A0A3Q0KFT4_SCHMA Loading...

Tar DNA-binding protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KFT4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 446 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.5Very low73.1Confident239 Ų23992.8 Ų92.8100%1.17744%0.44SS*.  0100.30-76.4176.3171.500106.7L3M1-L3 PolarHBondContact O-N 3.33Å
2Q48.4Very low73.3Confident147 Ų14789.5 Ų89.569%0.68743%0.43SS*.  trans-64.2116.1168.3-83.5162.7-40.800106.6T4 D24Q2-T4 PolarHBondContact O-N 3.12Å; Q2-T4 VanDerWaalsContact O-N 3.12Å; Q2-D24 VanDerWaalsContact NE2-CG 3.33Å; Q2-D24 PolarHBondContact NE2-OD1 2.76Å; Q2-D24 PolarHBondContact NE2-OD2 2.93Å; Q2-D24 VanDerWaalsContact NE2-OD2 3.15Å
3L55.5Low73.1Confident157 Ų15791.8 Ų91.882%0.82244%0.44SS*.  trans-70.2102.3170.4-82.2147.4000106M1 R5M1-L3 PolarHBondContact O-N 3.33Å; L3-R5 PolarHBondContact O-N 3.4Å; L3-R5 VanDerWaalsContact O-N 3.08Å
4T62.6Low73.1Confident87 Ų8796.7 Ų96.753%0.53447%0.47SS..  trans-59.3115.1170.340.20000107.7Q2 Y6Q2-T4 PolarHBondContact O-N 3.12Å; Q2-T4 VanDerWaalsContact O-N 3.12Å; T4-Y6 VanDerWaalsContact O-CD2 3.31Å; T4-Y6 WeakPolarHBondContact O-CD2 3.14Å; T4-Y6 VanDerWaalsContact O-CE2 3.3Å; T4-Y6 WeakPolarHBondContact O-CE2 3.33Å; T4-Y6 WeakPolarHBondContact OG1-CE2 3.18Å; T4-Y6 PolarHBondContact OG1-OH 3.13Å
5R78.9Confident73.4Confident116 Ų11695.2 Ų95.244%0.43847%0.465SS..  trans-86.2141175.8-64.8175.6176.7-176.44.4107.8L3 L22 D26L3-R5 PolarHBondContact O-N 3.4Å; L3-R5 VanDerWaalsContact O-N 3.08Å; R5-L22 HydrophobicContact CB-CB 4.29Å; R5-L22 HydrophobicContact CB-CD1 3.78Å; R5-L22 HydrophobicContact CB-CG 4.48Å; R5-L22 WeakPolarHBondContact O-CB 3.43Å; R5-L22 PolarHBondContact O-N 2.82Å; R5-D26 WeakPolarHBondContact CD-OD1 3.46Å; R5-D26 IonicContact CZ-OD1 3.99Å; R5-D26 IonicContact CZ-OD2 2.74Å; R5-D26 IonicContact NE-OD1 3.29Å; R5-D26 IonicContact NH1-OD1 3.28Å; R5-D26 PolarHBondContact NH1-OD1 2.89Å; R5-D26 IonicContact NH1-OD2 3.39Å; R5-D26 PolarHBondContact NH1-OD2 2.93Å
6Y83.2Confident73.9Confident104 Ų10499.6 Ų99.641%0.40848%0.484SS..EExtended strand (participates in β ladder)trans-121145.3-178.9-65.2-91.4000110.2T4 E19 V20 P21T4-Y6 VanDerWaalsContact O-CD2 3.31Å; T4-Y6 WeakPolarHBondContact O-CD2 3.14Å; T4-Y6 VanDerWaalsContact O-CE2 3.3Å; T4-Y6 WeakPolarHBondContact O-CE2 3.33Å; T4-Y6 WeakPolarHBondContact OG1-CE2 3.18Å; T4-Y6 PolarHBondContact OG1-OH 3.13Å; Y6-E19 HydrophobicContact CD1-CB 4.21Å; Y6-E19 HydrophobicContact CG-CB 4.42Å; Y6-V20 WeakPolarHBondContact CA-O 3.29Å; Y6-P21 HydrophobicContact CD1-CB 4.28Å; Y6-P21 HydrophobicContact CE1-CB 4.03Å
7V87.1Confident74.5Confident0 Ų096.3 Ų96.30%047%0.473CS..EExtended strand (participates in β ladder)trans-113.9139.3173.455.40000110I9 E19 V20 L22 L28 W71 F76V7-I9 HydrophobicContact CG1-CD1 3.79Å; V7-I9 HydrophobicContact CG1-CG1 4Å; V7-I9 HydrophobicContact CG2-CG1 4.06Å; V7-E19 WeakPolarHBondContact O-CA 3.34Å; V7-V20 HydrophobicContact CG1-CB 4.22Å; V7-V20 WeakPolarHBondContact CG1-O 3.47Å; V7-V20 PolarHBondContact N-O 2.74Å; V7-V20 PolarHBondContact O-N 2.82Å; V7-L22 HydrophobicContact CB-CD2 4.28Å; V7-L22 HydrophobicContact CG1-CD2 3.85Å; V7-L22 HydrophobicContact CG1-CG 4.34Å; V7-L28 HydrophobicContact CG1-CD1 4.29Å; V7-L28 HydrophobicContact CG1-CD2 4.27Å; V7-W71 HydrophobicContact CB-CB 4.28Å; V7-W71 HydrophobicContact CB-CD2 4.3Å; V7-W71 HydrophobicContact CB-CE3 3.96Å; V7-W71 HydrophobicContact CB-CG 4.5Å; V7-W71 HydrophobicContact CG2-CB 4.35Å; V7-W71 HydrophobicContact CG2-CD2 4.17Å; V7-W71 HydrophobicContact CG2-CE3 3.39Å; V7-W71 HydrophobicContact CG2-CZ3 3.97Å; V7-F76 HydrophobicContact CG2-CD2 3.4Å; V7-F76 HydrophobicContact CG2-CE2 3.67Å; V7-F76 HydrophobicContact CG2-CG 4.23Å
8K87.2Confident75.1Confident101 Ų10194.8 Ų94.844%0.43947%0.466SS..EExtended strand (participates in β ladder)trans-86.1115.8177.2-68.2-178-178-176.90110.6P17 E19 F76K8-P17 HydrophobicContact CB-CB 4.14Å; K8-E19 VanDerWaalsContact CE-OE1 3.28Å; K8-E19 WeakPolarHBondContact CE-OE1 3.16Å; K8-E19 HydrophobicContact CG-CG 4.05Å; K8-F76 PolarHBondContact O-N 2.86Å
9I88Confident75.7Confident0 Ų095.9 Ų95.90%047%0.47CS..EExtended strand (participates in β ladder)trans-125.1131.5-176-53-176.2000110.3V7 P17 I18 V20 L28 L33 F37 L43 F76V7-I9 HydrophobicContact CG1-CD1 3.79Å; V7-I9 HydrophobicContact CG1-CG1 4Å; V7-I9 HydrophobicContact CG2-CG1 4.06Å; I9-P17 CarbonylContact O-C 3.58Å; I9-P17 WeakPolarHBondContact O-CA 3.35Å; I9-I18 PolarHBondContact N-O 2.91Å; I9-I18 PolarHBondContact O-N 2.76Å; I9-V20 HydrophobicContact CB-CG2 4.38Å; I9-V20 HydrophobicContact CD1-CB 3.96Å; I9-V20 HydrophobicContact CD1-CG2 3.8Å; I9-V20 HydrophobicContact CG1-CG2 4.24Å; I9-L28 HydrophobicContact CD1-CD2 3.55Å; I9-L33 HydrophobicContact CD1-CD1 3.69Å; I9-L33 HydrophobicContact CG2-CD1 4.05Å; I9-F37 HydrophobicContact CB-CE2 4.16Å; I9-F37 HydrophobicContact CG2-CD2 4.29Å; I9-F37 HydrophobicContact CG2-CE2 3.61Å; I9-F37 HydrophobicContact CG2-CZ 4.15Å; I9-L43 HydrophobicContact CD1-CD1 3.89Å; I9-L43 HydrophobicContact CD1-CD2 4.3Å; I9-L43 HydrophobicContact CG2-CD2 3.69Å; I9-F76 CarbonylContact C-O 3.52Å; I9-F76 VanDerWaalsContact CA-O 3.24Å; I9-F76 WeakPolarHBondContact CA-O 3.33Å; I9-F76 HydrophobicContact CG1-CB 4.44Å
10C86Confident76.3Confident4 Ų491.2 Ų91.23%0.02745%0.447CS..EExtended strand (participates in β ladder)trans-121151.7173.662.20000111.9T12 F76 C77 C78C10-T12 WeakPolarHBondContact CB-O 3.49Å; C10-T12 PolarHBondContact SG-O 3.36Å; C10-F76 PolarHBondContact N-O 3.21Å; C10-C77 CarbonylContact O-C 3.52Å; C10-C77 VanDerWaalsContact O-CA 3.29Å; C10-C77 WeakPolarHBondContact O-CA 3.49Å; C10-C78 PolarHBondContact O-N 3.22Å
11E84.3Confident76.8Confident66 Ų6689.5 Ų89.531%0.30844%0.443SS..SBendtrans-72.8-49.7176.1-165.6-172.7151.100110.9F37 F80 K104E11-F37 HydrophobicContact CB-CD1 4.08Å; E11-F37 HydrophobicContact CB-CE1 3.85Å; E11-F37 HydrophobicContact CG-CD1 4.26Å; E11-F80 HydrophobicContact CG-CE2 3.71Å; E11-F80 HydrophobicContact CG-CZ 3.68Å; E11-K104 WeakPolarHBondContact OE1-CE 3.38Å; E11-K104 IonicContact OE1-NZ 3.54Å; E11-K104 PolarHBondContact OE1-NZ 3.08Å; E11-K104 IonicContact OE2-NZ 2.67Å
12T75.5Confident78.9Confident53 Ų5378.9 Ų78.933%0.32539%0.391SS..SBendtrans-127.2166.3173.265.40000110.2C10 D14 D15C10-T12 WeakPolarHBondContact CB-O 3.49Å; C10-T12 PolarHBondContact SG-O 3.36Å; T12-D14 PolarHBondContact O-N 2.99Å; T12-D15 PolarHBondContact N-OD2 3.45Å; T12-D15 PolarHBondContact O-N 2.95Å; T12-D15 PolarHBondContact OG1-OD2 3.26Å
13E70.9Confident80.8Confident120 Ų12075.3 Ų75.356%0.56137%0.374SS*.THydrogen-bonded Turntrans-64.2-22.3-177.3-63.8-169.5124.600113.5Y53E13-Y53 PolarHBondContact OE1-OH 2.81Å; E13-Y53 PolarHBondContact OE2-OH 2.84Å; E13-Y53 VanDerWaalsContact OE2-OH 3.13Å
14D72.7Confident82Confident160 Ų16074.2 Ų74.286%0.85637%0.369SS*.THydrogen-bonded Turntrans-91.5-8.1-178.3-57.2-52.6000112.9T12T12-D14 PolarHBondContact O-N 2.99Å
15D77.7Confident82.8Confident74 Ų7474 Ų7440%0.39637%0.365SS..SBendtrans-87.1148.8-178.6-76-49.3000112.5T12T12-D15 PolarHBondContact N-OD2 3.45Å; T12-D15 PolarHBondContact O-N 2.95Å; T12-D15 PolarHBondContact OG1-OD2 3.26Å
16Q81.1Confident83Confident165 Ų16571 Ų7177%0.77136%0.357SS*.PPolyproline II helixtrans-61.6125.8174.2-175.666.333.300110
17P84.2Confident83.2Confident44 Ų4466.1 Ų66.129%0.28634%0.338SS..PPolyproline II helixtrans-66.6138.417926.3-34.6000111.2K8 I9 T75K8-P17 HydrophobicContact CB-CB 4.14Å; I9-P17 CarbonylContact O-C 3.58Å; I9-P17 WeakPolarHBondContact O-CA 3.35Å; P17-T75 HydrophobicContact CB-CG2 4.33Å
18I85.4Confident83.3Confident70 Ų7066.1 Ų66.136%0.35934%0.338SS..EExtended strand (participates in β ladder)trans-99.5136173.6-60.7178.9000108.4I9 V20 F37I9-I18 PolarHBondContact N-O 2.91Å; I9-I18 PolarHBondContact O-N 2.76Å; I18-V20 HydrophobicContact CG2-CG2 4.22Å; I18-F37 HydrophobicContact CB-CZ 4.45Å; I18-F37 HydrophobicContact CD1-CE1 4.32Å; I18-F37 HydrophobicContact CD1-CZ 3.91Å; I18-F37 HydrophobicContact CG1-CZ 4.44Å
19E87.8Confident83.4Confident115 Ų11562.9 Ų62.954%0.53733%0.326SS..EExtended strand (participates in β ladder)trans-87.1114.8174.2-74.5-174.4163.900110Y6 V7 K8Y6-E19 HydrophobicContact CD1-CB 4.21Å; Y6-E19 HydrophobicContact CG-CB 4.42Å; V7-E19 WeakPolarHBondContact O-CA 3.34Å; K8-E19 VanDerWaalsContact CE-OE1 3.28Å; K8-E19 WeakPolarHBondContact CE-OE1 3.16Å; K8-E19 HydrophobicContact CG-CG 4.05Å
20V87.4Confident83.3Confident2 Ų264.1 Ų64.11%0.01233%0.332CS..EExtended strand (participates in β ladder)trans-107.5132.5-179-172.50000109.2Y6 V7 I9 I18 L28 T32 Q36Y6-V20 WeakPolarHBondContact CA-O 3.29Å; V7-V20 HydrophobicContact CG1-CB 4.22Å; V7-V20 WeakPolarHBondContact CG1-O 3.47Å; V7-V20 PolarHBondContact N-O 2.74Å; V7-V20 PolarHBondContact O-N 2.82Å; I9-V20 HydrophobicContact CB-CG2 4.38Å; I9-V20 HydrophobicContact CD1-CB 3.96Å; I9-V20 HydrophobicContact CD1-CG2 3.8Å; I9-V20 HydrophobicContact CG1-CG2 4.24Å; I18-V20 HydrophobicContact CG2-CG2 4.22Å; V20-L28 HydrophobicContact CB-CD1 4.25Å; V20-L28 HydrophobicContact CG1-CD1 3.56Å; V20-T32 HydrophobicContact CG1-CG2 3.53Å; V20-Q36 HydrophobicContact CG2-CG 4.46Å
21P87.2Confident83.3Confident56 Ų5667.3 Ų67.336%0.36436%0.355SS..EExtended strand (participates in β ladder)trans-68.3143.1-178.828.3-35.2000111.6Y6 L28 T32Y6-P21 HydrophobicContact CD1-CB 4.28Å; Y6-P21 HydrophobicContact CE1-CB 4.03Å; P21-L28 WeakPolarHBondContact O-CD1 3.33Å; P21-T32 HydrophobicContact CG-CG2 4.29Å
22L86.9Confident83.5Confident15 Ų1565.7 Ų65.78%0.07935%0.349CS..PPolyproline II helixtrans-94153171.8-62.8170.2000110.4R5 V7 L28 W71R5-L22 HydrophobicContact CB-CB 4.29Å; R5-L22 HydrophobicContact CB-CD1 3.78Å; R5-L22 HydrophobicContact CB-CG 4.48Å; R5-L22 WeakPolarHBondContact O-CB 3.43Å; R5-L22 PolarHBondContact O-N 2.82Å; V7-L22 HydrophobicContact CB-CD2 4.28Å; V7-L22 HydrophobicContact CG1-CD2 3.85Å; V7-L22 HydrophobicContact CG1-CG 4.34Å; L22-L28 HydrophobicContact CD2-CB 3.78Å; L22-L28 HydrophobicContact CD2-CD1 4.31Å; L22-W71 HydrophobicContact CD1-CB 4.11Å; L22-W71 HydrophobicContact CD1-CD2 4.27Å; L22-W71 HydrophobicContact CD1-CG 3.65Å; L22-W71 HydrophobicContact CD2-CD2 4.09Å; L22-W71 HydrophobicContact CD2-CG 4.35Å; L22-W71 HydrophobicContact CD2-CZ2 4.03Å
23E86.9Confident84.1Confident73 Ų7363.2 Ų63.234%0.34133%0.334SS..PPolyproline II helixtrans-73167.2171.6-64.8-65.4120.900111.2D25 D26 T27 L29E23-D25 WeakPolarHBondContact CB-OD1 3.42Å; E23-D25 PolarHBondContact O-N 2.67Å; E23-D25 VanDerWaalsContact O-N 3.08Å; E23-D26 PolarHBondContact O-N 3.34Å; E23-D26 VanDerWaalsContact O-N 3.09Å; E23-T27 WeakPolarHBondContact CB-O 3.44Å; E23-T27 PolarHBondContact N-O 3.09Å; E23-L29 VanDerWaalsContact CD-CD1 3.47Å; E23-L29 HydrophobicContact CG-CD1 3.9Å; E23-L29 HydrophobicContact CG-CG 3.75Å; E23-L29 VanDerWaalsContact OE1-CD1 3.31Å; E23-L29 WeakPolarHBondContact OE1-CD1 3.33Å
24D81.1Confident84.9Confident133 Ų13360.1 Ų60.171%0.71132%0.323SS*.THydrogen-bonded Turntrans-59.6-20.4179.6-74.9-40.9000113.7Q2Q2-D24 VanDerWaalsContact NE2-CG 3.33Å; Q2-D24 PolarHBondContact NE2-OD1 2.76Å; Q2-D24 PolarHBondContact NE2-OD2 2.93Å; Q2-D24 VanDerWaalsContact NE2-OD2 3.15Å
25D80.6Confident85.6Confident83 Ų8356.1 Ų56.144%0.44431%0.313SS..THydrogen-bonded Turntrans-92.813179.766.1-6.4000113.8E23 T27 R62E23-D25 WeakPolarHBondContact CB-OD1 3.42Å; E23-D25 PolarHBondContact O-N 2.67Å; E23-D25 VanDerWaalsContact O-N 3.08Å; D25-T27 PolarHBondContact O-N 3.22Å; D25-T27 VanDerWaalsContact OD1-CB 3.29Å; D25-T27 WeakPolarHBondContact OD1-CB 3.19Å; D25-T27 PolarHBondContact OD1-N 3Å; D25-T27 PolarHBondContact OD1-OG1 3.08Å; D25-T27 PolarHBondContact OD2-OG1 2.91Å; D25-T27 VanDerWaalsContact OD2-OG1 3.06Å; D25-R62 IonicContact OD1-NH1 2.76Å; D25-R62 IonicContact OD2-CZ 3.12Å; D25-R62 IonicContact OD2-NH1 3.92Å; D25-R62 PolarHBondContact OD2-NH1 3.1Å
26D82.9Confident86Confident52 Ų5257.8 Ų57.828%0.27832%0.318SS..SBendtrans61.115.6-172.6-74.2-44.7000114R5 E23 W71R5-D26 WeakPolarHBondContact CD-OD1 3.46Å; R5-D26 IonicContact CZ-OD1 3.99Å; R5-D26 IonicContact CZ-OD2 2.74Å; R5-D26 IonicContact NE-OD1 3.29Å; R5-D26 IonicContact NH1-OD1 3.28Å; R5-D26 PolarHBondContact NH1-OD1 2.89Å; R5-D26 IonicContact NH1-OD2 3.39Å; R5-D26 PolarHBondContact NH1-OD2 2.93Å; E23-D26 PolarHBondContact O-N 3.34Å; E23-D26 VanDerWaalsContact O-N 3.09Å; D26-W71 PolarHBondContact O-NE1 3.36Å
27T87Confident86.2Confident2 Ų250.6 Ų50.61%0.01228%0.284CS..  trans-94156.317372.60000111.6E23 D25 R62 L63 F64E23-T27 WeakPolarHBondContact CB-O 3.44Å; E23-T27 PolarHBondContact N-O 3.09Å; D25-T27 PolarHBondContact O-N 3.22Å; D25-T27 VanDerWaalsContact OD1-CB 3.29Å; D25-T27 WeakPolarHBondContact OD1-CB 3.19Å; D25-T27 PolarHBondContact OD1-N 3Å; D25-T27 PolarHBondContact OD1-OG1 3.08Å; D25-T27 PolarHBondContact OD2-OG1 2.91Å; D25-T27 VanDerWaalsContact OD2-OG1 3.06Å; T27-R62 PolarHBondContact OG1-NH1 3.3Å; T27-L63 WeakPolarHBondContact CA-O 3.47Å; T27-L63 WeakPolarHBondContact CB-O 3.46Å; T27-F64 HydrophobicContact CG2-CD1 3.95Å; T27-F64 HydrophobicContact CG2-CE1 3.9Å; T27-F64 HydrophobicContact CG2-CG 4.39Å; T27-F64 HydrophobicContact CG2-CZ 4.26Å
28L87.8Confident85.8Confident0 Ų053 Ų530%030%0.3CS..EExtended strand (participates in β ladder)trans-107.6125171.1176.373.1000109.2V7 I9 V20 P21 L22 L33 L43 L63 W71V7-L28 HydrophobicContact CG1-CD1 4.29Å; V7-L28 HydrophobicContact CG1-CD2 4.27Å; I9-L28 HydrophobicContact CD1-CD2 3.55Å; V20-L28 HydrophobicContact CB-CD1 4.25Å; V20-L28 HydrophobicContact CG1-CD1 3.56Å; P21-L28 WeakPolarHBondContact O-CD1 3.33Å; L22-L28 HydrophobicContact CD2-CB 3.78Å; L22-L28 HydrophobicContact CD2-CD1 4.31Å; L28-L33 HydrophobicContact CD2-CB 4.41Å; L28-L33 HydrophobicContact CD2-CD1 4.35Å; L28-L43 HydrophobicContact CD2-CD1 3.66Å; L28-L63 HydrophobicContact CB-CB 4.09Å; L28-L63 HydrophobicContact CD2-CD1 3.95Å; L28-L63 HydrophobicContact CG-CD1 4.38Å; L28-L63 PolarHBondContact N-O 2.77Å; L28-L63 WeakPolarHBondContact O-CB 3.25Å; L28-L63 PolarHBondContact O-N 3.45Å; L28-W71 HydrophobicContact CB-CH2 4.14Å; L28-W71 HydrophobicContact CB-CZ2 4.28Å
29L89.4Confident85.5Confident33 Ų3355.7 Ų55.717%0.17332%0.315CS..EExtended strand (participates in β ladder)trans-70.8135.1174.7-69.5169.5000111.6E23 S31 T32 L33 R62E23-L29 VanDerWaalsContact CD-CD1 3.47Å; E23-L29 HydrophobicContact CG-CD1 3.9Å; E23-L29 HydrophobicContact CG-CG 3.75Å; E23-L29 VanDerWaalsContact OE1-CD1 3.31Å; E23-L29 WeakPolarHBondContact OE1-CD1 3.33Å; L29-S31 PolarHBondContact O-N 2.9Å; L29-T32 WeakPolarHBondContact O-CB 3.27Å; L29-T32 PolarHBondContact O-N 3.09Å; L29-T32 VanDerWaalsContact O-N 3.14Å; L29-L33 PolarHBondContact O-N 3.3Å; L29-R62 HydrophobicContact CD2-CG 3.81Å
