; E395-R461 PolarHBondContact O-NH2 3.17Å; V432-R461 HydrophobicContact CB-CB 4.36Å; V432-R461 HydrophobicContact CG1-CB 3.99Å; V432-R461 VanDerWaalsContact O-CD 3.24Å; V432-R461 WeakPolarHBondContact O-CD 3.37Å; E433-R461 WeakPolarHBondContact O-CD 3.01Å; E433-R461 PolarHBondContact O-NH1 2.86Å; L435-R461 HydrophobicContact CD2-CG 4.17Å; R461-G463 PolarHBondContact O-N 3.19Å
462Y77Confident67.2Low128 Ų12896.7 Ų96.750%0.50250%0.503SS..  trans-52.7113.1167.5-75.5-70.6000107.7Y393 T394 E395 L435 R460 M464Y393-Y462 VanDerWaalsContact CB-CZ 3.41Å; Y393-Y462 HydrophobicContact CD1-CD1 4.12Å; Y393-Y462 HydrophobicContact CD1-CE1 4.16Å; Y393-Y462 HydrophobicContact CG-CD1 4.4Å; Y393-Y462 HydrophobicContact CG-CE1 4.01Å; T394-Y462 VanDerWaalsContact C-CD2 3.42Å; T394-Y462 WeakPolarHBondContact O-CD2 3.43Å; T394-Y462 PolarHBondContact O-N 3.15Å; E395-Y462 HydrophobicContact CG-CD2 3.88Å; E395-Y462 HydrophobicContact CG-CE2 4.35Å; L435-Y462 WeakPolarHBondContact CD2-O 3.48Å; R460-Y462 PolarHBondContact O-N 2.78Å; Y462-M464 PolarHBondContact O-N 3.06Å
463G63Low64.5Low42 Ų42100.4 Ų100.443%0.43352%0.518SS..  trans-58.8133.8161.100000107R461 F465R461-G463 PolarHBondContact O-N 3.19Å; G463-F465 PolarHBondContact O-N 3Å
464M50Low62Low172 Ų172102.1 Ų102.185%0.84753%0.531SS*.  trans-51.5130159.4-89.8-170.5171.900106.7Y462 S466Y462-M464 PolarHBondContact O-N 3.06Å; M464-S466 VanDerWaalsContact C-N 3.34Å; M464-S466 PolarHBondContact O-N 3.45Å
465F45.2Very low59.3Low196 Ų196100 Ų10086%0.8653%0.525SS*.  trans-54.6111.6152.7-75.9-90.1000105.3G463 K467G463-F465 PolarHBondContact O-N 3Å; F465-K467 PolarHBondContact O-N 2.91Å
466S37.2Very low56.8Low101 Ų101108.1 Ų108.171%0.70655%0.551SS**  trans-49.7129.8162.741.80000105.9M464 I468M464-S466 VanDerWaalsContact C-N 3.34Å; M464-S466 PolarHBondContact O-N 3.45Å; S466-I468 PolarHBondContact O-N 3.2Å
467K32.8Very low54.4Low200 Ų200111 Ų11187%0.8756%0.558SS**  trans-50.9117.4-179.6-80.3179.9174.8176.60107.3F465 S469F465-K467 PolarHBondContact O-N 2.91Å; K467-S469 PolarHBondContact O-N 2.98Å
468I35.4Very low52Low111 Ų111112.9 Ų112.957%0.56957%0.573SS**  trans-69.382.3160-60.2178000104.8S466 S470 F472S466-I468 PolarHBondContact O-N 3.2Å; I468-S470 PolarHBondContact O-N 2.97Å; I468-F472 HydrophobicContact CG2-CD2 4.45Å
469S35.1Very low49.6Very low92 Ų92118.9 Ų118.964%0.64360%0.597SS**  trans-56.6126.8168.546.30000107.7K467K467-S469 PolarHBondContact O-N 2.98Å
470S35Very low47.4Very low112 Ų112127 Ų12778%0.78363%0.629SS**SBendtrans49.985.617452.40000115.6I468I468-S470 PolarHBondContact O-N 2.97Å