30L87.6Confident85.3Confident26 Ų2650.3 Ų50.314%0.13629%0.29CS..Hα-helixtrans-62.7-31.3172.3-175.463.3000111L33 T34 L58 D61L30-L33 HydrophobicContact CD1-CD2 4.11Å; L30-L33 PolarHBondContact O-N 3.22Å; L30-T34 HydrophobicContact CD1-CG2 4.08Å; L30-T34 HydrophobicContact CG-CG2 4.11Å; L30-T34 WeakPolarHBondContact O-CB 3.25Å; L30-T34 VanDerWaalsContact O-CG2 3.25Å; L30-T34 WeakPolarHBondContact O-CG2 3.42Å; L30-T34 PolarHBondContact O-N 2.95Å; L30-T34 PolarHBondContact O-OG1 3.15Å; L30-L58 HydrophobicContact CB-CD1 4.26Å; L30-L58 HydrophobicContact CD1-CD1 4.5Å; L30-L58 HydrophobicContact CD2-CD1 4.25Å; L30-L58 HydrophobicContact CD2-CD2 4.31Å; L30-D61 HydrophobicContact CB-CB 4.11Å; L30-D61 WeakPolarHBondContact CB-O 3.31Å; L30-D61 PolarHBondContact N-O 3.12Å
31S86.4Confident85.1Confident71 Ų7153.2 Ų53.250%0.49731%0.308SS..Hα-helixtrans-62.6-43172.556.20000111.9L29 L33 T34 A35L29-S31 PolarHBondContact O-N 2.9Å; S31-L33 VanDerWaalsContact C-N 3.35Å; S31-T34 WeakPolarHBondContact CA-OG1 3.49Å; S31-T34 PolarHBondContact O-N 3.06Å; S31-T34 PolarHBondContact O-OG1 2.77Å; S31-T34 VanDerWaalsContact O-OG1 3.14Å; S31-A35 VanDerWaalsContact O-CB 3.29Å; S31-A35 WeakPolarHBondContact O-CB 3.48Å; S31-A35 PolarHBondContact O-N 2.89Å
32T88Confident85.1Confident33 Ų3351 Ų5120%0.20230%0.295CS..Hα-helixtrans-66-39.6175.1-52.20000111V20 P21 L29V20-T32 HydrophobicContact CG1-CG2 3.53Å; P21-T32 HydrophobicContact CG-CG2 4.29Å; L29-T32 WeakPolarHBondContact O-CB 3.27Å; L29-T32 PolarHBondContact O-N 3.09Å; L29-T32 VanDerWaalsContact O-N 3.14Å
33L88.2Confident85.1Confident0 Ų050.4 Ų50.40%029%0.292CS..Hα-helixtrans-65.6-45.6175.8-17665.3000112.2I9 L28 L29 L30 S31 A35 Q36 F37 C40 L43 L63I9-L33 HydrophobicContact CD1-CD1 3.69Å; I9-L33 HydrophobicContact CG2-CD1 4.05Å; L28-L33 HydrophobicContact CD2-CB 4.41Å; L28-L33 HydrophobicContact CD2-CD1 4.35Å; L29-L33 PolarHBondContact O-N 3.3Å; L30-L33 HydrophobicContact CD1-CD2 4.11Å; L30-L33 PolarHBondContact O-N 3.22Å; S31-L33 VanDerWaalsContact C-N 3.35Å; L33-A35 VanDerWaalsContact C-N 3.31Å; L33-A35 PolarHBondContact O-N 2.58Å; L33-Q36 PolarHBondContact O-N 2.95Å; L33-F37 HydrophobicContact CD1-CD2 3.84Å; L33-F37 HydrophobicContact CD1-CE2 4.37Å; L33-F37 PolarHBondContact O-N 2.95Å; L33-C40 HydrophobicContact CD2-CB 4.29Å; L33-C40 VanDerWaalsContact CD2-SG 3.51Å; L33-C40 HydrophobicContact CG-CB 4.18Å; L33-L43 HydrophobicContact CD1-CD2 3.93Å; L33-L43 HydrophobicContact CD1-CG 4.49Å; L33-L43 HydrophobicContact CD2-CD1 4.34Å; L33-L43 HydrophobicContact CD2-CD2 3.94Å; L33-L43 HydrophobicContact CD2-CG 3.86Å; L33-L63 HydrophobicContact CD2-CD1 3.59Å
34T86.7Confident85.2Confident55 Ų5550 Ų5034%0.33729%0.289SS..Hα-helixtrans-72.4-24.2-179.551.90000112.8L30 S31 Q36 F37 C40L30-T34 HydrophobicContact CD1-CG2 4.08Å; L30-T34 HydrophobicContact CG-CG2 4.11Å; L30-T34 WeakPolarHBondContact O-CB 3.25Å; L30-T34 VanDerWaalsContact O-CG2 3.25Å; L30-T34 WeakPolarHBondContact O-CG2 3.42Å; L30-T34 PolarHBondContact O-N 2.95Å; L30-T34 PolarHBondContact O-OG1 3.15Å; S31-T34 WeakPolarHBondContact CA-OG1 3.49Å; S31-T34 PolarHBondContact O-N 3.06Å; S31-T34 PolarHBondContact O-OG1 2.77Å; S31-T34 VanDerWaalsContact O-OG1 3.14Å; T34-Q36 VanDerWaalsContact C-N 3.31Å; T34-F37 WeakPolarHBondContact CA-O 3.45Å; T34-F37 CarbonylContact O-C 3.51Å; T34-C40 WeakPolarHBondContact CG2-O 3.39Å
35A87.3Confident85.5Confident77 Ų7744 Ų4464%0.63626%0.256SS*.Hα-helixtrans-64.9-33.8170.800000112.6S31 L33S31-A35 VanDerWaalsContact O-CB 3.29Å; S31-A35 WeakPolarHBondContact O-CB 3.48Å; S31-A35 PolarHBondContact O-N 2.89Å; L33-A35 VanDerWaalsContact C-N 3.31Å; L33-A35 PolarHBondContact O-N 2.58Å
36Q85.8Confident85.5Confident108 Ų10847.6 Ų47.651%0.50526%0.264SS..Hα-helixtrans-89.2-39.1175.1-60.6-58.2-29.800112.1V20 L33 T34V20-Q36 HydrophobicContact CG2-CG 4.46Å; L33-Q36 PolarHBondContact O-N 2.95Å; T34-Q36 VanDerWaalsContact C-N 3.31Å
37F85.3Confident85.2Confident14 Ų1445.4 Ų45.46%0.06125%0.252CS..SBendtrans-12487.6-177.2-57-78000110.2I9 E11 I18 L33 T34 D39 C40 C78I9-F37 HydrophobicContact CB-CE2 4.16Å; I9-F37 HydrophobicContact CG2-CD2 4.29Å; I9-F37 HydrophobicContact CG2-CE2 3.61Å; I9-F37 HydrophobicContact CG2-CZ 4.15Å; E11-F37 HydrophobicContact CB-CD1 4.08Å; E11-F37 HydrophobicContact CB-CE1 3.85Å; E11-F37 HydrophobicContact CG-CD1 4.26Å; I18-F37 HydrophobicContact CB-CZ 4.45Å; I18-F37 HydrophobicContact CD1-CE1 4.32Å; I18-F37 HydrophobicContact CD1-CZ 3.91Å; I18-F37 HydrophobicContact CG1-CZ 4.44Å; L33-F37 HydrophobicContact CD1-CD2 3.84Å; L33-F37 HydrophobicContact CD1-CE2 4.37Å; L33-F37 PolarHBondContact O-N 2.95Å; T34-F37 WeakPolarHBondContact CA-O 3.45Å; T34-F37 CarbonylContact O-C 3.51Å; F37-D39 PolarHBondContact O-N 3.49Å; F37-C40 HydrophobicContact CB-CB 3.77Å; F37-C40 WeakPolarHBondContact O-CB 3.45Å; F37-C40 PolarHBondContact O-N 2.84Å; F37-C40 VanDerWaalsContact O-N 3.12Å; F37-C78 VanDerWaalsContact CD2-SG 3.54Å; F37-C78 VanDerWaalsContact CG-SG 3.54Å
38P76.5Confident84.5Confident94 Ų9449 Ų4961%0.6129%0.29SS*.THydrogen-bonded Turntrans-57.4135173.524.8-32.3000108.7
39D80Confident83.7Confident127 Ų12755.6 Ų55.668%0.67933%0.325SS*.THydrogen-bonded Turntrans80.60-174.8-49.8-34.7000117.4F37 T41 F80 P81F37-D39 PolarHBondContact O-N 3.49Å; D39-T41 PolarHBondContact O-N 2.9Å; D39-F80 HydrophobicContact CB-CD1 3.97Å; D39-F80 HydrophobicContact CB-CE1 4.29Å; D39-F80 VanDerWaalsContact O-CD1 3.31Å; D39-F80 WeakPolarHBondContact O-CD1 3.43Å; D39-P81 VanDerWaalsContact O-CD 3.25Å; D39-P81 WeakPolarHBondContact O-CD 3.31Å
40C83.5Confident82.9Confident3 Ų357.1 Ų57.12%0.0234%0.339CS..  trans-70.1122.4175.2-169.30000111.3L33 T34 F37 G42 C78 F80L33-C40 HydrophobicContact CD2-CB 4.29Å; L33-C40 VanDerWaalsContact CD2-SG 3.51Å; L33-C40 HydrophobicContact CG-CB 4.18Å; T34-C40 WeakPolarHBondContact CG2-O 3.39Å; F37-C40 HydrophobicContact CB-CB 3.77Å; F37-C40 WeakPolarHBondContact O-CB 3.45Å; F37-C40 PolarHBondContact O-N 2.84Å; F37-C40 VanDerWaalsContact O-N 3.12Å; C40-G42 PolarHBondContact SG-O 2.73Å; C40-C78 HydrophobicContact CB-CB 4.4Å; C40-C78 VanDerWaalsContact SG-CB 3.5Å; C40-C78 VanDerWaalsContact SG-SG 3.6Å; C40-F80 HydrophobicContact CB-CE1 4.16Å
41T82.2Confident82.4Confident63 Ų6357.4 Ų57.439%0.38735%0.348SS..  trans-103-4.7179.751.60000113.8D39 V79 P81D39-T41 PolarHBondContact O-N 2.9Å; T41-V79 PolarHBondContact N-O 3.37Å; T41-V79 PolarHBondContact OG1-O 2.77Å; T41-P81 HydrophobicContact CG2-CB 4.01Å; T41-P81 HydrophobicContact CG2-CG 3.67Å; T41-P81 WeakPolarHBondContact OG1-CD 3.4Å
42G86.4Confident82Confident8 Ų857.8 Ų57.88%0.08235%0.349CS..EExtended strand (participates in β ladder)trans171.9-176.517900000112.1C40 V79C40-G42 PolarHBondContact SG-O 2.73Å; G42-V79 PolarHBondContact N-O 3.12Å; G42-V79 WeakPolarHBondContact O-CB 3.37Å; G42-V79 PolarHBondContact O-N 3.24Å
43L88.7Confident81.7Confident3 Ų361.1 Ų61.12%0.01636%0.359CS..EExtended strand (participates in β ladder)trans-122.6148.1179.5-66.6175.3000110.4I9 L28 L33 V56 L63 W71 F76 C77I9-L43 HydrophobicContact CD1-CD1 3.89Å; I9-L43 HydrophobicContact CD1-CD2 4.3Å; I9-L43 HydrophobicContact CG2-CD2 3.69Å; L28-L43 HydrophobicContact CD2-CD1 3.66Å; L33-L43 HydrophobicContact CD1-CD2 3.93Å; L33-L43 HydrophobicContact CD1-CG 4.49Å; L33-L43 HydrophobicContact CD2-CD1 4.34Å; L33-L43 HydrophobicContact CD2-CD2 3.94Å; L33-L43 HydrophobicContact CD2-CG 3.86Å; L43-V56 HydrophobicContact CB-CB 3.86Å; L43-V56 HydrophobicContact CB-CG2 3.57Å; L43-V56 PolarHBondContact O-N 3.02Å; L43-L63 HydrophobicContact CD1-CD1 4.03Å; L43-L63 HydrophobicContact CG-CD1 4.22Å; L43-W71 HydrophobicContact CD1-CZ3 4.43Å; L43-F76 HydrophobicContact CB-CB 4.41Å; L43-F76 HydrophobicContact CB-CD1 4.42Å; L43-F76 HydrophobicContact CD1-CB 4.33Å; L43-F76 HydrophobicContact CD2-CB 4.33Å; L43-C77 WeakPolarHBondContact CA-O 3.37Å
44K87.7Confident81.4Confident65 Ų6564.6 Ų64.628%0.28337%0.372SS..EExtended strand (participates in β ladder)trans-128.7150168.363.8175.8-179.2165.30108.9Y53 R54 F76 C77 V79K44-Y53 HydrophobicContact CD-CD1 3.87Å; K44-Y53 HydrophobicContact CD-CE1 4.38Å; K44-Y53 HydrophobicContact CD-CG 4.05Å; K44-Y53 HydrophobicContact CG-CD1 4.18Å; K44-R54 CarbonylContact C-O 3.48Å; K44-R54 VanDerWaalsContact CA-O 3.25Å; K44-R54 WeakPolarHBondContact CA-O 3.4Å; K44-F76 CarbonylContact O-C 3.49Å; K44-F76 WeakPolarHBondContact O-CA 3.31Å; K44-C77 HydrophobicContact CG-CB 3.98Å; K44-C77 PolarHBondContact N-O 2.85Å; K44-C77 PolarHBondContact O-N 3.08Å; K44-V79 HydrophobicContact CB-CG2 3.72Å; K44-V79 HydrophobicContact CD-CG2 4.05Å; K44-V79 HydrophobicContact CG-CG2 3.69Å
45Y86.9Confident81.3Confident6 Ų665 Ų652%0.02439%0.388CS..EExtended strand (participates in β ladder)trans-136.7154.417572.5-78.2000110Y53 R54 V56 P66 N74 F76Y45-Y53 CarbonylContact O-C 3.6Å; Y45-Y53 VanDerWaalsContact O-CA 3.27Å; Y45-Y53 WeakPolarHBondContact O-CA 3.24Å; Y45-R54 HydrophobicContact CD1-CB 3.95Å; Y45-R54 WeakPolarHBondContact CD1-O 3.48Å; Y45-R54 HydrophobicContact CE1-CB 3.38Å; Y45-R54 HydrophobicContact CE1-CG 4.46Å; Y45-R54 HydrophobicContact CE2-CB 4.32Å; Y45-R54 PolarHBondContact N-O 3.12Å; Y45-R54 PolarHBondContact O-N 2.95Å; Y45-R54 WeakPolarHBondContact OH-CD 3.39Å; Y45-V56 HydrophobicContact CD1-CG2 4.18Å; Y45-P66 HydrophobicContact CD1-CG 4.24Å; Y45-P66 HydrophobicContact CE1-CB 3.79Å; Y45-P66 HydrophobicContact CE1-CG 3.72Å; Y45-P66 WeakPolarHBondContact OH-CB 3.34Å; Y45-N74 HydrophobicContact CD2-CB 4.27Å; Y45-F76 HydrophobicContact CD1-CD1 4.16Å; Y45-F76 AromaticContact CD1-CE1 3.72Å; Y45-F76 HydrophobicContact CD1-CE1 3.72Å; Y45-F76 HydrophobicContact CG-CD1 4.15Å; Y45-F76 AromaticContact CG-CE1 3.81Å; Y45-F76 HydrophobicContact CG-CE1 3.81Å; Y45-F76 HydrophobicContact CG-CZ 4.48Å
46R81.7Confident81.3Confident160 Ų16062.1 Ų62.160%0.60436%0.362SS*.EExtended strand (participates in β ladder)trans-84124.1176.9-164.1172.9-177.6-148.5-1.5109.4G51R46-G51 WeakPolarHBondContact CG-O 3.29Å; R46-G51 PolarHBondContact NE-O 2.89Å
47S75.9Confident81.3Confident5 Ų565.2 Ų65.24%0.03537%0.369CS..  trans-74.4133.4175173.40000110.6D49 S50 G51 C52 R54S47-D49 VanDerWaalsContact C-N 3.29Å; S47-D49 PolarHBondContact O-N 2.77Å; S47-D49 PolarHBondContact OG-N 3.13Å; S47-S50 WeakPolarHBondContact CB-OG 3.28Å; S47-G51 WeakPolarHBondContact O-CA 3.48Å; S47-G51 PolarHBondContact O-N 2.93Å; S47-C52 PolarHBondContact N-O 3.22Å; S47-R54 PolarHBondContact OG-NE 2.88Å; S47-R54 PolarHBondContact OG-NH2 2.92Å
48G72.9Confident81.4Confident78 Ų7868 Ų6880%0.80438%0.384SS*.THydrogen-bonded Turntrans-62.2-33.9173.600000113.5
49D71.9Confident81.9Confident138 Ų13867.3 Ų67.374%0.73838%0.375SS*.THydrogen-bonded Turntrans-77.8-43.8-175.6-47.6-52000112.7S47 R54S47-D49 VanDerWaalsContact C-N 3.29Å; S47-D49 PolarHBondContact O-N 2.77Å; S47-D49 PolarHBondContact OG-N 3.13Å; D49-R54 IonicContact OD2-NH2 3.33Å; D49-R54 PolarHBondContact OD2-NH2 3.29Å
50S72.5Confident82Confident66 Ų6667.9 Ų67.946%0.46238%0.378SS..THydrogen-bonded Turntrans-104.3-13.7-171.763.40000113.9S47 C52S47-S50 WeakPolarHBondContact CB-OG 3.28Å; S50-C52 PolarHBondContact O-N 2.5Å
51G76.8Confident82Confident31 Ų3172.7 Ų72.732%0.3240%0.404SS..  trans66.6-4.4-173.900000114.7R46 S47R46-G51 WeakPolarHBondContact CG-O 3.29Å; R46-G51 PolarHBondContact NE-O 2.89Å; S47-G51 WeakPolarHBondContact O-CA 3.48Å; S47-G51 PolarHBondContact O-N 2.93Å
52C77.6Confident82.3Confident79 Ų7973.6 Ų73.653%0.53440%0.4SS..SBendtrans-84.7158177.8-66.90000111.5S47 S50S47-C52 PolarHBondContact N-O 3.22Å; S50-C52 PolarHBondContact O-N 2.5Å
53Y82.4Confident82.3Confident104 Ų10473.2 Ų73.241%0.40840%0.396SS..EExtended strand (participates in β ladder)trans-74.5127.2169.3-61.9-78.8000110.8E13 K44 Y45E13-Y53 PolarHBondContact OE1-OH 2.81Å; E13-Y53 PolarHBondContact OE2-OH 2.84Å; E13-Y53 VanDerWaalsContact OE2-OH 3.13Å; K44-Y53 HydrophobicContact CD-CD1 3.87Å; K44-Y53 HydrophobicContact CD-CE1 4.38Å; K44-Y53 HydrophobicContact CD-CG 4.05Å; K44-Y53 HydrophobicContact CG-CD1 4.18Å; Y45-Y53 CarbonylContact O-C 3.6Å; Y45-Y53 VanDerWaalsContact O-CA 3.27Å; Y45-Y53 WeakPolarHBondContact O-CA 3.24Å
54R81.4Confident82.2Confident72 Ų7276.5 Ų76.527%0.27241%0.41SS..EExtended strand (participates in β ladder)trans-99.3134.3166.3-69.8-178.2-176.9170.78.5108.3K44 Y45 S47 D49 D68K44-R54 CarbonylContact C-O 3.48Å; K44-R54 VanDerWaalsContact CA-O 3.25Å; K44-R54 WeakPolarHBondContact CA-O 3.4Å; Y45-R54 HydrophobicContact CD1-CB 3.95Å; Y45-R54 WeakPolarHBondContact CD1-O 3.48Å; Y45-R54 HydrophobicContact CE1-CB 3.38Å; Y45-R54 HydrophobicContact CE1-CG 4.46Å; Y45-R54 HydrophobicContact CE2-CB 4.32Å; Y45-R54 PolarHBondContact N-O 3.12Å; Y45-R54 PolarHBondContact O-N 2.95Å; Y45-R54 WeakPolarHBondContact OH-CD 3.39Å; S47-R54 PolarHBondContact OG-NE 2.88Å; S47-R54 PolarHBondContact OG-NH2 2.92Å; D49-R54 IonicContact OD2-NH2 3.33Å; D49-R54 PolarHBondContact OD2-NH2 3.29Å; R54-D68 IonicContact NH1-OD2 3.48Å; R54-D68 PolarHBondContact NH1-OD2 3.14Å; R54-D68 VanDerWaalsContact NH1-OD2 3.12Å
55G84Confident81.9Confident64 Ų6475.4 Ų75.466%0.6641%0.41SS*.EExtended strand (participates in β ladder)trans-77.4146.6172.800000110.9
56V87.1Confident81.4Confident16 Ų1675.7 Ų75.710%0.09741%0.413CS..PPolyproline II helixtrans-85.2137170.5-177.30000108.5L43 Y45 L58 L63 F64 W71 F76L43-V56 HydrophobicContact CB-CB 3.86Å; L43-V56 HydrophobicContact CB-CG2 3.57Å; L43-V56 PolarHBondContact O-N 3.02Å; Y45-V56 HydrophobicContact CD1-CG2 4.18Å; V56-L58 PolarHBondContact O-N 2.76Å; V56-L63 HydrophobicContact CB-CD2 4.07Å; V56-L63 HydrophobicContact CG1-CB 4.05Å; V56-L63 HydrophobicContact CG1-CD2 3.76Å; V56-F64 WeakPolarHBondContact CG1-O 3.35Å; V56-W71 HydrophobicContact CG1-CH2 4.08Å; V56-W71 HydrophobicContact CG1-CZ3 4.45Å; V56-F76 HydrophobicContact CG2-CD1 3.5Å; V56-F76 HydrophobicContact CG2-CE1 3.59Å
57R86.5Confident80.7Confident174 Ų17474.6 Ų74.666%0.65742%0.423SS*.EExtended strand (participates in β ladder)trans-71.5121.3-179.5-179176.8-175.4167.10.2109.7L63 F64R57-L63 WeakPolarHBondContact O-CA 3.3Å; R57-F64 HydrophobicContact CB-CB 4.39Å; R57-F64 PolarHBondContact O-N 3.38Å
58L86.9Confident80.1Confident73 Ų7378.1 Ų78.138%0.38244%0.442SS..EExtended strand (participates in β ladder)trans-102.8128.8170.8179.271.7000109.2L30 V56 R62 L63L30-L58 HydrophobicContact CB-CD1 4.26Å; L30-L58 HydrophobicContact CD1-CD1 4.5Å; L30-L58 HydrophobicContact CD2-CD1 4.25Å; L30-L58 HydrophobicContact CD2-CD2 4.31Å; V56-L58 PolarHBondContact O-N 2.76Å; L58-R62 WeakPolarHBondContact CA-O 3.4Å; L58-L63 HydrophobicContact CB-CD2 4.02Å; L58-L63 HydrophobicContact CD1-CD2 4.04Å; L58-L63 HydrophobicContact CD1-CG 3.8Å
59L86.5Confident79.5Confident78 Ų7877.1 Ų77.141%0.40843%0.432SS..EExtended strand (participates in β ladder)trans-147.3129.6173.9177.471.9000108.6D61 R62 F64L59-D61 VanDerWaalsContact C-N 3.35Å; L59-D61 PolarHBondContact O-N 2.78Å; L59-R62 PolarHBondContact N-O 2.85Å; L59-R62 WeakPolarHBondContact O-CA 3.46Å; L59-R62 WeakPolarHBondContact O-CB 3.38Å; L59-R62 PolarHBondContact O-N 3.18Å; L59-R62 VanDerWaalsContact O-O 3.08Å; L59-F64 HydrophobicContact CB-CD2 4.32Å; L59-F64 HydrophobicContact CB-CE2 3.83Å; L59-F64 HydrophobicContact CD2-CE2 4.29Å
60D83.2Confident79.4Confident140 Ų14076.5 Ų76.575%0.74943%0.425SS*.THydrogen-bonded Turntrans47.551178.2-58.4-35000113.8R62D60-R62 PolarHBondContact O-N 2.75Å; D60-R62 VanDerWaalsContact O-N 3.09Å
61D83.8Confident79.5Confident104 Ų10473.7 Ų73.756%0.55640%0.404SS*.THydrogen-bonded Turntrans58.518.3-176.8-60.6-37000115L30 L59L30-D61 HydrophobicContact CB-CB 4.11Å; L30-D61 WeakPolarHBondContact CB-O 3.31Å; L30-D61 PolarHBondContact N-O 3.12Å; L59-D61 VanDerWaalsContact C-N 3.35Å; L59-D61 PolarHBondContact O-N 2.78Å
62R87.3Confident79Confident81 Ų8177.2 Ų77.231%0.30641%0.412SS..EExtended strand (participates in β ladder)trans-119.4129.6175.5-69.5174.5179.4-91.4-8.9111D25 T27 L29 L58 L59 D60 F64D25-R62 IonicContact OD1-NH1 2.76Å; D25-R62 IonicContact OD2-CZ 3.12Å; D25-R62 IonicContact OD2-NH1 3.92Å; D25-R62 PolarHBondContact OD2-NH1 3.1Å; T27-R62 PolarHBondContact OG1-NH1 3.3Å; L29-R62 HydrophobicContact CD2-CG 3.81Å; L58-R62 WeakPolarHBondContact CA-O 3.4Å; L59-R62 PolarHBondContact N-O 2.85Å; L59-R62 WeakPolarHBondContact O-CA 3.46Å; L59-R62 WeakPolarHBondContact O-CB 3.38Å; L59-R62 PolarHBondContact O-N 3.18Å; L59-R62 VanDerWaalsContact O-O 3.08Å; D60-R62 PolarHBondContact O-N 2.75Å; D60-R62 VanDerWaalsContact O-N 3.09Å; R62-F64 HydrophobicContact CB-CE2 4.06Å
63L87.3Confident78.7Confident0 Ų077.2 Ų77.20%043%0.426CS..EExtended strand (participates in β ladder)trans-94.3120.3174.3-72.7148.3000108.8T27 L28 L33 L43 V56 R57 L58 W71T27-L63 WeakPolarHBondContact CA-O 3.47Å; T27-L63 WeakPolarHBondContact CB-O 3.46Å; L28-L63 HydrophobicContact CB-CB 4.09Å; L28-L63 HydrophobicContact CD2-CD1 3.95Å; L28-L63 HydrophobicContact CG-CD1 4.38Å; L28-L63 PolarHBondContact N-O 2.77Å; L28-L63 WeakPolarHBondContact O-CB 3.25Å; L28-L63 PolarHBondContact O-N 3.45Å; L33-L63 HydrophobicContact CD2-CD1 3.59Å; L43-L63 HydrophobicContact CD1-CD1 4.03Å; L43-L63 HydrophobicContact CG-CD1 4.22Å; V56-L63 HydrophobicContact CB-CD2 4.07Å; V56-L63 HydrophobicContact CG1-CB 4.05Å; V56-L63 HydrophobicContact CG1-CD2 3.76Å; R57-L63 WeakPolarHBondContact O-CA 3.3Å; L58-L63 HydrophobicContact CB-CD2 4.02Å; L58-L63 HydrophobicContact CD1-CD2 4.04Å; L58-L63 HydrophobicContact CD1-CG 3.8Å; L63-W71 HydrophobicContact CB-CH2 4.3Å
64F85.8Confident78.4Confident72 Ų7274.6 Ų74.632%0.31642%0.418SS..EExtended strand (participates in β ladder)trans-88.9147.4-177.8-73.6-98.1000111T27 V56 R57 L59 R62T27-F64 HydrophobicContact CG2-CD1 3.95Å; T27-F64 HydrophobicContact CG2-CE1 3.9Å; T27-F64 HydrophobicContact CG2-CG 4.39Å; T27-F64 HydrophobicContact CG2-CZ 4.26Å; V56-F64 WeakPolarHBondContact CG1-O 3.35Å; R57-F64 HydrophobicContact CB-CB 4.39Å; R57-F64 PolarHBondContact O-N 3.38Å; L59-F64 HydrophobicContact CB-CD2 4.32Å; L59-F64 HydrophobicContact CB-CE2 3.83Å; L59-F64 HydrophobicContact CD2-CE2 4.29Å; R62-F64 HydrophobicContact CB-CE2 4.06Å
65P82.5Confident78.4Confident43 Ų4374.5 Ų74.528%0.27943%0.426SS..PPolyproline II helixtrans-57.3149.3176.322.1-31.2000110.9W71P65-W71 HydrophobicContact CB-CZ2 4.33Å
66P75.9Confident78.5Confident12 Ų1271.4 Ų71.48%0.07840%0.395CS..PPolyproline II helixtrans-57.2159.9172.2-19.330.5000112Y45 D68 G69 F76Y45-P66 HydrophobicContact CD1-CG 4.24Å; Y45-P66 HydrophobicContact CE1-CB 3.79Å; Y45-P66 HydrophobicContact CE1-CG 3.72Å; Y45-P66 WeakPolarHBondContact OH-CB 3.34Å; P66-D68 PolarHBondContact O-N 3.32Å; P66-G69 PolarHBondContact O-N 2.91Å; P66-F76 HydrophobicContact CG-CE1 3.8Å; P66-F76 HydrophobicContact CG-CZ 3.84Å
67T66.9Low78.4Confident136 Ų13671.1 Ų71.183%0.83439%0.393SS*.THydrogen-bonded Turntrans-54.2-20-179.844.30000114.6G69T67-G69 PolarHBondContact O-N 3.14Å
68D62.8Low78.5Confident79 Ų7963.2 Ų63.242%0.42236%0.364SS..THydrogen-bonded Turntrans-82.61.9178.5-47.3-34.8000112R54 P66 Q70R54-D68 IonicContact NH1-OD2 3.48Å; R54-D68 PolarHBondContact NH1-OD2 3.14Å; R54-D68 VanDerWaalsContact NH1-OD2 3.12Å; P66-D68 PolarHBondContact O-N 3.32Å; D68-Q70 PolarHBondContact O-N 2.98Å; D68-Q70 VanDerWaalsContact O-N 3.13Å
69G61.2Low78.3Confident58 Ų5862.2 Ų62.260%0.59836%0.361SS*.SBendtrans69.96.917000000115.5P66 T67P66-G69 PolarHBondContact O-N 2.91Å; T67-G69 PolarHBondContact O-N 3.14Å
70Q68.6Low78.1Confident124 Ų12461.7 Ų61.758%0.57936%0.355SS*.  trans-130.2109.4-170-65.4165.828.800110.6D68D68-Q70 PolarHBondContact O-N 2.98Å; D68-Q70 VanDerWaalsContact O-N 3.13Å
71W75.3Confident77.6Confident7 Ų758.7 Ų58.73%0.02734%0.344CS..SBendtrans-63.5-32.6158.3-65.4107.3000111.2V7 L22 D26 L28 L43 V56 L63 P65 G73 F76V7-W71 HydrophobicContact CB-CB 4.28Å; V7-W71 HydrophobicContact CB-CD2 4.3Å; V7-W71 HydrophobicContact CB-CE3 3.96Å; V7-W71 HydrophobicContact CB-CG 4.5Å; V7-W71 HydrophobicContact CG2-CB 4.35Å; V7-W71 HydrophobicContact CG2-CD2 4.17Å; V7-W71 HydrophobicContact CG2-CE3 3.39Å; V7-W71 HydrophobicContact CG2-CZ3 3.97Å; L22-W71 HydrophobicContact CD1-CB 4.11Å; L22-W71 HydrophobicContact CD1-CD2 4.27Å; L22-W71 HydrophobicContact CD1-CG 3.65Å; L22-W71 HydrophobicContact CD2-CD2 4.09Å; L22-W71 HydrophobicContact CD2-CG 4.35Å; L22-W71 HydrophobicContact CD2-CZ2 4.03Å; D26-W71 PolarHBondContact O-NE1 3.36Å; L28-W71 HydrophobicContact CB-CH2 4.14Å; L28-W71 HydrophobicContact CB-CZ2 4.28Å; L43-W71 HydrophobicContact CD1-CZ3 4.43Å; V56-W71 HydrophobicContact CG1-CH2 4.08Å; V56-W71 HydrophobicContact CG1-CZ3 4.45Å; L63-W71 HydrophobicContact CB-CH2 4.3Å; P65-W71 HydrophobicContact CB-CZ2 4.33Å; W71-G73 PolarHBondContact O-N 2.75Å; W71-F76 HydrophobicContact CE3-CD2 4.25Å; W71-F76 HydrophobicContact CE3-CE1 4.06Å; W71-F76 AromaticContact CE3-CE2 3.66Å; W71-F76 HydrophobicContact CE3-CE2 3.66Å; W71-F76 AromaticContact CE3-CZ 3.55Å; W71-F76 HydrophobicContact CE3-CZ 3.55Å; W71-F76 HydrophobicContact CZ3-CD1 4.3Å; W71-F76 AromaticContact CZ3-CE1 3.98Å; W71-F76 HydrophobicContact CZ3-CE1 3.98Å; W71-F76 HydrophobicContact CZ3-CE2 4.27Å; W71-F76 AromaticContact CZ3-CZ 3.97Å; W71-F76 HydrophobicContact CZ3-CZ 3.97Å
72H66.5Low76.5Confident105 Ų10563.2 Ų63.249%0.48636%0.358SS..THydrogen-bonded Turntrans-72125.9-176.4-57.188.5000110.4
73G71Confident74.5Confident80 Ų8064.7 Ų64.783%0.82538%0.38SS*.THydrogen-bonded Turntrans105.2-19.5176.600000114.9W71W71-G73 PolarHBondContact O-N 2.75Å
74N75.4Confident72.4Confident48 Ų4869.8 Ų69.826%0.25742%0.416SS..  trans-108140.3177.8-67.4-23.3000111.2Y45 F76Y45-N74 HydrophobicContact CD2-CB 4.27Å; N74-F76 HydrophobicContact CB-CE2 3.9Å; N74-F76 HydrophobicContact CB-CZ 4.11Å; N74-F76 WeakPolarHBondContact O-CD2 3.25Å; N74-F76 WeakPolarHBondContact O-CE2 3.29Å
75T82.3Confident70.5Confident70 Ų7075.2 Ų75.243%0.42944%0.439SS..EExtended strand (participates in β ladder)trans-92.4127.3166.9-54.40000108.5P17P17-T75 HydrophobicContact CB-CG2 4.33Å
76F86.1Confident68.7Low0 Ų083.9 Ų83.90%047%0.466CS..EExtended strand (participates in β ladder)trans-99.6135.1179-63.8-97.4000109.5V7 K8 I9 C10 L43 K44 Y45 V56 P66 W71 N74V7-F76 HydrophobicContact CG2-CD2 3.4Å; V7-F76 HydrophobicContact CG2-CE2 3.67Å; V7-F76 HydrophobicContact CG2-CG 4.23Å; K8-F76 PolarHBondContact O-N 2.86Å; I9-F76 CarbonylContact C-O 3.52Å; I9-F76 VanDerWaalsContact CA-O 3.24Å; I9-F76 WeakPolarHBondContact CA-O 3.33Å; I9-F76 HydrophobicContact CG1-CB 4.44Å; C10-F76 PolarHBondContact N-O 3.21Å; L43-F76 HydrophobicContact CB-CB 4.41Å; L43-F76 HydrophobicContact CB-CD1 4.42Å; L43-F76 HydrophobicContact CD1-CB 4.33Å; L43-F76 HydrophobicContact CD2-CB 4.33Å; K44-F76 CarbonylContact O-C 3.49Å; K44-F76 WeakPolarHBondContact O-CA 3.31Å; Y45-F76 HydrophobicContact CD1-CD1 4.16Å; Y45-F76 AromaticContact CD1-CE1 3.72Å; Y45-F76 HydrophobicContact CD1-CE1 3.72Å; Y45-F76 HydrophobicContact CG-CD1 4.15Å; Y45-F76 AromaticContact CG-CE1 3.81Å; Y45-F76 HydrophobicContact CG-CE1 3.81Å; Y45-F76 HydrophobicContact CG-CZ 4.48Å; V56-F76 HydrophobicContact CG2-CD1 3.5Å; V56-F76 HydrophobicContact CG2-CE1 3.59Å; P66-F76 HydrophobicContact CG-CE1 3.8Å; P66-F76 HydrophobicContact CG-CZ 3.84Å; W71-F76 HydrophobicContact CE3-CD2 4.25Å; W71-F76 HydrophobicContact CE3-CE1 4.06Å; W71-F76 AromaticContact CE3-CE2 3.66Å; W71-F76 HydrophobicContact CE3-CE2 3.66Å; W71-F76 AromaticContact CE3-CZ 3.55Å; W71-F76 HydrophobicContact CE3-CZ 3.55Å; W71-F76 HydrophobicContact CZ3-CD1 4.3Å; W71-F76 AromaticContact CZ3-CE1 3.98Å; W71-F76 HydrophobicContact CZ3-CE1 3.98Å; W71-F76 HydrophobicContact CZ3-CE2 4.27Å; W71-F76 AromaticContact CZ3-CZ 3.97Å; W71-F76 HydrophobicContact CZ3-CZ 3.97Å; N74-F76 HydrophobicContact CB-CE2 3.9Å; N74-F76 HydrophobicContact CB-CZ 4.11Å; N74-F76 WeakPolarHBondContact O-CD2 3.25Å; N74-F76 WeakPolarHBondContact O-CE2 3.29Å
77C85.9Confident66.9Low10 Ų1092.9 Ų92.97%0.06850%0.504CS..EExtended strand (participates in β ladder)trans-102.7141.3174.3-52.30000110.4C10 L43 K44C10-C77 CarbonylContact O-C 3.52Å; C10-C77 VanDerWaalsContact O-CA 3.29Å; C10-C77 WeakPolarHBondContact O-CA 3.49Å; L43-C77 WeakPolarHBondContact CA-O 3.37Å; K44-C77 HydrophobicContact CG-CB 3.98Å; K44-C77 PolarHBondContact N-O 2.85Å; K44-C77 PolarHBondContact O-N 3.08Å
78C86.6Confident65.9Low7 Ų791.5 Ų91.55%0.04751%0.506CS..EExtended strand (participates in β ladder)trans-62.1138.9173.6-68.50000112C10 F37 C40 F80C10-C78 PolarHBondContact O-N 3.22Å; F37-C78 VanDerWaalsContact CD2-SG 3.54Å; F37-C78 VanDerWaalsContact CG-SG 3.54Å; C40-C78 HydrophobicContact CB-CB 4.4Å; C40-C78 VanDerWaalsContact SG-CB 3.5Å; C40-C78 VanDerWaalsContact SG-SG 3.6Å; C78-F80 HydrophobicContact CB-CD2 4.34Å; C78-F80 HydrophobicContact CB-CE2 3.51Å; C78-F80 HydrophobicContact CB-CZ 3.66Å
79V83.6Confident64.8Low52 Ų5294.3 Ų94.332%0.31552%0.522SS..EExtended strand (participates in β ladder)trans-108.2108.4173.5-178.50000108T41 G42 K44T41-V79 PolarHBondContact N-O 3.37Å; T41-V79 PolarHBondContact OG1-O 2.77Å; G42-V79 PolarHBondContact N-O 3.12Å; G42-V79 WeakPolarHBondContact O-CB 3.37Å; G42-V79 PolarHBondContact O-N 3.24Å; K44-V79 HydrophobicContact CB-CG2 3.72Å; K44-V79 HydrophobicContact CD-CG2 4.05Å; K44-V79 HydrophobicContact CG-CG2 3.69Å
80F81.7Confident63.7Low67 Ų6799.4 Ų99.429%0.29453%0.53SS..  trans-88.5141.6173.4-60.8-80.6000109.9E11 D39 C40 C78 K82E11-F80 HydrophobicContact CG-CE2 3.71Å; E11-F80 HydrophobicContact CG-CZ 3.68Å; D39-F80 HydrophobicContact CB-CD1 3.97Å; D39-F80 HydrophobicContact CB-CE1 4.29Å; D39-F80 VanDerWaalsContact O-CD1 3.31Å; D39-F80 WeakPolarHBondContact O-CD1 3.43Å; C40-F80 HydrophobicContact CB-CE1 4.16Å; C78-F80 HydrophobicContact CB-CD2 4.34Å; C78-F80 HydrophobicContact CB-CE2 3.51Å; C78-F80 HydrophobicContact CB-CZ 3.66Å; F80-K82 PolarHBondContact O-N 3.35Å
81P73.4Confident62.4Low78 Ų78101 Ų10151%0.50654%0.542SS..  trans-62.8113.1-179.724.3-29.6000108.7D39 T41 C83D39-P81 VanDerWaalsContact O-CD 3.25Å; D39-P81 WeakPolarHBondContact O-CD 3.31Å; T41-P81 HydrophobicContact CG2-CB 4.01Å; T41-P81 HydrophobicContact CG2-CG 3.67Å; T41-P81 WeakPolarHBondContact OG1-CD 3.4Å; P81-C83 PolarHBondContact O-N 2.83Å; P81-C83 VanDerWaalsContact O-N 3.1Å
82K61.5Low60.7Low198 Ų198105.6 Ų105.686%0.86158%0.576SS**  trans-67111.5170.4-70.8-178.2178.3177.50107.2F80 S84F80-K82 PolarHBondContact O-N 3.35Å; K82-S84 VanDerWaalsContact C-N 3.3Å; K82-S84 PolarHBondContact O-N 3.26Å
83C44.3Very low59.8Low112 Ų112109.3 Ų109.376%0.75760%0.598SS**  trans-58.494170.1-76.20000109.8P81 K85P81-C83 PolarHBondContact O-N 2.83Å; P81-C83 VanDerWaalsContact O-N 3.1Å; C83-K85 PolarHBondContact O-N 3.48Å
84S42.4Very low58.5Low107 Ų107112 Ų11275%0.74859%0.593SS**  trans-74.3105173.7-1690000108.2K82 R86K82-S84 VanDerWaalsContact C-N 3.3Å; K82-S84 PolarHBondContact O-N 3.26Å; S84-R86 PolarHBondContact O-N 2.9Å
85K45.9Very low56.9Low187 Ų187115.9 Ų115.981%0.81362%0.624SS**  trans-72.652.1-174.2-168.6176.9171.9175.10113C83C83-K85 PolarHBondContact O-N 3.48Å
86R46.7Very low55Low224 Ų224120 Ų12085%0.84564%0.636SS**  trans-141.9116.7176.2-67.6-173.9-179.9167.90.5112.3S84S84-R86 PolarHBondContact O-N 2.9Å
87K37.3Very low53.3Low202 Ų202128.6 Ų128.688%0.87868%0.679SS**  trans61.798.9162.3-80.8-174.7167.3-172.70118
88A44.7Very low51.1Low106 Ų106136.7 Ų136.788%0.87671%0.713SS**  trans-147.2101.613800000106.5
89D41Very low49.2Very low139 Ų139143.6 Ų143.674%0.74375%0.748SS**  trans-67.4160.7162.9-88.6-50.9000109.4
90E38.5Very low47.4Very low165 Ų165150.1 Ų150.177%0.77177%0.772SS**SBendtrans84.7113.2168.2-48.8-69.7101.900117.3
91D41.2Very low45.5Very low157 Ų157155.1 Ų155.184%0.8479%0.789SS**  trans69.375.4154.1-62-30000120.6
92S39.4Very low44.3Very low104 Ų104156.4 Ų156.473%0.72779%0.787SS**  trans-159112.6140.6-160.30000111.8D94S92-D94 PolarHBondContact O-N 2.62Å
93L46.8Very low43.3Very low182 Ų182153.2 Ų153.295%0.95378%0.779SS**  trans-70.175.7173.4-70.3165000110.3
94D43Very low43.4Very low136 Ų136153.3 Ų153.373%0.72777%0.767SS**  trans-132.398.5166.1-98-43.9000109S92 K96S92-D94 PolarHBondContact O-N 2.62Å; D94-K96 PolarHBondContact O-N 2.63Å
95S43Very low43.8Very low130 Ų130158.1 Ų158.191%0.90977%0.774SS**  trans-6277.8171.7-66.20000110.3M97S95-M97 VanDerWaalsContact C-N 3.29Å; S95-M97 PolarHBondContact O-N 3.42Å
96K41.7Very low44.3Very low158 Ų158153.8 Ų153.869%0.68776%0.764SS**  trans-60.290.6164.3-105.1172.9178160.60108.5D94 K98D94-K96 PolarHBondContact O-N 2.63Å; K96-K98 PolarHBondContact O-N 3.2Å
97M50.6Low45.2Very low180 Ų180144 Ų14489%0.88773%0.729SS**  trans-47111.3146.9-90.2-177.6161.400106.6S95 L99S95-M97 VanDerWaalsContact C-N 3.29Å; S95-M97 PolarHBondContact O-N 3.42Å; M97-L99 PolarHBondContact O-N 3.02Å
98K39.1Very low47.2Very low179 Ų179135.9 Ų135.978%0.77870%0.697SS**  trans-69.667.2173.1-71.4173.3-176.8148.70108.9K96 K100K96-K98 PolarHBondContact O-N 3.2Å; K98-K100 PolarHBondContact O-N 2.85Å; K98-K100 VanDerWaalsContact O-N 3.15Å
99L48.4Very low49.1Very low153 Ų153133.3 Ų133.380%0.80167%0.669SS**  trans-65.1108.3152-150.871.9000104.1M97 R101M97-L99 PolarHBondContact O-N 3.02Å; L99-R101 PolarHBondContact O-N 2.73Å
100K44.3Very low51.4Low188 Ų188126.7 Ų126.782%0.81763%0.633SS**  trans-40.8113.6170.2-96.7179.4167.1179.90106.8K98 F102K98-K100 PolarHBondContact O-N 2.85Å; K98-K100 VanDerWaalsContact O-N 3.15Å; K100-F102 PolarHBondContact O-N 3.32Å
101R41.6Very low53.9Low172 Ų172119.8 Ų119.865%0.64960%0.601SS**  trans-52.5107.4174.8-75.2178.9171.9166.7-10.5107L99 D103L99-R101 PolarHBondContact O-N 2.73Å; R101-D103 PolarHBondContact O-N 3.04Å
102F48.7Very low56.2Low105 Ų105112.3 Ų112.346%0.46156%0.561SS.*  trans-74.180.8168.5-100.4-90.4000106K100 K104 T108 I181K100-F102 PolarHBondContact O-N 3.32Å; F102-K104 PolarHBondContact O-N 2.97Å; F102-T108 HydrophobicContact CE1-CG2 3.6Å; F102-T108 HydrophobicContact CZ-CG2 4.09Å; F102-I181 HydrophobicContact CZ-CD1 4.48Å
103D40.9Very low58.5Low131 Ų131109.1 Ų109.170%0.70154%0.536SS*.  trans-71.1120.2167.9-75.2-50.1000107.9R101R101-D103 PolarHBondContact O-N 3.04Å
104K46.1Very low60.6Low114 Ų114103.8 Ų103.850%0.49651%0.509SS..SBendtrans87.1120.5173.2-55.1177.8178.2-164.60116.6E11 F102 T106E11-K104 WeakPolarHBondContact OE1-CE 3.38Å; E11-K104 IonicContact OE1-NZ 3.54Å; E11-K104 PolarHBondContact OE1-NZ 3.08Å; E11-K104 IonicContact OE2-NZ 2.67Å; F102-K104 PolarHBondContact O-N 2.97Å; K104-T106 PolarHBondContact O-N 2.74Å; K104-T106 PolarHBondContact O-OG1 3.37Å