471T38.9Very low45.2Very low101 Ų101125.5 Ų125.562%0.6263%0.634SS**SBendtrans-176.5-36.8143.217.60000113.1F473T471-F473 VanDerWaalsContact C-N 3.31Å; T471-F473 PolarHBondContact O-N 3.13Å; T471-F473 VanDerWaalsContact O-N 3.13Å
472F37.6Very low43.2Very low156 Ų156128 Ų12868%0.68465%0.649SS**THydrogen-bonded Turntrans-81.19.7-164.1-107.7-83.6000117.5I468I468-F472 HydrophobicContact CG2-CD2 4.45Å
473F37.7Very low41.5Very low179 Ų179124.6 Ų124.679%0.78564%0.644SS**THydrogen-bonded Turntrans-87.1-28.7178.7-114.8-89.1000113.9T471 C475 R476T471-F473 VanDerWaalsContact C-N 3.31Å; T471-F473 PolarHBondContact O-N 3.13Å; T471-F473 VanDerWaalsContact O-N 3.13Å; F473-C475 VanDerWaalsContact C-N 3.31Å; F473-C475 PolarHBondContact O-N 3.14Å; F473-R476 PolarHBondContact O-N 2.79Å
474D41.3Very low40.5Very low118 Ų118129.9 Ų129.963%0.63166%0.658SS**Hα-helixtrans-61.1-37.1-179.9-71.4-65.9000113.2R476 Q477 A478D474-R476 PolarHBondContact O-N 3.12Å; D474-R476 VanDerWaalsContact O-N 3.08Å; D474-Q477 PolarHBondContact O-N 2.78Å; D474-A478 PolarHBondContact O-N 3.48Å
475C37.1Very low40.2Very low68 Ų68126 Ų12646%0.45964%0.643SS.*Hα-helixtrans-63.5-21.3-177.4-153.50000112.7F473 F479F473-C475 VanDerWaalsContact C-N 3.31Å; F473-C475 PolarHBondContact O-N 3.14Å; C475-F479 PolarHBondContact O-N 3.31Å
476R42.2Very low40.1Very low191 Ų191122.8 Ų122.872%0.72163%0.634SS**Hα-helixtrans-85.7-19.5176.9-136.6176.7-168.9-178.82.7113.9F473 D474F473-R476 PolarHBondContact O-N 2.79Å; D474-R476 PolarHBondContact O-N 3.12Å; D474-R476 VanDerWaalsContact O-N 3.08Å
477Q43.7Very low40.5Very low151 Ų151125.4 Ų125.471%0.70664%0.638SS**Hα-helixtrans-83.2-37.3165.6-78.1-174.9-26.400111.3D474 F479 Y480 S481D474-Q477 PolarHBondContact O-N 2.78Å; Q477-F479 VanDerWaalsContact C-N 3.33Å; Q477-F479 PolarHBondContact O-N 3.23Å; Q477-Y480 PolarHBondContact O-N 2.9Å; Q477-Y480 VanDerWaalsContact O-N 3.15Å; Q477-S481 PolarHBondContact O-N 3.32Å; Q477-S481 PolarHBondContact O-OG 2.68Å
478A44.1Very low41.1Very low43 Ų43120.1 Ų120.136%0.35563%0.627SS.*Hα-helixtrans-57.2-41.9174.900000113.2D474 Y480 S481 Q482D474-A478 PolarHBondContact O-N 3.48Å; A478-Y480 VanDerWaalsContact C-N 3.35Å; A478-Y480 PolarHBondContact O-N 3.43Å; A478-S481 PolarHBondContact O-OG 2.82Å; A478-S481 VanDerWaalsContact O-OG 3.12Å; A478-Q482 PolarHBondContact O-N 2.91Å; A478-Q482 VanDerWaalsContact O-N 3.15Å
479F41.6Very low41.5Very low150 Ų150123 Ų12366%0.65864%0.635SS**Hα-helixtrans-70.7-26.3177.8-104.5-87.2000114.3C475 Q477 S483C475-F479 PolarHBondContact O-N 3.31Å; Q477-F479 VanDerWaalsContact C-N 3.33Å; Q477-F479 PolarHBondContact O-N 3.23Å; F479-S483 WeakPolarHBondContact O-CB 3.11Å; F479-S483 PolarHBondContact O-N 3.13Å; F479-S483 PolarHBondContact O-OG 3.09Å