105K50.5Low62.7Low208 Ų20897.4 Ų97.490%0.90447%0.474SS*.  trans-51.654.8179.2-58.8165.4178.5173.80115.1
106T56.5Low64.8Low96 Ų9691.7 Ų91.759%0.58943%0.434SS*.  trans-114.3121.617958.40000109.1K104 T108K104-T106 PolarHBondContact O-N 2.74Å; K104-T106 PolarHBondContact O-OG1 3.37Å; T106-T108 PolarHBondContact O-N 3.02Å
107C66.7Low66.9Low18 Ų1892.4 Ų92.412%0.12243%0.432CS..PPolyproline II helixtrans-63.6129.3177.9-58.10000109.7R155 F156 A157 Y159C107-R155 HydrophobicContact CB-CG 4.23Å; C107-F156 WeakPolarHBondContact CB-O 2.8Å; C107-F156 PolarHBondContact SG-O 2.9Å; C107-A157 PolarHBondContact SG-O 3.12Å; C107-Y159 PolarHBondContact SG-N 3.15Å
108T77.6Confident68.6Low33 Ų3391.9 Ų91.920%0.20242%0.42CS..PPolyproline II helixtrans-88.4151.2174.357.20000110.5F102 T106 L110 Q162F102-T108 HydrophobicContact CE1-CG2 3.6Å; F102-T108 HydrophobicContact CZ-CG2 4.09Å; T106-T108 PolarHBondContact O-N 3.02Å; T108-L110 PolarHBondContact O-N 2.88Å; T108-Q162 PolarHBondContact O-OE1 3.03Å; T108-Q162 PolarHBondContact OG1-NE2 2.95Å; T108-Q162 PolarHBondContact OG1-OE1 2.91Å
109D86.5Confident70.8Confident52 Ų5283.4 Ų83.428%0.27838%0.384SS..PPolyproline II helixtrans-62.5129.9168.9-55.7-34.8000108.8I154 R155 P182D109-I154 CarbonylContact C-O 3.54Å; D109-R155 VanDerWaalsContact CG-NH2 3.32Å; D109-R155 IonicContact OD1-CZ 3.7Å; D109-R155 IonicContact OD1-NE 3.36Å; D109-R155 PolarHBondContact OD1-NE 3.15Å; D109-R155 IonicContact OD1-NH2 2.95Å; D109-R155 PolarHBondContact OD1-NH2 2.94Å; D109-R155 IonicContact OD2-NH2 3.95Å; D109-R155 PolarHBondContact OD2-NH2 3.24Å; D109-R155 VanDerWaalsContact OD2-NH2 3.09Å; D109-P182 WeakPolarHBondContact O-CD 3.45Å; D109-P182 VanDerWaalsContact O-CG 3.22Å; D109-P182 WeakPolarHBondContact O-CG 3.37Å
110L88.8Confident72.7Confident0 Ų079.3 Ų79.30%036%0.363CS..EExtended strand (participates in β ladder)trans-97.3141.8169.6-56.1-175.6000109T108 F153 I154 F156 Q162 C165 L166 V179 I181T108-L110 PolarHBondContact O-N 2.88Å; L110-F153 CarbonylContact O-C 3.58Å; L110-F153 WeakPolarHBondContact O-CA 3.43Å; L110-I154 HydrophobicContact CB-CD1 4.47Å; L110-I154 HydrophobicContact CB-CG1 3.8Å; L110-I154 HydrophobicContact CD1-CD1 4.45Å; L110-I154 HydrophobicContact CD1-CG1 4.46Å; L110-I154 PolarHBondContact N-O 3.29Å; L110-I154 PolarHBondContact O-N 3.29Å; L110-F156 HydrophobicContact CD1-CD2 4.09Å; L110-F156 HydrophobicContact CD1-CE2 3.83Å; L110-Q162 HydrophobicContact CD1-CG 3.79Å; L110-Q162 HydrophobicContact CD2-CG 3.72Å; L110-Q162 HydrophobicContact CG-CG 3.92Å; L110-C165 HydrophobicContact CD1-CB 4.43Å; L110-L166 HydrophobicContact CD1-CD2 4.38Å; L110-L166 HydrophobicContact CD1-CG 4.2Å; L110-L166 HydrophobicContact CD2-CD1 3.97Å; L110-L166 HydrophobicContact CD2-CD2 4.03Å; L110-L166 HydrophobicContact CD2-CG 4.13Å; L110-V179 HydrophobicContact CB-CG1 3.96Å; L110-V179 HydrophobicContact CD1-CG1 3.74Å; L110-V179 HydrophobicContact CG-CG1 4.45Å; L110-I181 HydrophobicContact CD2-CG1 3.85Å
111I90Very high74.8Confident20 Ų2073.6 Ų73.610%0.10334%0.339CS..EExtended strand (participates in β ladder)trans-95.8127.3169.3-172172.5000109L113 Y151 G152 F153 V179 R180 P182I111-L113 HydrophobicContact CD1-CD2 3.72Å; I111-L113 HydrophobicContact CG1-CD2 3.88Å; I111-L113 HydrophobicContact CG1-CG 4.35Å; I111-Y151 HydrophobicContact CD1-CD2 3.98Å; I111-Y151 HydrophobicContact CG1-CD2 4.32Å; I111-G152 WeakPolarHBondContact CA-O 3.12Å; I111-F153 HydrophobicContact CB-CD1 4.06Å; I111-F153 HydrophobicContact CB-CE1 3.87Å; I111-F153 HydrophobicContact CD1-CE1 4.04Å; I111-F153 HydrophobicContact CD1-CZ 3.98Å; I111-F153 HydrophobicContact CG1-CD1 4.37Å; I111-F153 HydrophobicContact CG1-CE1 3.99Å; I111-F153 HydrophobicContact CG1-CZ 4.26Å; I111-V179 WeakPolarHBondContact O-CA 3.05Å; I111-R180 HydrophobicContact CG2-CG 3.41Å; I111-R180 VanDerWaalsContact CG2-CG 3.41Å; I111-R180 WeakPolarHBondContact CG2-O 3.2Å; I111-R180 PolarHBondContact N-O 3.13Å; I111-R180 PolarHBondContact O-N 2.93Å; I111-P182 HydrophobicContact CB-CB 4Å; I111-P182 HydrophobicContact CB-CG 4.38Å; I111-P182 HydrophobicContact CG2-CB 3.88Å; I111-P182 HydrophobicContact CG2-CG 4.49Å
112V90.5Very high77.2Confident0 Ų071 Ų710%034%0.338CS..EExtended strand (participates in β ladder)trans-102.3116.1173.8-169.30000107.9L115 L124 F128 Y151 G152 I154 C177 V179V112-L115 HydrophobicContact CB-CD1 4.22Å; V112-L115 HydrophobicContact CB-CD2 4.34Å; V112-L115 HydrophobicContact CB-CG 4.31Å; V112-L115 HydrophobicContact CG1-CD1 4.26Å; V112-L115 HydrophobicContact CG1-CD2 3.51Å; V112-L115 HydrophobicContact CG1-CG 3.84Å; V112-L124 HydrophobicContact CG2-CD2 4.39Å; V112-F128 HydrophobicContact CG1-CE2 4.2Å; V112-F128 HydrophobicContact CG1-CZ 3.98Å; V112-F128 HydrophobicContact CG2-CE2 3.98Å; V112-F128 HydrophobicContact CG2-CZ 3.93Å; V112-Y151 CarbonylContact O-C 3.56Å; V112-Y151 WeakPolarHBondContact O-CA 3.42Å; V112-Y151 WeakPolarHBondContact O-CB 3.41Å; V112-G152 PolarHBondContact N-O 3.3Å; V112-G152 PolarHBondContact O-N 3.4Å; V112-I154 HydrophobicContact CG2-CD1 3.77Å; V112-I154 HydrophobicContact CG2-CG1 3.89Å; V112-I154 HydrophobicContact CG2-CG2 4.07Å; V112-C177 HydrophobicContact CG1-CB 4.17Å; V112-V179 HydrophobicContact CB-CG2 4.41Å; V112-V179 HydrophobicContact CG1-CG2 3.96Å; V112-V179 HydrophobicContact CG2-CG2 4.09Å
113L88.1Confident79.1Confident37 Ų3768.2 Ų68.219%0.19433%0.33CS..EExtended strand (participates in β ladder)trans-103.7158.1-179.6-63.7-177.8000111.6I111 L115 Y151 C177 D178I111-L113 HydrophobicContact CD1-CD2 3.72Å; I111-L113 HydrophobicContact CG1-CD2 3.88Å; I111-L113 HydrophobicContact CG1-CG 4.35Å; L113-L115 VanDerWaalsContact C-N 3.26Å; L113-L115 PolarHBondContact O-N 3.28Å; L113-Y151 HydrophobicContact CD2-CG 4.45Å; L113-C177 WeakPolarHBondContact O-CA 3.4Å; L113-D178 HydrophobicContact CB-CB 4.24Å; L113-D178 PolarHBondContact N-O 3.33Å; L113-D178 PolarHBondContact O-N 3.24Å
114N89.4Confident81.5Confident70 Ų7062 Ų6237%0.37430%0.296SS..SBendtrans62.431.6178-161.337.2000113.7G150 R175 Q176N114-G150 PolarHBondContact N-O 3.2Å; N114-R175 WeakPolarHBondContact O-CD 3.43Å; N114-R175 PolarHBondContact O-NE 3.27Å; N114-R175 VanDerWaalsContact OD1-CZ 3.3Å; N114-R175 PolarHBondContact OD1-NE 3.16Å; N114-R175 PolarHBondContact OD1-NH2 3.42Å; N114-Q176 PolarHBondContact ND2-O 3.32Å
115L88.6Confident83.7Confident2 Ų262 Ų621%0.0129%0.294CS..  trans-63.4144.2173.6-70.8171.6000110.9V112 L113 W117 L124 G150 I172V112-L115 HydrophobicContact CB-CD1 4.22Å; V112-L115 HydrophobicContact CB-CD2 4.34Å; V112-L115 HydrophobicContact CB-CG 4.31Å; V112-L115 HydrophobicContact CG1-CD1 4.26Å; V112-L115 HydrophobicContact CG1-CD2 3.51Å; V112-L115 HydrophobicContact CG1-CG 3.84Å; L113-L115 VanDerWaalsContact C-N 3.26Å; L113-L115 PolarHBondContact O-N 3.28Å; L115-W117 PolarHBondContact O-N 2.9Å; L115-L124 HydrophobicContact CD1-CD1 4.13Å; L115-L124 HydrophobicContact CD1-CD2 3.88Å; L115-L124 HydrophobicContact CD2-CD1 4.08Å; L115-L124 HydrophobicContact CD2-CD2 4.11Å; L115-L124 HydrophobicContact CD2-CG 4.2Å; L115-G150 PolarHBondContact N-O 3.26Å; L115-G150 WeakPolarHBondContact O-CA 3.32Å; L115-I172 HydrophobicContact CD2-CD1 3.84Å
116P86Confident85.6Confident9 Ų958.7 Ų58.76%0.05829%0.286CS..  trans-54.3138167.9-17.427.2000110.4R118 A119 I172 E173 R175P116-R118 HydrophobicContact CB-CG 4.16Å; P116-R118 PolarHBondContact O-N 3.38Å; P116-R118 VanDerWaalsContact O-N 3.15Å; P116-A119 HydrophobicContact CB-CB 4.08Å; P116-A119 HydrophobicContact CG-CB 4.16Å; P116-A119 VanDerWaalsContact O-CB 3.28Å; P116-A119 WeakPolarHBondContact O-CB 3.33Å; P116-A119 PolarHBondContact O-N 3.39Å; P116-I172 HydrophobicContact CG-CG2 4.19Å; P116-E173 VanDerWaalsContact CB-OE2 3.25Å; P116-E173 WeakPolarHBondContact CB-OE2 3.4Å; P116-E173 HydrophobicContact CG-CB 4.07Å; P116-E173 HydrophobicContact CG-CG 4.38Å; P116-E173 WeakPolarHBondContact CG-OE2 3.29Å; P116-R175 HydrophobicContact CG-CB 4.41Å
117W86.5Confident87.2Confident173 Ų17356.7 Ų56.766%0.65527%0.268SS*.THydrogen-bonded Turntrans-64-21.3179.5-61.7-26.1000113.5L115 S148L115-W117 PolarHBondContact O-N 2.9Å; W117-S148 VanDerWaalsContact O-CB 3.25Å; W117-S148 WeakPolarHBondContact O-CB 3.38Å; W117-S148 PolarHBondContact O-OG 3.45Å; W117-S148 VanDerWaalsContact O-OG 3.14Å
118R85.8Confident88.4Confident169 Ų16955.9 Ų55.964%0.63826%0.262SS*.THydrogen-bonded Turntrans-89.3-3.3174.667178.3179.1166.33.5114.2P116 D120 E173P116-R118 HydrophobicContact CB-CG 4.16Å; P116-R118 PolarHBondContact O-N 3.38Å; P116-R118 VanDerWaalsContact O-N 3.15Å; R118-D120 PolarHBondContact O-N 3.39Å; R118-E173 VanDerWaalsContact CG-OE2 3.32Å; R118-E173 WeakPolarHBondContact CG-OE2 3.36Å; R118-E173 IonicContact CZ-OE1 2.65Å; R118-E173 IonicContact CZ-OE2 3.38Å; R118-E173 VanDerWaalsContact NE-CD 3.28Å; R118-E173 IonicContact NE-OE1 3.92Å; R118-E173 PolarHBondContact NE-OE1 2.99Å; R118-E173 IonicContact NE-OE2 3.23Å; R118-E173 PolarHBondContact NE-OE2 2.77Å; R118-E173 IonicContact NH2-OE1 3.42Å; R118-E173 PolarHBondContact NH2-OE1 3.45Å; R118-E173 IonicContact NH2-OE2 2.7Å; R118-E173 PolarHBondContact NH2-OE2 2.8Å
119A84.8Confident89Confident2 Ų257.2 Ų57.22%0.01727%0.273CS..  trans-71.7128179.500000109.6P116 L124 I139P116-A119 HydrophobicContact CB-CB 4.08Å; P116-A119 HydrophobicContact CG-CB 4.16Å; P116-A119 VanDerWaalsContact O-CB 3.28Å; P116-A119 WeakPolarHBondContact O-CB 3.33Å; P116-A119 PolarHBondContact O-N 3.39Å; A119-L124 HydrophobicContact CB-CD1 4.17Å; A119-I139 VanDerWaalsContact O-CD1 3.29Å; A119-I139 WeakPolarHBondContact O-CD1 3.41Å
120D88.1Confident89.1Confident67 Ų6760.6 Ų60.636%0.35829%0.287SS..  trans-103.5169.3176.4-70.4-45.9000111R118 D122 T123 L124 R141R118-D120 PolarHBondContact O-N 3.39Å; D120-D122 PolarHBondContact O-N 3.05Å; D120-T123 WeakPolarHBondContact O-CB 3.49Å; D120-T123 PolarHBondContact O-N 3.4Å; D120-T123 VanDerWaalsContact O-N 3.07Å; D120-L124 WeakPolarHBondContact O-CD1 3.36Å; D120-L124 PolarHBondContact O-N 2.75Å; D120-R141 IonicContact OD1-CZ 3.99Å; D120-R141 IonicContact OD1-NH1 3.16Å; D120-R141 PolarHBondContact OD1-NH1 2.78Å; D120-R141 IonicContact OD1-NH2 3.98Å; D120-R141 PolarHBondContact OD1-NH2 2.73Å
121E90Very high89.1Confident68 Ų6862.9 Ų62.932%0.31830%0.296SS..Hα-helixtrans-56.7-34.2-178.7-70.586.8-174.500111.8L124 R125 I137 I139 R141E121-L124 PolarHBondContact O-N 2.99Å; E121-R125 WeakPolarHBondContact O-CB 3.14Å; E121-R125 PolarHBondContact O-N 2.91Å; E121-I137 HydrophobicContact CB-CG2 4.06Å; E121-I137 HydrophobicContact CG-CG2 4.1Å; E121-I139 HydrophobicContact CG-CD1 4.24Å; E121-I139 HydrophobicContact CG-CG1 4.2Å; E121-I139 VanDerWaalsContact N-CD1 3.35Å; E121-R141 IonicContact OE1-NH2 2.89Å; E121-R141 IonicContact OE2-NH2 3.09Å; E121-R141 PolarHBondContact OE2-NH2 3.05Å
122D90.4Very high89Confident118 Ų11862.8 Ų62.863%0.63130%0.299SS*.Hα-helixtrans-66.8-38.3178.1-62.6-43000112.4D120 L124 R125 D126D120-D122 PolarHBondContact O-N 3.05Å; D122-L124 VanDerWaalsContact C-N 3.34Å; D122-L124 PolarHBondContact O-N 3.45Å; D122-R125 WeakPolarHBondContact O-CB 3.48Å; D122-R125 PolarHBondContact O-N 2.78Å; D122-D126 WeakPolarHBondContact O-CB 3.39Å; D122-D126 PolarHBondContact O-N 3.35Å
123T89.7Confident88.9Confident45 Ų4568.1 Ų68.128%0.27633%0.328SS..Hα-helixtrans-63.8-41.7175.8-47.50000111.2D120 Y127 I172D120-T123 WeakPolarHBondContact O-CB 3.49Å; D120-T123 PolarHBondContact O-N 3.4Å; D120-T123 VanDerWaalsContact O-N 3.07Å; T123-Y127 WeakPolarHBondContact O-CB 3.35Å; T123-Y127 PolarHBondContact O-N 2.86Å; T123-I172 HydrophobicContact CG2-CG2 4.08Å
124L90.7Very high89Confident0 Ų067.3 Ų67.30%032%0.324CS..Hα-helixtrans-67.7-39174.7-85.489.7000111.3V112 L115 A119 D120 E121 D122 Y127 F128 I137 I139 I154V112-L124 HydrophobicContact CG2-CD2 4.39Å; L115-L124 HydrophobicContact CD1-CD1 4.13Å; L115-L124 HydrophobicContact CD1-CD2 3.88Å; L115-L124 HydrophobicContact CD2-CD1 4.08Å; L115-L124 HydrophobicContact CD2-CD2 4.11Å; L115-L124 HydrophobicContact CD2-CG 4.2Å; A119-L124 HydrophobicContact CB-CD1 4.17Å; D120-L124 WeakPolarHBondContact O-CD1 3.36Å; D120-L124 PolarHBondContact O-N 2.75Å; E121-L124 PolarHBondContact O-N 2.99Å; D122-L124 VanDerWaalsContact C-N 3.34Å; D122-L124 PolarHBondContact O-N 3.45Å; L124-Y127 PolarHBondContact O-N 2.74Å; L124-F128 HydrophobicContact CB-CD2 4.16Å; L124-F128 HydrophobicContact CB-CE2 4.5Å; L124-F128 HydrophobicContact CD2-CD2 4.34Å; L124-F128 HydrophobicContact CD2-CE2 4Å; L124-F128 HydrophobicContact CG-CD2 4.32Å; L124-F128 HydrophobicContact CG-CE2 4.15Å; L124-F128 WeakPolarHBondContact O-CB 3.5Å; L124-F128 VanDerWaalsContact O-CD2 3.27Å; L124-F128 WeakPolarHBondContact O-CD2 3.27Å; L124-F128 PolarHBondContact O-N 2.95Å; L124-I137 HydrophobicContact CB-CG2 4.09Å; L124-I139 HydrophobicContact CD1-CD1 3.7Å; L124-I139 HydrophobicContact CD1-CG1 4.2Å; L124-I154 HydrophobicContact CD2-CG2 3.97Å
125R91.9Very high89Confident116 Ų11668.8 Ų68.844%0.43834%0.335SS..Hα-helixtrans-59.5-54.4178.3-173179.5-63.4-78.5-1.4110.8E121 D122 Y127 F128 S129 L134 I137E121-R125 WeakPolarHBondContact O-CB 3.14Å; E121-R125 PolarHBondContact O-N 2.91Å; D122-R125 WeakPolarHBondContact O-CB 3.48Å; D122-R125 PolarHBondContact O-N 2.78Å; R125-Y127 VanDerWaalsContact C-N 3.3Å; R125-Y127 PolarHBondContact O-N 3.2Å; R125-F128 PolarHBondContact O-N 3.2Å; R125-S129 WeakPolarHBondContact O-CA 3.35Å; R125-S129 WeakPolarHBondContact O-CB 3.41Å; R125-S129 PolarHBondContact O-N 3.01Å; R125-L134 HydrophobicContact CG-CD1 4.43Å; R125-I137 HydrophobicContact CB-CD1 3.48Å; R125-I137 VanDerWaalsContact CB-CD1 3.48Å; R125-I137 HydrophobicContact CG-CD1 3.94Å
126D91Very high88.9Confident138 Ų13872.3 Ų72.374%0.73835%0.353SS*.Hα-helixtrans-58.2-44.4-178.4-168.147.3000111.2D122D122-D126 WeakPolarHBondContact O-CB 3.39Å; D122-D126 PolarHBondContact O-N 3.35Å
127Y90.6Very high89.2Confident54 Ų5473 Ų7321%0.21236%0.356CS..Hα-helixtrans-68.5-49.3179.6-172.9-97.4000113.6T123 L124 R125 Q130 H170 T171 I172T123-Y127 WeakPolarHBondContact O-CB 3.35Å; T123-Y127 PolarHBondContact O-N 2.86Å; L124-Y127 PolarHBondContact O-N 2.74Å; R125-Y127 VanDerWaalsContact C-N 3.3Å; R125-Y127 PolarHBondContact O-N 3.2Å; Y127-Q130 VanDerWaalsContact O-CD 3.24Å; Y127-Q130 WeakPolarHBondContact O-CG 3.43Å; Y127-H170 HydrophobicContact CE1-CB 3.83Å; Y127-H170 AromaticContact CE1-ND1 3.47Å; Y127-H170 WeakPolarHBondContact CE1-ND1 3.14Å; Y127-H170 WeakPolarHBondContact OH-CA 3.26Å; Y127-T171 VanDerWaalsContact CE2-O 3.32Å; Y127-T171 WeakPolarHBondContact CE2-O 3.23Å; Y127-T171 PolarHBondContact OH-N 3.03Å; Y127-I172 HydrophobicContact CD1-CD1 3.85Å; Y127-I172 HydrophobicContact CD1-CG1 3.74Å; Y127-I172 HydrophobicContact CD2-CG1 4.15Å; Y127-I172 HydrophobicContact CE1-CD1 4.26Å; Y127-I172 HydrophobicContact CE1-CG1 3.89Å; Y127-I172 HydrophobicContact CE2-CG1 4.29Å; Y127-I172 HydrophobicContact CG-CD1 4.24Å; Y127-I172 HydrophobicContact CG-CG1 3.87Å
128F90.8Very high89.3Confident0 Ų068.4 Ų68.40%034%0.341CS..Hα-helixtrans-82.1-16.9-175.1-72.9-69.5000113.3V112 L124 R125 Q130 Y131 L134 I154 F156 C165 H170 I172 V179V112-F128 HydrophobicContact CG1-CE2 4.2Å; V112-F128 HydrophobicContact CG1-CZ 3.98Å; V112-F128 HydrophobicContact CG2-CE2 3.98Å; V112-F128 HydrophobicContact CG2-CZ 3.93Å; L124-F128 HydrophobicContact CB-CD2 4.16Å; L124-F128 HydrophobicContact CB-CE2 4.5Å; L124-F128 HydrophobicContact CD2-CD2 4.34Å; L124-F128 HydrophobicContact CD2-CE2 4Å; L124-F128 HydrophobicContact CG-CD2 4.32Å; L124-F128 HydrophobicContact CG-CE2 4.15Å; L124-F128 WeakPolarHBondContact O-CB 3.5Å; L124-F128 VanDerWaalsContact O-CD2 3.27Å; L124-F128 WeakPolarHBondContact O-CD2 3.27Å; L124-F128 PolarHBondContact O-N 2.95Å; R125-F128 PolarHBondContact O-N 3.2Å; F128-Q130 PolarHBondContact O-N 3.33Å; F128-Q130 VanDerWaalsContact O-N 3.14Å; F128-Y131 HydrophobicContact CD1-CD2 4.15Å; F128-Y131 HydrophobicContact CD1-CE2 4.21Å; F128-Y131 PolarHBondContact O-N 2.66Å; F128-Y131 VanDerWaalsContact O-N 3.09Å; F128-L134 HydrophobicContact CB-CD1 3.64Å; F128-L134 HydrophobicContact CB-CD2 4.08Å; F128-L134 HydrophobicContact CB-CG 4.33Å; F128-I154 HydrophobicContact CB-CD1 4.41Å; F128-I154 HydrophobicContact CD1-CD1 3.74Å; F128-I154 HydrophobicContact CD2-CD1 3.87Å; F128-I154 HydrophobicContact CD2-CG2 4.42Å; F128-I154 HydrophobicContact CE1-CD1 3.89Å; F128-I154 HydrophobicContact CE2-CD1 4.02Å; F128-I154 HydrophobicContact CG-CD1 3.74Å; F128-I154 HydrophobicContact CZ-CD1 4.03Å; F128-F156 HydrophobicContact CB-CE1 4.48Å; F128-F156 HydrophobicContact CB-CZ 4.18Å; F128-F156 HydrophobicContact CD1-CZ 4.31Å; F128-C165 VanDerWaalsContact CE1-SG 3.57Å; F128-H170 AromaticContact CE1-CE1 3.9Å; F128-H170 AromaticContact CE1-CG 3.87Å; F128-H170 AromaticContact CE1-ND1 3.62Å; F128-I172 HydrophobicContact CE2-CD1 3.92Å; F128-I172 HydrophobicContact CZ-CD1 4.2Å; F128-V179 HydrophobicContact CE1-CG2 3.86Å; F128-V179 HydrophobicContact CZ-CG2 3.75Å
129S90.3Very high89.6Confident61 Ų6161 Ų6143%0.42731%0.314SS..THydrogen-bonded Turntrans-62.1-17.9174.9-171.10000112.9R125 Y131 G132R125-S129 WeakPolarHBondContact O-CA 3.35Å; R125-S129 WeakPolarHBondContact O-CB 3.41Å; R125-S129 PolarHBondContact O-N 3.01Å; S129-Y131 PolarHBondContact O-N 3.4Å; S129-G132 PolarHBondContact O-N 2.7Å
130Q89.2Confident89.8Confident123 Ų12363.9 Ų63.958%0.57533%0.326SS*.THydrogen-bonded Turntrans-66-22.5174.477.3-169.90.400113.5Y127 F128Y127-Q130 VanDerWaalsContact O-CD 3.24Å; Y127-Q130 WeakPolarHBondContact O-CG 3.43Å; F128-Q130 PolarHBondContact O-N 3.33Å; F128-Q130 VanDerWaalsContact O-N 3.14Å
131Y88.6Confident89.9Confident49 Ų4964.3 Ų64.319%0.19232%0.323CS..THydrogen-bonded Turntrans-92.1-29.3178.5-60.2-76.8000112.4F128 S129 A161 M164 C165 E168 H170F128-Y131 HydrophobicContact CD1-CD2 4.15Å; F128-Y131 HydrophobicContact CD1-CE2 4.21Å; F128-Y131 PolarHBondContact O-N 2.66Å; F128-Y131 VanDerWaalsContact O-N 3.09Å; S129-Y131 PolarHBondContact O-N 3.4Å; Y131-A161 VanDerWaalsContact O-CB 3.26Å; Y131-A161 WeakPolarHBondContact O-CB 3.26Å; Y131-M164 HydrophobicContact CD1-CB 4.17Å; Y131-C165 HydrophobicContact CD2-CB 4.38Å; Y131-C165 HydrophobicContact CG-CB 4.27Å; Y131-E168 HydrophobicContact CE1-CB 4.3Å; Y131-E168 WeakPolarHBondContact OH-CG 3.44Å; Y131-H170 AromaticContact CE2-CE1 3.55Å; Y131-H170 AromaticContact CE2-ND1 3.78Å; Y131-H170 AromaticContact CZ-CE1 3.51Å; Y131-H170 AromaticContact CZ-ND1 3.92Å; Y131-H170 PolarHBondContact OH-CE1 2.81Å; Y131-H170 VanDerWaalsContact OH-CE1 3.29Å; Y131-H170 PolarHBondContact OH-ND1 3.2Å
132G87.2Confident89.6Confident17 Ų1763.4 Ų63.418%0.17532%0.32CS..SBendtrans160.3178.5179.400000112.2S129S129-G132 PolarHBondContact O-N 2.7Å
133D89Confident89.2Confident113 Ų11362.5 Ų62.560%0.60432%0.321SS*.  trans-69135-175.6-68.4-31.5000112.2F156 A157D133-F156 CarbonylContact O-C 3.57Å; D133-F156 WeakPolarHBondContact O-CA 3.45Å; D133-A157 HydrophobicContact CB-CB 4.05Å; D133-A157 PolarHBondContact O-N 3.46Å
134L90.6Very high89Confident19 Ų1966.4 Ų66.410%0.09934%0.344CS..EExtended strand (participates in β ladder)trans-99.2116.1179.3-66.9158.7000110.3R125 F128 I137 I154 R155 F156R125-L134 HydrophobicContact CG-CD1 4.43Å; F128-L134 HydrophobicContact CB-CD1 3.64Å; F128-L134 HydrophobicContact CB-CD2 4.08Å; F128-L134 HydrophobicContact CB-CG 4.33Å; L134-I137 HydrophobicContact CB-CD1 4.12Å; L134-I137 HydrophobicContact CB-CG1 4.1Å; L134-I137 HydrophobicContact CD1-CD1 3.72Å; L134-I137 HydrophobicContact CD1-CG1 4.23Å; L134-I137 HydrophobicContact CG-CD1 4.5Å; L134-I154 HydrophobicContact CD2-CB 4.09Å; L134-R155 CarbonylContact C-O 3.38Å; L134-R155 WeakPolarHBondContact CA-O 3.35Å; L134-F156 HydrophobicContact CD2-CD1 3.75Å; L134-F156 HydrophobicContact CD2-CE1 3.54Å; L134-F156 HydrophobicContact CD2-CE2 4.38Å; L134-F156 HydrophobicContact CD2-CG 4.27Å; L134-F156 HydrophobicContact CD2-CZ 3.89Å; L134-F156 HydrophobicContact CG-CD1 4.37Å; L134-F156 HydrophobicContact CG-CE1 4.17Å
135V89.4Confident88.8Confident101 Ų10169.9 Ų69.961%0.61237%0.366SS*.EExtended strand (participates in β ladder)trans-78.2-36.9176.2178.30000111R155 A157V135-R155 PolarHBondContact N-O 3.15Å; V135-A157 VanDerWaalsContact CG2-CA 3.46Å; V135-A157 HydrophobicContact CG2-CB 3.66Å
136M86.6Confident88.3Confident77 Ų7770.3 Ų70.338%0.37937%0.372SS..EExtended strand (participates in β ladder)trans-139.3136.5-177.1-168.5-175.1-174.200110.4Q138 I154 R155M136-Q138 HydrophobicContact CE-CB 4.29Å; M136-I154 CarbonylContact O-C 3.51Å; M136-I154 VanDerWaalsContact O-CA 3.28Å; M136-I154 WeakPolarHBondContact O-CA 3.21Å; M136-R155 HydrophobicContact CB-CB 3.77Å; M136-R155 PolarHBondContact N-O 2.95Å; M136-R155 PolarHBondContact O-N 3.11Å
137I92.3Very high88Confident24 Ų2469.9 Ų69.912%0.12337%0.366CS..EExtended strand (participates in β ladder)trans-134.5128.2169.6-54.7174.6000106.2E121 L124 R125 L134 F153 I154E121-I137 HydrophobicContact CB-CG2 4.06Å; E121-I137 HydrophobicContact CG-CG2 4.1Å; L124-I137 HydrophobicContact CB-CG2 4.09Å; R125-I137 HydrophobicContact CB-CD1 3.48Å; R125-I137 VanDerWaalsContact CB-CD1 3.48Å; R125-I137 HydrophobicContact CG-CD1 3.94Å; L134-I137 HydrophobicContact CB-CD1 4.12Å; L134-I137 HydrophobicContact CB-CG1 4.1Å; L134-I137 HydrophobicContact CD1-CD1 3.72Å; L134-I137 HydrophobicContact CD1-CG1 4.23Å; L134-I137 HydrophobicContact CG-CD1 4.5Å; I137-F153 CarbonylContact C-O 3.49Å; I137-F153 WeakPolarHBondContact CA-O 3.18Å; I137-I154 HydrophobicContact CG1-CG2 4.49Å; I137-I154 HydrophobicContact CG2-CG2 4.35Å
138Q89Confident87.7Confident75 Ų7567.8 Ų67.835%0.3536%0.36SS..EExtended strand (participates in β ladder)trans-143107.3179.8-171.3-179.641.100110.9M136 K140 G152 F153M136-Q138 HydrophobicContact CE-CB 4.29Å; Q138-K140 VanDerWaalsContact NE2-NZ 3.11Å; Q138-G152 CarbonylContact O-C 3.47Å; Q138-G152 WeakPolarHBondContact O-CA 3.17Å; Q138-F153 PolarHBondContact N-O 3.42Å; Q138-F153 PolarHBondContact O-N 3.47Å
139I91.5Very high87.5Confident13 Ų1373 Ų737%0.06738%0.382CS..EExtended strand (participates in β ladder)trans-84.9132.4172.9-59.3178.4000109A119 E121 L124 R141A119-I139 VanDerWaalsContact O-CD1 3.29Å; A119-I139 WeakPolarHBondContact O-CD1 3.41Å; E121-I139 HydrophobicContact CG-CD1 4.24Å; E121-I139 HydrophobicContact CG-CG1 4.2Å; E121-I139 VanDerWaalsContact N-CD1 3.35Å; L124-I139 HydrophobicContact CD1-CD1 3.7Å; L124-I139 HydrophobicContact CD1-CG1 4.2Å; I139-R141 HydrophobicContact CG2-CG 4.28Å; I139-R141 PolarHBondContact O-N 2.83Å
140K89.1Confident87.2Confident64 Ų6470.5 Ų70.528%0.27837%0.366SS..EExtended strand (participates in β ladder)trans-86.7111.7175.4-66.2-59.4-176.3-175.10109.4Q138 K149 Y151 F153Q138-K140 VanDerWaalsContact NE2-NZ 3.11Å; K140-K149 VanDerWaalsContact O-CB 3.32Å; K140-K149 WeakPolarHBondContact O-CB 3.34Å; K140-K149 WeakPolarHBondContact O-CG 3.07Å; K140-K149 PolarHBondContact O-N 2.76Å; K140-Y151 HydrophobicContact CB-CD2 4.23Å; K140-Y151 HydrophobicContact CB-CE1 4.12Å; K140-Y151 HydrophobicContact CB-CE2 3.73Å; K140-Y151 HydrophobicContact CG-CD2 4.15Å; K140-Y151 HydrophobicContact CG-CE2 3.5Å; K140-Y151 PolarHBondContact N-O 3.49Å; K140-F153 HydrophobicContact CD-CE2 4.47Å; K140-F153 HydrophobicContact CG-CD2 4.22Å; K140-F153 HydrophobicContact CG-CE2 3.95Å
141R90.5Very high87.2Confident75 Ų7568 Ų6828%0.28335%0.352SS..EExtended strand (participates in β ladder)trans-102.1154.4172.4-52.7-175.6-168.2-128.72110.1D120 E121 I139 Q147D120-R141 IonicContact OD1-CZ 3.99Å; D120-R141 IonicContact OD1-NH1 3.16Å; D120-R141 PolarHBondContact OD1-NH1 2.78Å; D120-R141 IonicContact OD1-NH2 3.98Å; D120-R141 PolarHBondContact OD1-NH2 2.73Å; E121-R141 IonicContact OE1-NH2 2.89Å; E121-R141 IonicContact OE2-NH2 3.09Å; E121-R141 PolarHBondContact OE2-NH2 3.05Å; I139-R141 HydrophobicContact CG2-CG 4.28Å; I139-R141 PolarHBondContact O-N 2.83Å; R141-Q147 CarbonylContact C-O 3.42Å; R141-Q147 WeakPolarHBondContact CA-O 3.5Å
142D83.9Confident87.4Confident50 Ų5065.7 Ų65.727%0.26734%0.343SS..  trans-67.6124.2170.4177.8-1.8000109.1V144 T145 Q146 Q147D142-V144 PolarHBondContact O-N 2.79Å; D142-V144 PolarHBondContact OD1-N 2.89Å; D142-V144 VanDerWaalsContact OD1-N 3.1Å; D142-T145 VanDerWaalsContact CB-OG1 3.27Å; D142-T145 WeakPolarHBondContact CB-OG1 3.37Å; D142-T145 VanDerWaalsContact CG-OG1 3.22Å; D142-T145 PolarHBondContact OD2-OG1 2.78Å; D142-Q146 WeakPolarHBondContact O-CA 3.39Å; D142-Q146 PolarHBondContact O-N 3.38Å; D142-Q147 PolarHBondContact N-O 2.88Å
143P80.5Confident87.6Confident98 Ų9867.1 Ų67.164%0.63634%0.344SS*.THydrogen-bonded Turntrans-60-27.4-177.524.1-35.3000113.6Q146P143-Q146 PolarHBondContact O-NE2 3.32Å
144V85.5Confident87.7Confident128 Ų12861.8 Ų61.878%0.77632%0.316SS*.THydrogen-bonded Turntrans-88.8-53-176.8-176.40000111.3D142D142-V144 PolarHBondContact O-N 2.79Å; D142-V144 PolarHBondContact OD1-N 2.89Å; D142-V144 VanDerWaalsContact OD1-N 3.1Å
145T87.2Confident87.6Confident73 Ų7365.3 Ų65.345%0.44833%0.328SS..THydrogen-bonded Turntrans-87.2-9.7-174.663.20000113.5D142 Q147D142-T145 VanDerWaalsContact CB-OG1 3.27Å; D142-T145 WeakPolarHBondContact CB-OG1 3.37Å; D142-T145 VanDerWaalsContact CG-OG1 3.22Å; D142-T145 PolarHBondContact OD2-OG1 2.78Å; T145-Q147 PolarHBondContact O-N 3.37Å; T145-Q147 PolarHBondContact OG1-N 3.43Å
146Q82.6Confident87.7Confident124 Ų12460.6 Ų60.658%0.57930%0.299SS*.  trans54.613.3-170.2-66.8-64.3-44.900114.2D142 P143D142-Q146 WeakPolarHBondContact O-CA 3.39Å; D142-Q146 PolarHBondContact O-N 3.38Å; P143-Q146 PolarHBondContact O-NE2 3.32Å
147Q82.9Confident87.7Confident129 Ų12959.1 Ų59.160%0.60330%0.299SS*.  trans-79.8138.8177.5-65.7-169.222.100110.8R141 D142 T145 K149R141-Q147 CarbonylContact C-O 3.42Å; R141-Q147 WeakPolarHBondContact CA-O 3.5Å; D142-Q147 PolarHBondContact N-O 2.88Å; T145-Q147 PolarHBondContact O-N 3.37Å; T145-Q147 PolarHBondContact OG1-N 3.43Å; Q147-K149 PolarHBondContact O-N 2.96Å
148S85.5Confident87.3Confident11 Ų1162.5 Ų62.58%0.07732%0.317CS..EExtended strand (participates in β ladder)trans-63.1130.1176.3-61.80000111W117 G150W117-S148 VanDerWaalsContact O-CB 3.25Å; W117-S148 WeakPolarHBondContact O-CB 3.38Å; W117-S148 PolarHBondContact O-OG 3.45Å; W117-S148 VanDerWaalsContact O-OG 3.14Å; S148-G150 PolarHBondContact O-N 2.93Å; S148-G150 VanDerWaalsContact O-N 3.12Å
149K85.2Confident87Confident109 Ų10963.8 Ų63.847%0.47432%0.32SS..EExtended strand (participates in β ladder)trans-74.13.2176.3-62.5-174177.6-176.30113.2K140 Q147 Y151K140-K149 VanDerWaalsContact O-CB 3.32Å; K140-K149 WeakPolarHBondContact O-CB 3.34Å; K140-K149 WeakPolarHBondContact O-CG 3.07Å; K140-K149 PolarHBondContact O-N 2.76Å; Q147-K149 PolarHBondContact O-N 2.96Å; K149-Y151 VanDerWaalsContact C-N 3.3Å; K149-Y151 HydrophobicContact CB-CD1 3.68Å; K149-Y151 HydrophobicContact CB-CE1 3.46Å; K149-Y151 VanDerWaalsContact CB-CE1 3.46Å; K149-Y151 HydrophobicContact CD-CE1 3.84Å; K149-Y151 HydrophobicContact CG-CE1 4.28Å; K149-Y151 PolarHBondContact O-N 2.88Å
150G84.6Confident86.6Confident9 Ų968.2 Ų68.29%0.09335%0.347CS..EExtended strand (participates in β ladder)trans72.820-177.800000114N114 L115 S148N114-G150 PolarHBondContact N-O 3.2Å; L115-G150 PolarHBondContact N-O 3.26Å; L115-G150 WeakPolarHBondContact O-CA 3.32Å; S148-G150 PolarHBondContact O-N 2.93Å; S148-G150 VanDerWaalsContact O-N 3.12Å
151Y90.1Very high86.5Confident71 Ų7165.4 Ų65.428%0.27834%0.337SS..EExtended strand (participates in β ladder)trans-146.3155.6170.573.7-83000112.3I111 V112 L113 K140 K149 F153I111-Y151 HydrophobicContact CD1-CD2 3.98Å; I111-Y151 HydrophobicContact CG1-CD2 4.32Å; V112-Y151 CarbonylContact O-C 3.56Å; V112-Y151 WeakPolarHBondContact O-CA 3.42Å; V112-Y151 WeakPolarHBondContact O-CB 3.41Å; L113-Y151 HydrophobicContact CD2-CG 4.45Å; K140-Y151 HydrophobicContact CB-CD2 4.23Å; K140-Y151 HydrophobicContact CB-CE1 4.12Å; K140-Y151 HydrophobicContact CB-CE2 3.73Å; K140-Y151 HydrophobicContact CG-CD2 4.15Å; K140-Y151 HydrophobicContact CG-CE2 3.5Å; K140-Y151 PolarHBondContact N-O 3.49Å; K149-Y151 VanDerWaalsContact C-N 3.3Å; K149-Y151 HydrophobicContact CB-CD1 3.68Å; K149-Y151 HydrophobicContact CB-CE1 3.46Å; K149-Y151 VanDerWaalsContact CB-CE1 3.46Å; K149-Y151 HydrophobicContact CD-CE1 3.84Å; K149-Y151 HydrophobicContact CG-CE1 4.28Å; K149-Y151 PolarHBondContact O-N 2.88Å; Y151-F153 HydrophobicContact CD2-CE2 4.24Å; Y151-F153 AromaticContact CE2-CE2 3.93Å; Y151-F153 HydrophobicContact CE2-CE2 3.93Å; Y151-F153 HydrophobicContact CE2-CZ 4.36Å
152G91.3Very high86.2Confident0 Ų062 Ų620%032%0.324CS..EExtended strand (participates in β ladder)trans-149.5175.5179.300000111.8I111 V112 Q138I111-G152 WeakPolarHBondContact CA-O 3.12Å; V112-G152 PolarHBondContact N-O 3.3Å; V112-G152 PolarHBondContact O-N 3.4Å; Q138-G152 CarbonylContact O-C 3.47Å; Q138-G152 WeakPolarHBondContact O-CA 3.17Å
153F92.1Very high86.2Confident46 Ų4661 Ų6120%0.20232%0.32CS..EExtended strand (participates in β ladder)trans-119.5139.3175.6-63.8-89.4000109.7L110 I111 I137 Q138 K140 Y151 P182L110-F153 CarbonylContact O-C 3.58Å; L110-F153 WeakPolarHBondContact O-CA 3.43Å; I111-F153 HydrophobicContact CB-CD1 4.06Å; I111-F153 HydrophobicContact CB-CE1 3.87Å; I111-F153 HydrophobicContact CD1-CE1 4.04Å; I111-F153 HydrophobicContact CD1-CZ 3.98Å; I111-F153 HydrophobicContact CG1-CD1 4.37Å; I111-F153 HydrophobicContact CG1-CE1 3.99Å; I111-F153 HydrophobicContact CG1-CZ 4.26Å; I137-F153 CarbonylContact C-O 3.49Å; I137-F153 WeakPolarHBondContact CA-O 3.18Å; Q138-F153 PolarHBondContact N-O 3.42Å; Q138-F153 PolarHBondContact O-N 3.47Å; K140-F153 HydrophobicContact CD-CE2 4.47Å; K140-F153 HydrophobicContact CG-CD2 4.22Å; K140-F153 HydrophobicContact CG-CE2 3.95Å; Y151-F153 HydrophobicContact CD2-CE2 4.24Å; Y151-F153 AromaticContact CE2-CE2 3.93Å; Y151-F153 HydrophobicContact CE2-CE2 3.93Å; Y151-F153 HydrophobicContact CE2-CZ 4.36Å; F153-P182 HydrophobicContact CD1-CG 4.35Å; F153-P182 HydrophobicContact CE1-CB 3.95Å; F153-P182 HydrophobicContact CE1-CG 4.12Å