480Y44.5Very low42Very low172 Ų172126.5 Ų126.568%0.67565%0.646SS**Hα-helixtrans-84.6-28.1176-93.6-86.3000113.2Q477 A478 S483Q477-Y480 PolarHBondContact O-N 2.9Å; Q477-Y480 VanDerWaalsContact O-N 3.15Å; A478-Y480 VanDerWaalsContact C-N 3.35Å; A478-Y480 PolarHBondContact O-N 3.43Å; Y480-S483 PolarHBondContact O-OG 3.1Å
481S44.5Very low42.2Very low73 Ų73132.3 Ų132.351%0.5167%0.668SS.*Hα-helixtrans-76.2-36.3174.462.90000112.7Q477 A478Q477-S481 PolarHBondContact O-N 3.32Å; Q477-S481 PolarHBondContact O-OG 2.68Å; A478-S481 PolarHBondContact O-OG 2.82Å; A478-S481 VanDerWaalsContact O-OG 3.12Å
482Q42.9Very low42.4Very low132 Ų132133.9 Ų133.962%0.61767%0.67SS**Hα-helixtrans-74.7-32.5176.8-70.3-172.1-12.600113.4A478 Q484 V485A478-Q482 PolarHBondContact O-N 2.91Å; A478-Q482 VanDerWaalsContact O-N 3.15Å; Q482-Q484 VanDerWaalsContact C-N 3.27Å; Q482-Q484 PolarHBondContact O-N 2.85Å; Q482-V485 PolarHBondContact O-N 3.12Å
483S41.6Very low42.7Very low57 Ų57132.7 Ų132.740%0.39967%0.669SS.*Hα-helixtrans-70.7-17-179.356.50000114.8F479 Y480F479-S483 WeakPolarHBondContact O-CB 3.11Å; F479-S483 PolarHBondContact O-N 3.13Å; F479-S483 PolarHBondContact O-OG 3.09Å; Y480-S483 PolarHBondContact O-OG 3.1Å
484Q41.9Very low42.9Very low152 Ų152130.2 Ų130.271%0.7166%0.663SS**THydrogen-bonded Turntrans-87.7-10174.6-70.6-168.2-23.900114Q482Q482-Q484 VanDerWaalsContact C-N 3.27Å; Q482-Q484 PolarHBondContact O-N 2.85Å
485V44Very low43Very low91 Ų91130.9 Ų130.955%0.55267%0.665SS**THydrogen-bonded Turntrans-91.8-13.5-177.3178.40000112.9Q482Q482-V485 PolarHBondContact O-N 3.12Å
486I43.4Very low43.4Very low128 Ų128134.8 Ų134.866%0.65668%0.678SS**SBendtrans-95.8-19.4-174.2-63.5174.1000112.7
487I45.6Very low43.5Very low157 Ų157131.1 Ų131.181%0.80568%0.675SS**THydrogen-bonded Turntrans-88.3-10-177.7-61.9176.6000112.2
488S44.8Very low43.5Very low89 Ų89129.6 Ų129.662%0.62267%0.672SS**THydrogen-bonded Turntrans-107.417.2-176.150.40000114.6
489K43.9Very low43.4Very low172 Ų172136.3 Ų136.375%0.74870%0.697SS**SBendtrans-135.116.6-172.9-98-172.5174.4-174.90116.7
490N46.4Very low43.6Very low164 Ų164135.2 Ų135.288%0.87770%0.7SS**  trans-125.769.3167.8-79.5-44.9000109.7
491L39.7Very low43.5Very low235 Ų235131.8 Ų131.8100%1.2370%0.702SS**  trans-131.90165.4-151.3178.8000105.8

Retrieved 491 of 491 residues in 401.8 ms (Link to these results)

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