154I92.4Very high86.5Confident1 Ų161.7 Ų61.71%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-128.9142.6174.263.5176.2000109.7D109 L110 V112 L124 F128 L134 M136 I137 F156D109-I154 CarbonylContact C-O 3.54Å; L110-I154 HydrophobicContact CB-CD1 4.47Å; L110-I154 HydrophobicContact CB-CG1 3.8Å; L110-I154 HydrophobicContact CD1-CD1 4.45Å; L110-I154 HydrophobicContact CD1-CG1 4.46Å; L110-I154 PolarHBondContact N-O 3.29Å; L110-I154 PolarHBondContact O-N 3.29Å; V112-I154 HydrophobicContact CG2-CD1 3.77Å; V112-I154 HydrophobicContact CG2-CG1 3.89Å; V112-I154 HydrophobicContact CG2-CG2 4.07Å; L124-I154 HydrophobicContact CD2-CG2 3.97Å; F128-I154 HydrophobicContact CB-CD1 4.41Å; F128-I154 HydrophobicContact CD1-CD1 3.74Å; F128-I154 HydrophobicContact CD2-CD1 3.87Å; F128-I154 HydrophobicContact CD2-CG2 4.42Å; F128-I154 HydrophobicContact CE1-CD1 3.89Å; F128-I154 HydrophobicContact CE2-CD1 4.02Å; F128-I154 HydrophobicContact CG-CD1 3.74Å; F128-I154 HydrophobicContact CZ-CD1 4.03Å; L134-I154 HydrophobicContact CD2-CB 4.09Å; M136-I154 CarbonylContact O-C 3.51Å; M136-I154 VanDerWaalsContact O-CA 3.28Å; M136-I154 WeakPolarHBondContact O-CA 3.21Å; I137-I154 HydrophobicContact CG1-CG2 4.49Å; I137-I154 HydrophobicContact CG2-CG2 4.35Å; I154-F156 HydrophobicContact CD1-CE2 3.87Å; I154-F156 HydrophobicContact CD1-CZ 4.15Å; I154-F156 HydrophobicContact CG1-CE2 4.47Å
155R88.4Confident86.6Confident94 Ų9455.6 Ų55.636%0.35528%0.279SS..EExtended strand (participates in β ladder)trans-125.3125.9171.4-177.8-179.9-76-166.3-1.9108.9C107 D109 L134 V135 M136C107-R155 HydrophobicContact CB-CG 4.23Å; D109-R155 VanDerWaalsContact CG-NH2 3.32Å; D109-R155 IonicContact OD1-CZ 3.7Å; D109-R155 IonicContact OD1-NE 3.36Å; D109-R155 PolarHBondContact OD1-NE 3.15Å; D109-R155 IonicContact OD1-NH2 2.95Å; D109-R155 PolarHBondContact OD1-NH2 2.94Å; D109-R155 IonicContact OD2-NH2 3.95Å; D109-R155 PolarHBondContact OD2-NH2 3.24Å; D109-R155 VanDerWaalsContact OD2-NH2 3.09Å; L134-R155 CarbonylContact C-O 3.38Å; L134-R155 WeakPolarHBondContact CA-O 3.35Å; V135-R155 PolarHBondContact N-O 3.15Å; M136-R155 HydrophobicContact CB-CB 3.77Å; M136-R155 PolarHBondContact N-O 2.95Å; M136-R155 PolarHBondContact O-N 3.11Å
156F90.5Very high86.5Confident1 Ų154.9 Ų54.90%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-82153.1172.7-72.4-78.3000111.6C107 L110 F128 D133 L134 I154 D158 A161 Q162 C165C107-F156 WeakPolarHBondContact CB-O 2.8Å; C107-F156 PolarHBondContact SG-O 2.9Å; L110-F156 HydrophobicContact CD1-CD2 4.09Å; L110-F156 HydrophobicContact CD1-CE2 3.83Å; F128-F156 HydrophobicContact CB-CE1 4.48Å; F128-F156 HydrophobicContact CB-CZ 4.18Å; F128-F156 HydrophobicContact CD1-CZ 4.31Å; D133-F156 CarbonylContact O-C 3.57Å; D133-F156 WeakPolarHBondContact O-CA 3.45Å; L134-F156 HydrophobicContact CD2-CD1 3.75Å; L134-F156 HydrophobicContact CD2-CE1 3.54Å; L134-F156 HydrophobicContact CD2-CE2 4.38Å; L134-F156 HydrophobicContact CD2-CG 4.27Å; L134-F156 HydrophobicContact CD2-CZ 3.89Å; L134-F156 HydrophobicContact CG-CD1 4.37Å; L134-F156 HydrophobicContact CG-CE1 4.17Å; I154-F156 HydrophobicContact CD1-CE2 3.87Å; I154-F156 HydrophobicContact CD1-CZ 4.15Å; I154-F156 HydrophobicContact CG1-CE2 4.47Å; F156-D158 WeakPolarHBondContact CB-O 3.22Å; F156-A161 HydrophobicContact CB-CB 4.13Å; F156-A161 HydrophobicContact CD1-CB 3.64Å; F156-A161 HydrophobicContact CE1-CB 4.23Å; F156-A161 HydrophobicContact CG-CB 3.94Å; F156-Q162 HydrophobicContact CB-CB 4.41Å; F156-Q162 HydrophobicContact CD2-CB 4.06Å; F156-Q162 HydrophobicContact CD2-CG 4.41Å; F156-C165 HydrophobicContact CE2-CB 3.61Å; F156-C165 HydrophobicContact CZ-CB 3.79Å
157A86.3Confident86.6Confident46 Ų4651.2 Ų51.238%0.3826%0.263SS..SBendtrans-70.1-39.7170.500000110.9C107 D133 V135C107-A157 PolarHBondContact SG-O 3.12Å; D133-A157 HydrophobicContact CB-CB 4.05Å; D133-A157 PolarHBondContact O-N 3.46Å; V135-A157 VanDerWaalsContact CG2-CA 3.46Å; V135-A157 HydrophobicContact CG2-CB 3.66Å
158D83.9Confident86.6Confident95 Ų9550.6 Ų50.651%0.50826%0.26SS..SBendtrans-109.8139-177.7-70.1-37.3000112.9F156 T160 A161 Q162F156-D158 WeakPolarHBondContact CB-O 3.22Å; D158-T160 VanDerWaalsContact C-N 3.25Å; D158-T160 PolarHBondContact O-N 3.27Å; D158-A161 HydrophobicContact CB-CB 4.35Å; D158-A161 PolarHBondContact O-N 3.36Å; D158-Q162 PolarHBondContact O-N 3.36Å
159Y82.7Confident86.5Confident102 Ų10259.7 Ų59.740%0.429%0.292SS..Hα-helixtrans-64.7-33.3176-180-101.8000111.5C107 A161 Q162 V163C107-Y159 PolarHBondContact SG-N 3.15Å; Y159-A161 VanDerWaalsContact C-N 3.34Å; Y159-A161 PolarHBondContact O-N 2.84Å; Y159-Q162 WeakPolarHBondContact O-CB 3.26Å; Y159-Q162 PolarHBondContact O-N 3.39Å; Y159-V163 HydrophobicContact CD1-CG2 4.06Å; Y159-V163 HydrophobicContact CE1-CG2 3.58Å; Y159-V163 HydrophobicContact CE2-CG2 4.31Å; Y159-V163 WeakPolarHBondContact O-CG2 3.33Å; Y159-V163 PolarHBondContact O-N 2.84Å
160T83.6Confident86.6Confident106 Ų10654.6 Ų54.665%0.6527%0.27SS*.Hα-helixtrans-60.5-43.7176.1-49.30000111.4D158 Q162 V163 M164D158-T160 VanDerWaalsContact C-N 3.25Å; D158-T160 PolarHBondContact O-N 3.27Å; T160-Q162 VanDerWaalsContact C-N 3.33Å; T160-Q162 PolarHBondContact O-N 2.64Å; T160-V163 PolarHBondContact O-N 3.11Å; T160-M164 WeakPolarHBondContact O-CG 3.27Å; T160-M164 PolarHBondContact O-N 2.91Å
161A86.3Confident86.7Confident6 Ų657.3 Ų57.35%0.0529%0.285CS..Hα-helixtrans-63.1-40.7176.900000111.6Y131 F156 D158 Y159 V163 M164 C165Y131-A161 VanDerWaalsContact O-CB 3.26Å; Y131-A161 WeakPolarHBondContact O-CB 3.26Å; F156-A161 HydrophobicContact CB-CB 4.13Å; F156-A161 HydrophobicContact CD1-CB 3.64Å; F156-A161 HydrophobicContact CE1-CB 4.23Å; F156-A161 HydrophobicContact CG-CB 3.94Å; D158-A161 HydrophobicContact CB-CB 4.35Å; D158-A161 PolarHBondContact O-N 3.36Å; Y159-A161 VanDerWaalsContact C-N 3.34Å; Y159-A161 PolarHBondContact O-N 2.84Å; A161-V163 PolarHBondContact O-N 3.46Å; A161-M164 PolarHBondContact O-N 3.09Å; A161-C165 WeakPolarHBondContact O-CB 3.2Å; A161-C165 PolarHBondContact O-N 2.89Å
162Q85.9Confident86.6Confident2 Ų254.1 Ų54.11%0.00927%0.273CS..Hα-helixtrans-59.1-45.3175.3-169.9-166.4-46.300112.2T108 L110 F156 D158 Y159 T160 C165 L166T108-Q162 PolarHBondContact O-OE1 3.03Å; T108-Q162 PolarHBondContact OG1-NE2 2.95Å; T108-Q162 PolarHBondContact OG1-OE1 2.91Å; L110-Q162 HydrophobicContact CD1-CG 3.79Å; L110-Q162 HydrophobicContact CD2-CG 3.72Å; L110-Q162 HydrophobicContact CG-CG 3.92Å; F156-Q162 HydrophobicContact CB-CB 4.41Å; F156-Q162 HydrophobicContact CD2-CB 4.06Å; F156-Q162 HydrophobicContact CD2-CG 4.41Å; D158-Q162 PolarHBondContact O-N 3.36Å; Y159-Q162 WeakPolarHBondContact O-CB 3.26Å; Y159-Q162 PolarHBondContact O-N 3.39Å; T160-Q162 VanDerWaalsContact C-N 3.33Å; T160-Q162 PolarHBondContact O-N 2.64Å; Q162-C165 PolarHBondContact O-N 3.12Å; Q162-L166 HydrophobicContact CG-CD1 4.32Å; Q162-L166 WeakPolarHBondContact O-CG 3.03Å; Q162-L166 PolarHBondContact O-N 3.5Å
163V83.5Confident86.1Confident31 Ų3157.6 Ų57.619%0.18829%0.289CS..Hα-helixtrans-65.9-44.5-179.8170.90000111.4Y159 T160 A161 C165 L166 A167 P392Y159-V163 HydrophobicContact CD1-CG2 4.06Å; Y159-V163 HydrophobicContact CE1-CG2 3.58Å; Y159-V163 HydrophobicContact CE2-CG2 4.31Å; Y159-V163 WeakPolarHBondContact O-CG2 3.33Å; Y159-V163 PolarHBondContact O-N 2.84Å; T160-V163 PolarHBondContact O-N 3.11Å; A161-V163 PolarHBondContact O-N 3.46Å; V163-C165 VanDerWaalsContact C-N 3.31Å; V163-C165 PolarHBondContact O-N 3.39Å; V163-L166 PolarHBondContact O-N 3.18Å; V163-A167 PolarHBondContact O-N 2.77Å; V163-A167 VanDerWaalsContact O-N 3.14Å; V163-P392 HydrophobicContact CG1-CB 3.36Å; V163-P392 HydrophobicContact CG1-CG 3.44Å; V163-P392 VanDerWaalsContact CG1-CG 3.44Å
164M85.8Confident85.6Confident112 Ų11263.3 Ų63.355%0.55232%0.322SS*.Hα-helixtrans-60.9-41.9176.4-68.3-66.3-72.800111.5Y131 T160 A161 A167 E168Y131-M164 HydrophobicContact CD1-CB 4.17Å; T160-M164 WeakPolarHBondContact O-CG 3.27Å; T160-M164 PolarHBondContact O-N 2.91Å; A161-M164 PolarHBondContact O-N 3.09Å; M164-A167 PolarHBondContact O-N 3.31Å; M164-E168 PolarHBondContact O-N 3.25Å
165C87.9Confident85.2Confident0 Ų068 Ų680%034%0.339CS..Hα-helixtrans-62.6-42.6175.6-175.80000111.7L110 F128 Y131 F156 A161 Q162 V163 A167 E168 H170L110-C165 HydrophobicContact CD1-CB 4.43Å; F128-C165 VanDerWaalsContact CE1-SG 3.57Å; Y131-C165 HydrophobicContact CD2-CB 4.38Å; Y131-C165 HydrophobicContact CG-CB 4.27Å; F156-C165 HydrophobicContact CE2-CB 3.61Å; F156-C165 HydrophobicContact CZ-CB 3.79Å; A161-C165 WeakPolarHBondContact O-CB 3.2Å; A161-C165 PolarHBondContact O-N 2.89Å; Q162-C165 PolarHBondContact O-N 3.12Å; V163-C165 VanDerWaalsContact C-N 3.31Å; V163-C165 PolarHBondContact O-N 3.39Å; C165-A167 VanDerWaalsContact C-N 3.28Å; C165-A167 PolarHBondContact O-N 2.65Å; C165-E168 PolarHBondContact O-N 3.37Å; C165-H170 PolarHBondContact O-CE1 2.79Å; C165-H170 PolarHBondContact O-NE2 3.03Å
166L86.3Confident85Confident58 Ų5869.4 Ų69.430%0.30435%0.35SS..Hα-helixtrans-69.3-22.7179.5-75.4169.5000114.3L110 Q162 V163 V179 I181L110-L166 HydrophobicContact CD1-CD2 4.38Å; L110-L166 HydrophobicContact CD1-CG 4.2Å; L110-L166 HydrophobicContact CD2-CD1 3.97Å; L110-L166 HydrophobicContact CD2-CD2 4.03Å; L110-L166 HydrophobicContact CD2-CG 4.13Å; Q162-L166 HydrophobicContact CG-CD1 4.32Å; Q162-L166 WeakPolarHBondContact O-CG 3.03Å; Q162-L166 PolarHBondContact O-N 3.5Å; V163-L166 PolarHBondContact O-N 3.18Å; L166-V179 HydrophobicContact CD2-CG1 4.26Å; L166-I181 HydrophobicContact CD1-CD1 3.99Å; L166-I181 HydrophobicContact CD1-CG1 3.87Å; L166-I181 HydrophobicContact CD2-CG1 4.41Å
167A84.7Confident84.9Confident47 Ų4769.8 Ų69.839%0.38835%0.353SS..Hα-helixtrans-79.3-27.5179.400000113V163 M164 C165V163-A167 PolarHBondContact O-N 2.77Å; V163-A167 VanDerWaalsContact O-N 3.14Å; M164-A167 PolarHBondContact O-N 3.31Å; C165-A167 VanDerWaalsContact C-N 3.28Å; C165-A167 PolarHBondContact O-N 2.65Å
168E81.2Confident84.9Confident115 Ų11571.5 Ų71.554%0.53736%0.355SS..SBendtrans-95.4151.9-173.1-164.757.4-115.900112.5Y131 M164 C165 H170Y131-E168 HydrophobicContact CE1-CB 4.3Å; Y131-E168 WeakPolarHBondContact OH-CG 3.44Å; M164-E168 PolarHBondContact O-N 3.25Å; C165-E168 PolarHBondContact O-N 3.37Å; E168-H170 PolarHBondContact O-CD2 2.98Å; E168-H170 PolarHBondContact O-NE2 3.11Å; E168-H170 VanDerWaalsContact O-NE2 3.1Å
169R83.9Confident85.1Confident202 Ų20267.6 Ų67.676%0.76234%0.335SS*.PPolyproline II helixtrans-88.4126.7169.6-74.3-172.2173.4-168.1-0.5110.5
170H87.5Confident85.2Confident3 Ų368.5 Ų68.51%0.01434%0.338CS..EExtended strand (participates in β ladder)trans-93.8135.3-175.6-58.2-72.4000111.4Y127 F128 Y131 C165 E168 Q176 C177 V179Y127-H170 HydrophobicContact CE1-CB 3.83Å; Y127-H170 AromaticContact CE1-ND1 3.47Å; Y127-H170 WeakPolarHBondContact CE1-ND1 3.14Å; Y127-H170 WeakPolarHBondContact OH-CA 3.26Å; F128-H170 AromaticContact CE1-CE1 3.9Å; F128-H170 AromaticContact CE1-CG 3.87Å; F128-H170 AromaticContact CE1-ND1 3.62Å; Y131-H170 AromaticContact CE2-CE1 3.55Å; Y131-H170 AromaticContact CE2-ND1 3.78Å; Y131-H170 AromaticContact CZ-CE1 3.51Å; Y131-H170 AromaticContact CZ-ND1 3.92Å; Y131-H170 PolarHBondContact OH-CE1 2.81Å; Y131-H170 VanDerWaalsContact OH-CE1 3.29Å; Y131-H170 PolarHBondContact OH-ND1 3.2Å; C165-H170 PolarHBondContact O-CE1 2.79Å; C165-H170 PolarHBondContact O-NE2 3.03Å; E168-H170 PolarHBondContact O-CD2 2.98Å; E168-H170 PolarHBondContact O-NE2 3.11Å; E168-H170 VanDerWaalsContact O-NE2 3.1Å; H170-Q176 CarbonylContact O-C 3.59Å; H170-Q176 WeakPolarHBondContact O-CA 3.46Å; H170-C177 HydrophobicContact CB-CB 4.15Å; H170-C177 PolarHBondContact O-N 3.4Å; H170-V179 HydrophobicContact CB-CG2 4.38Å; H170-V179 WeakPolarHBondContact CD2-CG2 3.41Å
171T87.5Confident85.2Confident65 Ų6566.9 Ų66.940%0.39932%0.324SS..EExtended strand (participates in β ladder)trans-129.3112.2172.7-57.90000109Y127 R175Y127-T171 VanDerWaalsContact CE2-O 3.32Å; Y127-T171 WeakPolarHBondContact CE2-O 3.23Å; Y127-T171 PolarHBondContact OH-N 3.03Å; T171-R175 WeakPolarHBondContact CA-O 3.21Å
172I86.6Confident84.8Confident5 Ų568.2 Ų68.23%0.02633%0.332CS..EExtended strand (participates in β ladder)trans-114.4122.6-178.5-59.9172.8000107.3L115 P116 T123 Y127 F128 N174 R175 C177L115-I172 HydrophobicContact CD2-CD1 3.84Å; P116-I172 HydrophobicContact CG-CG2 4.19Å; T123-I172 HydrophobicContact CG2-CG2 4.08Å; Y127-I172 HydrophobicContact CD1-CD1 3.85Å; Y127-I172 HydrophobicContact CD1-CG1 3.74Å; Y127-I172 HydrophobicContact CD2-CG1 4.15Å; Y127-I172 HydrophobicContact CE1-CD1 4.26Å; Y127-I172 HydrophobicContact CE1-CG1 3.89Å; Y127-I172 HydrophobicContact CE2-CG1 4.29Å; Y127-I172 HydrophobicContact CG-CD1 4.24Å; Y127-I172 HydrophobicContact CG-CG1 3.87Å; F128-I172 HydrophobicContact CE2-CD1 3.92Å; F128-I172 HydrophobicContact CZ-CD1 4.2Å; I172-N174 VanDerWaalsContact C-N 3.34Å; I172-N174 PolarHBondContact O-N 3.23Å; I172-R175 PolarHBondContact N-O 3.36Å; I172-R175 WeakPolarHBondContact O-CB 3.42Å; I172-R175 PolarHBondContact O-N 2.78Å; I172-C177 HydrophobicContact CD1-CB 4.4Å
173E81.2Confident83.9Confident73 Ų7373.7 Ų73.734%0.34136%0.36SS..THydrogen-bonded Turntrans50.844.2179.4-57.9-170.1128.600115.1P116 R118 R175P116-E173 VanDerWaalsContact CB-OE2 3.25Å; P116-E173 WeakPolarHBondContact CB-OE2 3.4Å; P116-E173 HydrophobicContact CG-CB 4.07Å; P116-E173 HydrophobicContact CG-CG 4.38Å; P116-E173 WeakPolarHBondContact CG-OE2 3.29Å; R118-E173 VanDerWaalsContact CG-OE2 3.32Å; R118-E173 WeakPolarHBondContact CG-OE2 3.36Å; R118-E173 IonicContact CZ-OE1 2.65Å; R118-E173 IonicContact CZ-OE2 3.38Å; R118-E173 VanDerWaalsContact NE-CD 3.28Å; R118-E173 IonicContact NE-OE1 3.92Å; R118-E173 PolarHBondContact NE-OE1 2.99Å; R118-E173 IonicContact NE-OE2 3.23Å; R118-E173 PolarHBondContact NE-OE2 2.77Å; R118-E173 IonicContact NH2-OE1 3.42Å; R118-E173 PolarHBondContact NH2-OE1 3.45Å; R118-E173 IonicContact NH2-OE2 2.7Å; R118-E173 PolarHBondContact NH2-OE2 2.8Å; E173-R175 PolarHBondContact O-N 2.89Å
174N81.6Confident82.5Confident165 Ų16576.6 Ų76.688%0.88238%0.382SS*.THydrogen-bonded Turntrans67.116.5-176.6-52.1-22.5000115I172I172-N174 VanDerWaalsContact C-N 3.34Å; I172-N174 PolarHBondContact O-N 3.23Å
175R84.1Confident80.9Confident99 Ų9981.1 Ų81.137%0.37440%0.399SS..EExtended strand (participates in β ladder)trans-117.7126.6174.1-164.5171-178.9142.6-1.3110.4N114 P116 T171 I172 E173 C177N114-R175 WeakPolarHBondContact O-CD 3.43Å; N114-R175 PolarHBondContact O-NE 3.27Å; N114-R175 VanDerWaalsContact OD1-CZ 3.3Å; N114-R175 PolarHBondContact OD1-NE 3.16Å; N114-R175 PolarHBondContact OD1-NH2 3.42Å; P116-R175 HydrophobicContact CG-CB 4.41Å; T171-R175 WeakPolarHBondContact CA-O 3.21Å; I172-R175 PolarHBondContact N-O 3.36Å; I172-R175 WeakPolarHBondContact O-CB 3.42Å; I172-R175 PolarHBondContact O-N 2.78Å; E173-R175 PolarHBondContact O-N 2.89Å; R175-C177 PolarHBondContact O-N 2.91Å; R175-C177 PolarHBondContact O-SG 2.79Å
176Q84.7Confident78.8Confident125 Ų12589 Ų8958%0.58444%0.438SS*.EExtended strand (participates in β ladder)trans-70.1119.7176.4-67.8-173.7-57.300110N114 H170N114-Q176 PolarHBondContact ND2-O 3.32Å; H170-Q176 CarbonylContact O-C 3.59Å; H170-Q176 WeakPolarHBondContact O-CA 3.46Å
177C88.6Confident76.6Confident9 Ų995.9 Ų95.96%0.06147%0.468CS..EExtended strand (participates in β ladder)trans-102.4141.8178.9-60.80000109.5V112 L113 H170 I172 R175V112-C177 HydrophobicContact CG1-CB 4.17Å; L113-C177 WeakPolarHBondContact O-CA 3.4Å; H170-C177 HydrophobicContact CB-CB 4.15Å; H170-C177 PolarHBondContact O-N 3.4Å; I172-C177 HydrophobicContact CD1-CB 4.4Å; R175-C177 PolarHBondContact O-N 2.91Å; R175-C177 PolarHBondContact O-SG 2.79Å
178D85.4Confident74.4Confident81 Ų8197 Ų9743%0.43348%0.484SS..EExtended strand (participates in β ladder)trans-107.5118179.7179.730.3000108.9L113 R180L113-D178 HydrophobicContact CB-CB 4.24Å; L113-D178 PolarHBondContact N-O 3.33Å; L113-D178 PolarHBondContact O-N 3.24Å; D178-R180 IonicContact OD2-NH1 2.63Å
179V89.2Confident72.3Confident13 Ų1399.1 Ų99.18%0.07950%0.499CS..EExtended strand (participates in β ladder)trans-106.9125.9-179.8-177.90000108.4L110 I111 V112 F128 L166 H170L110-V179 HydrophobicContact CB-CG1 3.96Å; L110-V179 HydrophobicContact CD1-CG1 3.74Å; L110-V179 HydrophobicContact CG-CG1 4.45Å; I111-V179 WeakPolarHBondContact O-CA 3.05Å; V112-V179 HydrophobicContact CB-CG2 4.41Å; V112-V179 HydrophobicContact CG1-CG2 3.96Å; V112-V179 HydrophobicContact CG2-CG2 4.09Å; F128-V179 HydrophobicContact CE1-CG2 3.86Å; F128-V179 HydrophobicContact CZ-CG2 3.75Å; L166-V179 HydrophobicContact CD2-CG1 4.26Å; H170-V179 HydrophobicContact CB-CG2 4.38Å; H170-V179 WeakPolarHBondContact CD2-CG2 3.41Å
180R84.5Confident70.4Confident121 Ų121100.1 Ų100.146%0.45750%0.503SS..EExtended strand (participates in β ladder)trans-147.9164.4-178.364.7-168.9-166-173.48.7111.5I111 D178I111-R180 HydrophobicContact CG2-CG 3.41Å; I111-R180 VanDerWaalsContact CG2-CG 3.41Å; I111-R180 WeakPolarHBondContact CG2-O 3.2Å; I111-R180 PolarHBondContact N-O 3.13Å; I111-R180 PolarHBondContact O-N 2.93Å; D178-R180 IonicContact OD2-NH1 2.63Å
181I83.8Confident68.2Low73 Ų73106.1 Ų106.137%0.37453%0.531SS..  trans-73.7121.9170.1-59175.5000107.4F102 L110 L166 I183F102-I181 HydrophobicContact CZ-CD1 4.48Å; L110-I181 HydrophobicContact CD2-CG1 3.85Å; L166-I181 HydrophobicContact CD1-CD1 3.99Å; L166-I181 HydrophobicContact CD1-CG1 3.87Å; L166-I181 HydrophobicContact CD2-CG1 4.41Å; I181-I183 PolarHBondContact O-N 3.13Å
182P76.5Confident66.5Low33 Ų33109.4 Ų109.421%0.21454%0.542CS..  trans-62.9132.4176.523.6-25.5000108.8D109 I111 F153 S184D109-P182 WeakPolarHBondContact O-CD 3.45Å; D109-P182 VanDerWaalsContact O-CG 3.22Å; D109-P182 WeakPolarHBondContact O-CG 3.37Å; I111-P182 HydrophobicContact CB-CB 4Å; I111-P182 HydrophobicContact CB-CG 4.38Å; I111-P182 HydrophobicContact CG2-CB 3.88Å; I111-P182 HydrophobicContact CG2-CG 4.49Å; F153-P182 HydrophobicContact CD1-CG 4.35Å; F153-P182 HydrophobicContact CE1-CB 3.95Å; F153-P182 HydrophobicContact CE1-CG 4.12Å; P182-S184 PolarHBondContact O-N 3.11Å
183I66.8Low64.9Low117 Ų117113.1 Ų113.160%0.657%0.565SS**  trans-70.7105.6170.8-51.9174.4000105.7I181 K185 E192I181-I183 PolarHBondContact O-N 3.13Å; I183-K185 PolarHBondContact O-N 3.1Å; I183-E192 WeakPolarHBondContact CD1-OE1 3.49Å; I183-E192 WeakPolarHBondContact CG2-OE1 3.31Å
184S55.9Low64Low92 Ų92111.4 Ų111.464%0.64356%0.561SS**  trans-59.4124.7173.552.20000107.2P182 M186P182-S184 PolarHBondContact O-N 3.11Å; S184-M186 PolarHBondContact O-N 3.45Å
185K50.3Low63.7Low207 Ų207110.2 Ų110.290%0.954%0.544SS*.  trans-67.375.1170.3-64.8-179.9-179.3-179.60107.6I183 E187I183-K185 PolarHBondContact O-N 3.1Å; K185-E187 VanDerWaalsContact C-N 3.3Å; K185-E187 PolarHBondContact O-N 3.01Å; K185-E187 VanDerWaalsContact O-N 3.08Å
186M44.9Very low63.7Low166 Ų166109 Ų10982%0.81854%0.541SS*.  trans-70.9101159.2-85.8-168.779.200106.3S184 G188S184-M186 PolarHBondContact O-N 3.45Å; M186-G188 PolarHBondContact O-N 3.21Å
187E39.1Very low63.9Low203 Ų203103 Ų10395%0.94951%0.514SS*.THydrogen-bonded Turntrans-51.596.2172-151.7142.8-151.200108.9K185K185-E187 VanDerWaalsContact C-N 3.3Å; K185-E187 PolarHBondContact O-N 3.01Å; K185-E187 VanDerWaalsContact O-N 3.08Å
188G39Very low63.9Low70 Ų70105.2 Ų105.272%0.72252%0.523SS*.THydrogen-bonded Turntrans170.8-41.2179.100000118.6M186M186-G188 PolarHBondContact O-N 3.21Å
189D37.9Very low64Low160 Ų160101.4 Ų101.486%0.85650%0.502SS*.  trans-117.6105.4-170.6-135.96.7000112.9
190R42.8Very low63.9Low222 Ų222101.2 Ų101.284%0.83850%0.503SS*.  trans-66.1144.9175.7-65.9153.175.8133.4-2.2108.2
191Q41.8Very low64Low130 Ų130103.8 Ų103.861%0.60751%0.513SS*.  trans76.874.3-176.5-105.493.29.400114.6V193Q191-V193 PolarHBondContact O-N 3.41Å
192E51.7Low64.1Low133 Ų133100.5 Ų100.562%0.62150%0.496SS*.  trans-53.5117.5146.2-84.6178.3-170.800106.5I183 S194I183-E192 WeakPolarHBondContact CD1-OE1 3.49Å; I183-E192 WeakPolarHBondContact CG2-OE1 3.31Å; E192-S194 PolarHBondContact O-N 3.38Å
193V53.3Low64.5Low84 Ų84101.1 Ų101.151%0.50950%0.499SS..  trans-63.480.6179.8-160.20000107.1Q191 R195 P241 A245Q191-V193 PolarHBondContact O-N 3.41Å; V193-R195 PolarHBondContact O-N 3.01Å; V193-P241 HydrophobicContact CB-CB 4.22Å; V193-P241 HydrophobicContact CG1-CB 4.03Å; V193-P241 WeakPolarHBondContact CG1-O 3.12Å; V193-A245 HydrophobicContact CG1-CB 3.72Å
194S61.9Low65.3Low37 Ų37103 Ų10326%0.25951%0.505SS..  trans-66118-173.858.60000105.8E192 K196 A244E192-S194 PolarHBondContact O-N 3.38Å; S194-K196 CarbonylContact O-C 3.53Å; S194-K196 PolarHBondContact O-N 3.46Å; S194-K196 VanDerWaalsContact O-O 3.07Å; S194-K196 PolarHBondContact OG-O 3.5Å; S194-A244 WeakPolarHBondContact O-CB 3.44Å
195R76.5Confident66.6Low140 Ų140105.2 Ų105.253%0.52851%0.51SS..SBendtrans-47.6-20.3165-81-175.7-87.7170.5-10.1112.2V193 T237 F238 D239 P241V193-R195 PolarHBondContact O-N 3.01Å; R195-T237 HydrophobicContact CB-CG2 4.19Å; R195-T237 CarbonylContact O-C 3.55Å; R195-T237 WeakPolarHBondContact O-CA 3.27Å; R195-F238 VanDerWaalsContact CB-O 3.31Å; R195-F238 WeakPolarHBondContact CB-O 3.41Å; R195-F238 WeakPolarHBondContact CD-O 3.29Å; R195-F238 PolarHBondContact O-N 2.9Å; R195-D239 WeakPolarHBondContact CD-O 3.24Å; R195-P241 HydrophobicContact CG-CB 3.94Å
196K83.6Confident68.1Low72 Ų7295.6 Ų95.631%0.31347%0.468SS..EExtended strand (participates in β ladder)trans-87.5126.2172.4-160.4164.8-172.8159.20112.3S194 F235 I236 A264S194-K196 CarbonylContact O-C 3.53Å; S194-K196 PolarHBondContact O-N 3.46Å; S194-K196 VanDerWaalsContact O-O 3.07Å; S194-K196 PolarHBondContact OG-O 3.5Å; K196-F235 HydrophobicContact CD-CB 4.24Å; K196-F235 HydrophobicContact CD-CD1 4.48Å; K196-F235 HydrophobicContact CG-CB 4.06Å; K196-F235 HydrophobicContact CG-CD1 4.35Å; K196-I236 CarbonylContact C-O 3.41Å; K196-I236 VanDerWaalsContact CA-O 3.23Å; K196-I236 WeakPolarHBondContact CA-O 3.42Å; K196-A264 HydrophobicContact CB-CB 3.92Å; K196-A264 HydrophobicContact CD-CB 4.45Å; K196-A264 HydrophobicContact CG-CB 3.79Å; K196-A264 WeakPolarHBondContact O-CB 3.49Å
197V87.9Confident70.1Confident1 Ų190.4 Ų90.41%0.00645%0.448CS..EExtended strand (participates in β ladder)trans-106.9150168.5-60.70000110.3I199 F235 I236 F238 A244 L248 V261V197-I199 HydrophobicContact CG2-CD1 3.75Å; V197-I199 HydrophobicContact CG2-CG1 4.45Å; V197-F235 VanDerWaalsContact O-CA 3.26Å; V197-F235 WeakPolarHBondContact O-CA 3.47Å; V197-I236 HydrophobicContact CG2-CB 3.8Å; V197-I236 WeakPolarHBondContact CG2-O 3.46Å; V197-I236 PolarHBondContact N-O 2.84Å; V197-I236 PolarHBondContact O-N 2.86Å; V197-F238 HydrophobicContact CG1-CD2 4.35Å; V197-F238 HydrophobicContact CG1-CE2 4.17Å; V197-F238 HydrophobicContact CG2-CD2 4.33Å; V197-F238 HydrophobicContact CG2-CE2 3.68Å; V197-A244 HydrophobicContact CG1-CB 3.69Å; V197-L248 HydrophobicContact CG1-CD2 4.27Å; V197-V261 HydrophobicContact CB-CG1 3.99Å; V197-V261 HydrophobicContact CG1-CG1 4.31Å; V197-V261 HydrophobicContact CG2-CG1 4.3Å
198H88.3Confident72.4Confident55 Ų5583.9 Ų83.926%0.25542%0.424SS..EExtended strand (participates in β ladder)trans-96.7122.8171.5167.8-88.8000109F233 F235 G262 A264H198-F233 AromaticContact CD2-CD2 3.97Å; H198-F233 VanDerWaalsContact NE2-CB 3.33Å; H198-F233 WeakPolarHBondContact NE2-CB 3.26Å; H198-F233 AromaticContact NE2-CD2 3.8Å; H198-F233 AromaticContact NE2-CG 3.63Å; H198-F235 HydrophobicContact CB-CD1 4.13Å; H198-F235 HydrophobicContact CB-CE1 4.05Å; H198-F235 AromaticContact CD2-CE1 3.8Å; H198-G262 PolarHBondContact N-O 3.05Å; H198-G262 PolarHBondContact O-N 2.8Å; H198-A264 HydrophobicContact CB-CB 4.38Å
199I88.6Confident74.7Confident0 Ų086.2 Ų86.20%042%0.416CS..EExtended strand (participates in β ladder)trans-101.5110.5175.8-51-55.1000107.7V197 L211 F215 F233 A234 I236 I259 S260 V261V197-I199 HydrophobicContact CG2-CD1 3.75Å; V197-I199 HydrophobicContact CG2-CG1 4.45Å; I199-L211 HydrophobicContact CG2-CD2 4.34Å; I199-F215 HydrophobicContact CD1-CE1 4.05Å; I199-F215 HydrophobicContact CD1-CE2 3.95Å; I199-F215 HydrophobicContact CD1-CZ 3.45Å; I199-F215 VanDerWaalsContact CD1-CZ 3.45Å; I199-F215 HydrophobicContact CG1-CE2 4.24Å; I199-F215 HydrophobicContact CG1-CZ 4.23Å; I199-F233 CarbonylContact O-C 3.51Å; I199-F233 WeakPolarHBondContact O-CA 3.34Å; I199-F233 VanDerWaalsContact O-CB 3.26Å; I199-F233 WeakPolarHBondContact O-CB 3.49Å; I199-A234 HydrophobicContact CB-CB 4.31Å; I199-A234 PolarHBondContact N-O 3.35Å; I199-A234 PolarHBondContact O-N 3.14Å; I199-I236 HydrophobicContact CD1-CD1 4.08Å; I199-I236 HydrophobicContact CG1-CD1 3.65Å; I199-I236 HydrophobicContact CG1-CG1 3.85Å; I199-I259 HydrophobicContact CG2-CB 4.05Å; I199-I259 HydrophobicContact CG2-CD1 3.7Å; I199-I259 HydrophobicContact CG2-CG1 4.47Å; I199-I259 HydrophobicContact CG2-CG2 4.48Å; I199-S260 CarbonylContact C-O 3.54Å; I199-S260 WeakPolarHBondContact CA-O 3.45Å; I199-V261 HydrophobicContact CD1-CB 4.37Å; I199-V261 HydrophobicContact CD1-CG1 4.03Å; I199-V261 HydrophobicContact CD1-CG2 3.88Å
200G87.6Confident77.1Confident9 Ų979.2 Ų79.29%0.09338%0.38CS..EExtended strand (participates in β ladder)trans-99.3169.9174.100000112.6L202 S232 I259 S260G200-L202 PolarHBondContact O-N 2.9Å; G200-S232 CarbonylContact C-O 3.47Å; G200-I259 WeakPolarHBondContact O-CA 3.12Å; G200-S260 PolarHBondContact N-O 3.17Å; G200-S260 PolarHBondContact O-N 3.02Å
201R85.6Confident79.3Confident176 Ų17668.7 Ų68.766%0.66434%0.341SS*.SBendtrans59.232.3-178.4-58.8-175.3177.7165.6-0113.7S232R201-S232 PolarHBondContact N-O 2.88Å
202L85.7Confident81.6Confident4 Ų467.6 Ų67.62%0.02133%0.331CS..  trans-74.2140.1172.2-161.471.3000109.5G200 I206 L211 I226 F230 S232 A234 I259G200-L202 PolarHBondContact O-N 2.9Å; L202-I206 HydrophobicContact CD1-CB 3.78Å; L202-I206 HydrophobicContact CD1-CD1 3.62Å; L202-I206 HydrophobicContact CD1-CG1 4.29Å; L202-I206 HydrophobicContact CD1-CG2 3.76Å; L202-I206 HydrophobicContact CG-CB 4.18Å; L202-I206 HydrophobicContact CG-CD1 4.36Å; L202-L211 HydrophobicContact CD1-CD1 4.15Å; L202-L211 HydrophobicContact CD1-CD2 3.8Å; L202-L211 HydrophobicContact CD1-CG 4.26Å; L202-L211 HydrophobicContact CD2-CD1 3.88Å; L202-I226 HydrophobicContact CD2-CD1 4.17Å; L202-F230 HydrophobicContact CB-CE2 4.47Å; L202-F230 HydrophobicContact CB-CZ 4.06Å; L202-F230 HydrophobicContact CD2-CE2 3.95Å; L202-F230 HydrophobicContact CD2-CZ 4.33Å; L202-F230 HydrophobicContact CG-CE2 4.31Å; L202-F230 HydrophobicContact CG-CZ 4.21Å; L202-F230 WeakPolarHBondContact O-CE1 3.43Å; L202-F230 WeakPolarHBondContact O-CZ 3.45Å; L202-S232 PolarHBondContact N-O 2.8Å; L202-S232 VanDerWaalsContact O-CA 3.26Å; L202-S232 WeakPolarHBondContact O-CA 3.43Å; L202-S232 VanDerWaalsContact O-CB 3.27Å; L202-S232 WeakPolarHBondContact O-CB 3.47Å; L202-A234 HydrophobicContact CD2-CB 3.87Å; L202-I259 HydrophobicContact CD1-CG2 4.07Å
203T85Confident83.3Confident46 Ų4668.3 Ų68.328%0.28233%0.334SS..  trans-91.4155.5166.752.30000110.3D205 I206 F230 V257T203-D205 PolarHBondContact O-N 3.18Å; T203-I206 PolarHBondContact O-N 2.77Å; T203-I206 WeakPolarHBondContact OG1-CD1 3.38Å; T203-F230 VanDerWaalsContact O-CZ 3.27Å; T203-F230 WeakPolarHBondContact O-CZ 3Å; T203-V257 HydrophobicContact CG2-CG1 3.78Å; T203-V257 HydrophobicContact CG2-CG2 4.05Å
204E84Confident85Confident155 Ų15566.2 Ų66.272%0.72432%0.319SS*.THydrogen-bonded Turntrans-65.2-21.4-178.1-171.6167.4-16900112.4I206 F230E204-I206 PolarHBondContact O-N 2.76Å; E204-F230 HydrophobicContact CB-CD1 3.95Å; E204-F230 HydrophobicContact CB-CE1 3.96Å; E204-F230 HydrophobicContact CB-CG 4.27Å; E204-F230 HydrophobicContact CB-CZ 4.28Å; E204-F230 HydrophobicContact CG-CD1 4.4Å; E204-F230 HydrophobicContact CG-CG 4.28Å; E204-F230 VanDerWaalsContact N-CZ 3.33Å
205D83.3Confident86.3Confident139 Ų13964.5 Ų64.574%0.74331%0.307SS*.THydrogen-bonded Turntrans-68.1-20.6178.2-50.8-45.5000113.3T203 S207T203-D205 PolarHBondContact O-N 3.18Å; D205-S207 PolarHBondContact O-N 2.72Å
206I82.8Confident86.8Confident5 Ų560.9 Ų60.93%0.02630%0.303CS..  trans-85.9110.6-176.2-60167.6000109.7L202 T203 E204 A210 L211 I254 V257 I259L202-I206 HydrophobicContact CD1-CB 3.78Å; L202-I206 HydrophobicContact CD1-CD1 3.62Å; L202-I206 HydrophobicContact CD1-CG1 4.29Å; L202-I206 HydrophobicContact CD1-CG2 3.76Å; L202-I206 HydrophobicContact CG-CB 4.18Å; L202-I206 HydrophobicContact CG-CD1 4.36Å; T203-I206 PolarHBondContact O-N 2.77Å; T203-I206 WeakPolarHBondContact OG1-CD1 3.38Å; E204-I206 PolarHBondContact O-N 2.76Å; I206-A210 HydrophobicContact CG2-CB 4.09Å; I206-L211 HydrophobicContact CG2-CD2 4.26Å; I206-L211 HydrophobicContact CG2-CG 3.94Å; I206-I254 HydrophobicContact CD1-CB 4.5Å; I206-I254 HydrophobicContact CG2-CG2 4.3Å; I206-V257 HydrophobicContact CD1-CB 3.94Å; I206-V257 HydrophobicContact CD1-CG1 4.13Å; I206-V257 HydrophobicContact CD1-CG2 4.2Å; I206-I259 HydrophobicContact CD1-CG2 4.45Å
207S85.7Confident87Confident57 Ų5763.2 Ų63.240%0.39932%0.315SS..  trans-70.5153.8176.275.70000111.9D205 E209 A210 L211D205-S207 PolarHBondContact O-N 2.72Å; S207-E209 PolarHBondContact O-N 3.29Å; S207-A210 WeakPolarHBondContact O-CB 3.42Å; S207-A210 PolarHBondContact O-N 2.81Å; S207-A210 VanDerWaalsContact O-N 3.09Å; S207-A210 PolarHBondContact OG-N 3.25Å; S207-A210 VanDerWaalsContact OG-N 3.12Å; S207-L211 PolarHBondContact O-N 2.88Å; S207-L211 VanDerWaalsContact O-N 3.15Å
208P87.3Confident86.9Confident66 Ų6667.4 Ų67.443%0.42933%0.331SS..Hα-helixtrans-60.1-27.1173.625.3-33.9000112.3L211 R212 V224 I226P208-L211 PolarHBondContact O-N 2.84Å; P208-R212 WeakPolarHBondContact O-CB 3.14Å; P208-R212 PolarHBondContact O-N 2.75Å; P208-V224 HydrophobicContact CB-CB 4.49Å; P208-V224 HydrophobicContact CB-CG1 3.88Å; P208-I226 HydrophobicContact CB-CD1 3.82Å; P208-I226 HydrophobicContact CB-CG1 4.26Å; P208-I226 HydrophobicContact CG-CD1 4.31Å
209E87.7Confident86.7Confident119 Ų11965.6 Ų65.656%0.55633%0.327SS*.Hα-helixtrans-69.6-40.4175.4-164.858.1-144.800111.6S207 L211 R212 Q213S207-E209 PolarHBondContact O-N 3.29Å; E209-L211 VanDerWaalsContact C-N 3.33Å; E209-L211 PolarHBondContact O-N 2.8Å; E209-R212 WeakPolarHBondContact O-CB 3.21Å; E209-R212 PolarHBondContact O-N 3.38Å; E209-Q213 WeakPolarHBondContact O-CB 3.32Å; E209-Q213 PolarHBondContact O-N 3.01Å
210A88.6Confident86.6Confident14 Ų1474 Ų7412%0.11636%0.359CS..Hα-helixtrans-62.6-40.9174.300000111.6I206 S207 H214I206-A210 HydrophobicContact CG2-CB 4.09Å; S207-A210 WeakPolarHBondContact O-CB 3.42Å; S207-A210 PolarHBondContact O-N 2.81Å; S207-A210 VanDerWaalsContact O-N 3.09Å; S207-A210 PolarHBondContact OG-N 3.25Å; S207-A210 VanDerWaalsContact OG-N 3.12Å; A210-H214 WeakPolarHBondContact O-CB 3.49Å; A210-H214 PolarHBondContact O-N 2.81Å
211L88.9Confident86.7Confident0 Ų073.7 Ų73.70%036%0.355CS..Hα-helixtrans-60.8-48.1171.2-74.1171.7000111.2I199 L202 I206 S207 P208 E209 Q213 H214 F215 V224 I226 A234 I236 I254I199-L211 HydrophobicContact CG2-CD2 4.34Å; L202-L211 HydrophobicContact CD1-CD1 4.15Å; L202-L211 HydrophobicContact CD1-CD2 3.8Å; L202-L211 HydrophobicContact CD1-CG 4.26Å; L202-L211 HydrophobicContact CD2-CD1 3.88Å; I206-L211 HydrophobicContact CG2-CD2 4.26Å; I206-L211 HydrophobicContact CG2-CG 3.94Å; S207-L211 PolarHBondContact O-N 2.88Å; S207-L211 VanDerWaalsContact O-N 3.15Å; P208-L211 PolarHBondContact O-N 2.84Å; E209-L211 VanDerWaalsContact C-N 3.33Å; E209-L211 PolarHBondContact O-N 2.8Å; L211-Q213 VanDerWaalsContact C-N 3.35Å; L211-Q213 PolarHBondContact O-N 2.99Å; L211-H214 PolarHBondContact O-N 3.26Å; L211-F215 HydrophobicContact CB-CD2 4.5Å; L211-F215 HydrophobicContact CD2-CD2 4.22Å; L211-F215 HydrophobicContact CD2-CE2 3.78Å; L211-F215 WeakPolarHBondContact O-CB 3.47Å; L211-F215 VanDerWaalsContact O-CD2 3.24Å; L211-F215 WeakPolarHBondContact O-CD2 3.37Å; L211-F215 PolarHBondContact O-N 3.26Å; L211-V224 HydrophobicContact CB-CG1 4.09Å; L211-V224 HydrophobicContact CD1-CG1 4.08Å; L211-I226 HydrophobicContact CD1-CD1 3.98Å; L211-I226 HydrophobicContact CD1-CG1 4.31Å; L211-A234 HydrophobicContact CD1-CB 3.75Å; L211-I236 HydrophobicContact CB-CD1 4.14Å; L211-I236 HydrophobicContact CD2-CD1 4.31Å; L211-I254 HydrophobicContact CD2-CD1 3.68Å
212R89.3Confident86.7Confident107 Ų10768.6 Ų68.640%0.40435%0.346SS..Hα-helixtrans-58.2-48.1179.9-168.6172.2-159.9-88.5-9.4111.5P208 E209 S216 V221 V224P208-R212 WeakPolarHBondContact O-CB 3.14Å; P208-R212 PolarHBondContact O-N 2.75Å; E209-R212 WeakPolarHBondContact O-CB 3.21Å; E209-R212 PolarHBondContact O-N 3.38Å; R212-S216 WeakPolarHBondContact O-CB 3.36Å; R212-S216 PolarHBondContact O-N 3.32Å; R212-V221 HydrophobicContact CG-CB 4.3Å; R212-V221 HydrophobicContact CG-CG1 4.27Å; R212-V221 PolarHBondContact NH2-O 3.46Å; R212-V224 HydrophobicContact CB-CG2 4.03Å; R212-V224 HydrophobicContact CG-CG2 4.38Å
213Q89Confident86.6Confident148 Ų14872.2 Ų72.269%0.69237%0.366SS*.Hα-helixtrans-62.8-45.6180-172.5177.85.600111.7E209 L211 S216E209-Q213 WeakPolarHBondContact O-CB 3.32Å; E209-Q213 PolarHBondContact O-N 3.01Å; L211-Q213 VanDerWaalsContact C-N 3.35Å; L211-Q213 PolarHBondContact O-N 2.99Å; Q213-S216 PolarHBondContact O-N 3.22Å
214H88.3Confident86.8Confident41 Ų4171.3 Ų71.319%0.1936%0.36CS..Hα-helixtrans-66.1-45.9179.4-172.286.6000112A210 L211 S216 Q217 E253 I254A210-H214 WeakPolarHBondContact O-CB 3.49Å; A210-H214 PolarHBondContact O-N 2.81Å; L211-H214 PolarHBondContact O-N 3.26Å; H214-S216 VanDerWaalsContact C-N 3.32Å; H214-S216 PolarHBondContact O-N 3.42Å; H214-Q217 PolarHBondContact NE2-NE2 2.95Å; H214-Q217 WeakPolarHBondContact O-CG 3.2Å; H214-Q217 PolarHBondContact O-N 3.45Å; H214-Q217 PolarHBondContact O-NE2 3.05Å; H214-E253 PolarHBondContact CE1-O 3.41Å; H214-E253 VanDerWaalsContact CE1-O 3.26Å; H214-I254 HydrophobicContact CB-CD1 3.77Å; H214-I254 HydrophobicContact CB-CG1 4.13Å
215F88.3Confident86.9Confident0 Ų068.8 Ų68.80%035%0.347CS..Hα-helixtrans-76.9-19.3-178.9-76.6-76.5000113.6I199 L211 Q217 Y218 V221 I236 F238 L247 Q252 I254 I259 V261I199-F215 HydrophobicContact CD1-CE1 4.05Å; I199-F215 HydrophobicContact CD1-CE2 3.95Å; I199-F215 HydrophobicContact CD1-CZ 3.45Å; I199-F215 VanDerWaalsContact CD1-CZ 3.45Å; I199-F215 HydrophobicContact CG1-CE2 4.24Å; I199-F215 HydrophobicContact CG1-CZ 4.23Å; L211-F215 HydrophobicContact CB-CD2 4.5Å; L211-F215 HydrophobicContact CD2-CD2 4.22Å; L211-F215 HydrophobicContact CD2-CE2 3.78Å; L211-F215 WeakPolarHBondContact O-CB 3.47Å; L211-F215 VanDerWaalsContact O-CD2 3.24Å; L211-F215 WeakPolarHBondContact O-CD2 3.37Å; L211-F215 PolarHBondContact O-N 3.26Å; F215-Q217 PolarHBondContact O-N 3.42Å; F215-Q217 VanDerWaalsContact O-N 3.15Å; F215-Y218 HydrophobicContact CD1-CD2 4.19Å; F215-Y218 PolarHBondContact O-N 3.45Å; F215-Y218 VanDerWaalsContact O-N 3.11Å; F215-V221 HydrophobicContact CB-CG2 3.87Å; F215-I236 HydrophobicContact CB-CD1 4.14Å; F215-I236 HydrophobicContact CB-CG2 4.48Å; F215-I236 HydrophobicContact CD1-CD1 4.33Å; F215-I236 HydrophobicContact CD2-CD1 3.01Å; F215-I236 HydrophobicContact CE2-CD1 3.33Å; F215-I236 HydrophobicContact CG-CD1 3.57Å; F215-I236 HydrophobicContact CZ-CD1 4.12Å; F215-F238 HydrophobicContact CB-CE1 4.1Å; F215-F238 HydrophobicContact CB-CZ 3.87Å; F215-F238 AromaticContact CD1-CZ 3.77Å; F215-F238 HydrophobicContact CD1-CZ 3.77Å; F215-F238 HydrophobicContact CG-CZ 4.14Å; F215-L247 HydrophobicContact CD1-CD1 3.9Å; F215-L247 HydrophobicContact CE1-CD1 4.17Å; F215-Q252 HydrophobicContact CE1-CG 4.37Å; F215-Q252 HydrophobicContact CZ-CG 4.48Å; F215-I254 HydrophobicContact CD2-CD1 4.35Å; F215-I254 HydrophobicContact CE2-CD1 3.8Å; F215-I259 HydrophobicContact CE2-CD1 3.76Å; F215-I259 HydrophobicContact CZ-CD1 3.58Å; F215-V261 HydrophobicContact CE1-CG2 4.19Å; F215-V261 HydrophobicContact CZ-CG2 4.15Å
216S88.2Confident87.2Confident65 Ų6563.8 Ų63.846%0.45532%0.32SS..THydrogen-bonded Turntrans-63.1-16.1173.1-168.40000113.3R212 Q213 H214 Y218 G219R212-S216 WeakPolarHBondContact O-CB 3.36Å; R212-S216 PolarHBondContact O-N 3.32Å; Q213-S216 PolarHBondContact O-N 3.22Å; H214-S216 VanDerWaalsContact C-N 3.32Å; H214-S216 PolarHBondContact O-N 3.42Å; S216-Y218 VanDerWaalsContact C-N 3.31Å; S216-G219 WeakPolarHBondContact CA-O 3.42Å
217Q87.5Confident87.2Confident120 Ų12064.4 Ų64.456%0.56132%0.324SS*.THydrogen-bonded Turntrans-72.7-23.2175.182.4-165.1-18.200113.2H214 F215H214-Q217 PolarHBondContact NE2-NE2 2.95Å; H214-Q217 WeakPolarHBondContact O-CG 3.2Å; H214-Q217 PolarHBondContact O-N 3.45Å; H214-Q217 PolarHBondContact O-NE2 3.05Å; F215-Q217 PolarHBondContact O-N 3.42Å; F215-Q217 VanDerWaalsContact O-N 3.15Å
218Y85.4Confident87.1Confident89 Ų8971.3 Ų71.335%0.34935%0.347SS..THydrogen-bonded Turntrans-93.9-26-179.2-64.3-68.8000112.8F215 S216 V243 L247 Q252F215-Y218 HydrophobicContact CD1-CD2 4.19Å; F215-Y218 PolarHBondContact O-N 3.45Å; F215-Y218 VanDerWaalsContact O-N 3.11Å; S216-Y218 VanDerWaalsContact C-N 3.31Å; Y218-V243 WeakPolarHBondContact O-CG1 3.46Å; Y218-V243 WeakPolarHBondContact O-CG2 3.49Å; Y218-L247 HydrophobicContact CD1-CD2 3.97Å; Y218-L247 HydrophobicContact CD2-CD1 4.28Å; Y218-L247 HydrophobicContact CD2-CD2 3.61Å; Y218-L247 HydrophobicContact CE1-CD2 4.18Å; Y218-L247 HydrophobicContact CE2-CD2 3.78Å; Y218-L247 HydrophobicContact CG-CD1 4.35Å; Y218-L247 HydrophobicContact CG-CD2 3.7Å; Y218-L247 HydrophobicContact CG-CG 4.44Å; Y218-Q252 PolarHBondContact OH-NE2 3.1Å; Y218-Q252 PolarHBondContact OH-OE1 3.05Å
219G85Confident86.9Confident17 Ų1772.5 Ų72.518%0.17536%0.355CS..SBendtrans173176.9179.700000111.4S216 V221S216-G219 WeakPolarHBondContact CA-O 3.42Å; G219-V221 PolarHBondContact O-N 3.28Å
220R86.7Confident86.8Confident177 Ų17770 Ų7067%0.66834%0.342SS*.  trans-70.9119.8-178.5-175178.1-75.9-176.7-4110.6F238 D239R220-F238 WeakPolarHBondContact O-CA 3.47Å; R220-D239 HydrophobicContact CB-CB 4.02Å; R220-D239 HydrophobicContact CG-CB 4.38Å; R220-D239 PolarHBondContact O-N 3.47Å
221V89.2Confident86.5Confident2 Ų276.6 Ų76.61%0.01236%0.364CS..EExtended strand (participates in β ladder)trans-88.2115.6175.9179.90000110R212 F215 G219 V224 I236 F238R212-V221 HydrophobicContact CG-CB 4.3Å; R212-V221 HydrophobicContact CG-CG1 4.27Å; R212-V221 PolarHBondContact NH2-O 3.46Å; F215-V221 HydrophobicContact CB-CG2 3.87Å; G219-V221 PolarHBondContact O-N 3.28Å; V221-V224 HydrophobicContact CG1-CG2 3.59Å; V221-I236 HydrophobicContact CG1-CG2 3.67Å; V221-I236 HydrophobicContact CG2-CG2 4.18Å; V221-F238 HydrophobicContact CG2-CD1 4.13Å; V221-F238 HydrophobicContact CG2-CE1 3.75Å
222C84.6Confident86.4Confident69 Ų6979.5 Ų79.547%0.46638%0.384SS..EExtended strand (participates in β ladder)trans-78.4-43.5176.9-62.90000112.4T237 D239C222-T237 WeakPolarHBondContact CB-O 3.49Å; C222-T237 PolarHBondContact N-O 3.15Å; C222-D239 WeakPolarHBondContact SG-CA 3.28Å; C222-D239 PolarHBondContact SG-N 2.96Å; C222-D239 VanDerWaalsContact SG-N 3.4Å
223D83.8Confident86.4Confident81 Ų8176 Ų7643%0.43337%0.372SS..EExtended strand (participates in β ladder)trans-150.1145.8-173.4-178.136.7000111.8I236 T237D223-I236 CarbonylContact O-C 3.54Å; D223-I236 WeakPolarHBondContact O-CA 3.32Å; D223-T237 PolarHBondContact N-O 3.2Å; D223-T237 PolarHBondContact O-N 3.09Å
224V88.9Confident86.4Confident26 Ų2669 Ų6916%0.15834%0.339CS..EExtended strand (participates in β ladder)trans-131.5115.2175.1-179.10000108.4P208 L211 R212 V221 F235 I236P208-V224 HydrophobicContact CB-CB 4.49Å; P208-V224 HydrophobicContact CB-CG1 3.88Å; L211-V224 HydrophobicContact CB-CG1 4.09Å; L211-V224 HydrophobicContact CD1-CG1 4.08Å; R212-V224 HydrophobicContact CB-CG2 4.03Å; R212-V224 HydrophobicContact CG-CG2 4.38Å; V221-V224 HydrophobicContact CG1-CG2 3.59Å; V224-F235 WeakPolarHBondContact CA-O 3.34Å; V224-I236 HydrophobicContact CG1-CG1 4.32Å; V224-I236 HydrophobicContact CG2-CG1 4.34Å; V224-I236 HydrophobicContact CG2-CG2 4.46Å
225F87.3Confident86.4Confident102 Ų10268 Ų6845%0.44734%0.335SS..EExtended strand (participates in β ladder)trans-117.6116.2-177.3-179.8-109.6000111.4P227 A234 F235F225-P227 HydrophobicContact CD1-CG 4.09Å; F225-P227 HydrophobicContact CE1-CB 4.17Å; F225-P227 HydrophobicContact CE1-CG 3.66Å; F225-P227 HydrophobicContact CZ-CB 4.48Å; F225-P227 HydrophobicContact CZ-CG 4.42Å; F225-A234 CarbonylContact O-C 3.5Å; F225-A234 WeakPolarHBondContact O-CA 3.41Å; F225-F235 AromaticContact CD1-CD2 3.89Å; F225-F235 HydrophobicContact CD1-CD2 3.89Å; F225-F235 PolarHBondContact N-O 3.37Å; F225-F235 PolarHBondContact O-N 3.32Å
226I88Confident86.5Confident35 Ų3568 Ų6818%0.17934%0.335CS..  trans-108.7109.2172.6-50.1-176.2000108.2L202 P208 L211 F230 A234L202-I226 HydrophobicContact CD2-CD1 4.17Å; P208-I226 HydrophobicContact CB-CD1 3.82Å; P208-I226 HydrophobicContact CB-CG1 4.26Å; P208-I226 HydrophobicContact CG-CD1 4.31Å; L211-I226 HydrophobicContact CD1-CD1 3.98Å; L211-I226 HydrophobicContact CD1-CG1 4.31Å; I226-F230 HydrophobicContact CG2-CD2 4.07Å; I226-F230 HydrophobicContact CG2-CE2 4.24Å; I226-A234 HydrophobicContact CG1-CB 3.83Å
227P83.3Confident86.3Confident18 Ų1866.4 Ų66.412%0.11732%0.322CS..  trans-60.6141177-18.929000112.2F225 P229 F233 F235F225-P227 HydrophobicContact CD1-CG 4.09Å; F225-P227 HydrophobicContact CE1-CB 4.17Å; F225-P227 HydrophobicContact CE1-CG 3.66Å; F225-P227 HydrophobicContact CZ-CB 4.48Å; F225-P227 HydrophobicContact CZ-CG 4.42Å; P227-P229 CarbonylContact O-C 3.55Å; P227-F233 HydrophobicContact CB-CE2 4.48Å; P227-F233 WeakPolarHBondContact CD-O 3.45Å; P227-F233 HydrophobicContact CG-CD2 4.13Å; P227-F233 HydrophobicContact CG-CE2 3.53Å; P227-F233 HydrophobicContact CG-CZ 4.05Å; P227-F235 HydrophobicContact CG-CD2 4.45Å; P227-F235 HydrophobicContact CG-CE2 4.22Å
228K84Confident86.3Confident202 Ų20260.8 Ų60.888%0.87830%0.296SS*.SBendtrans-110137.8169.9-63.4-175.3-178.9-178.50109.6
229P82.5Confident86.2Confident91 Ų9159.6 Ų59.659%0.59130%0.295SS*.SBendcis-63153.2-2.429.2-35.9000111.5P227 R231P227-P229 CarbonylContact O-C 3.55Å; P229-R231 WeakPolarHBondContact O-CG 3.41Å; P229-R231 PolarHBondContact O-N 3.23Å
230F85.5Confident85.9Confident66 Ų6662.8 Ų62.829%0.28931%0.309SS..  trans-57.8127.8-177.8-175.6-100.8000110.3L202 T203 E204 I226L202-F230 HydrophobicContact CB-CE2 4.47Å; L202-F230 HydrophobicContact CB-CZ 4.06Å; L202-F230 HydrophobicContact CD2-CE2 3.95Å; L202-F230 HydrophobicContact CD2-CZ 4.33Å; L202-F230 HydrophobicContact CG-CE2 4.31Å; L202-F230 HydrophobicContact CG-CZ 4.21Å; L202-F230 WeakPolarHBondContact O-CE1 3.43Å; L202-F230 WeakPolarHBondContact O-CZ 3.45Å; T203-F230 VanDerWaalsContact O-CZ 3.27Å; T203-F230 WeakPolarHBondContact O-CZ 3Å; E204-F230 HydrophobicContact CB-CD1 3.95Å; E204-F230 HydrophobicContact CB-CE1 3.96Å; E204-F230 HydrophobicContact CB-CG 4.27Å; E204-F230 HydrophobicContact CB-CZ 4.28Å; E204-F230 HydrophobicContact CG-CD1 4.4Å; E204-F230 HydrophobicContact CG-CG 4.28Å; E204-F230 VanDerWaalsContact N-CZ 3.33Å; I226-F230 HydrophobicContact CG2-CD2 4.07Å; I226-F230 HydrophobicContact CG2-CE2 4.24Å
231R82.5Confident85.6Confident152 Ų15256.8 Ų56.857%0.57429%0.292SS*.  trans-123.623.5-176.7-72.5179.7-172.7-165.92113.2P229 F233P229-R231 WeakPolarHBondContact O-CG 3.41Å; P229-R231 PolarHBondContact O-N 3.23Å; R231-F233 HydrophobicContact CB-CD1 3.58Å; R231-F233 HydrophobicContact CB-CE1 3.23Å; R231-F233 HydrophobicContact CB-CZ 4.12Å; R231-F233 HydrophobicContact CG-CE1 4.14Å; R231-F233 WeakPolarHBondContact O-CD1 3.48Å; R231-F233 PolarHBondContact O-N 3.23Å
232S87.2Confident85.2Confident62 Ų6264.1 Ų64.143%0.43433%0.327SS..SBendtrans58.723-176.170.30000114.9G200 R201 L202G200-S232 CarbonylContact C-O 3.47Å; R201-S232 PolarHBondContact N-O 2.88Å; L202-S232 PolarHBondContact N-O 2.8Å; L202-S232 VanDerWaalsContact O-CA 3.26Å; L202-S232 WeakPolarHBondContact O-CA 3.43Å; L202-S232 VanDerWaalsContact O-CB 3.27Å; L202-S232 WeakPolarHBondContact O-CB 3.47Å
233F88.7Confident85.2Confident34 Ų3462 Ų6215%0.14931%0.311CS..EExtended strand (participates in β ladder)trans-142153.7172.570.1-93.7000112.9H198 I199 P227 R231 F235H198-F233 AromaticContact CD2-CD2 3.97Å; H198-F233 VanDerWaalsContact NE2-CB 3.33Å; H198-F233 WeakPolarHBondContact NE2-CB 3.26Å; H198-F233 AromaticContact NE2-CD2 3.8Å; H198-F233 AromaticContact NE2-CG 3.63Å; I199-F233 CarbonylContact O-C 3.51Å; I199-F233 WeakPolarHBondContact O-CA 3.34Å; I199-F233 VanDerWaalsContact O-CB 3.26Å; I199-F233 WeakPolarHBondContact O-CB 3.49Å; P227-F233 HydrophobicContact CB-CE2 4.48Å; P227-F233 WeakPolarHBondContact CD-O 3.45Å; P227-F233 HydrophobicContact CG-CD2 4.13Å; P227-F233 HydrophobicContact CG-CE2 3.53Å; P227-F233 HydrophobicContact CG-CZ 4.05Å; R231-F233 HydrophobicContact CB-CD1 3.58Å; R231-F233 HydrophobicContact CB-CE1 3.23Å; R231-F233 HydrophobicContact CB-CZ 4.12Å; R231-F233 HydrophobicContact CG-CE1 4.14Å; R231-F233 WeakPolarHBondContact O-CD1 3.48Å; R231-F233 PolarHBondContact O-N 3.23Å; F233-F235 HydrophobicContact CD2-CD2 4.45Å; F233-F235 AromaticContact CD2-CE2 3.86Å; F233-F235 HydrophobicContact CD2-CE2 3.86Å; F233-F235 HydrophobicContact CD2-CZ 4.15Å; F233-F235 HydrophobicContact CE2-CD2 4.48Å; F233-F235 AromaticContact CE2-CE2 3.58Å; F233-F235 HydrophobicContact CE2-CE2 3.58Å; F233-F235 AromaticContact CE2-CZ 3.92Å; F233-F235 HydrophobicContact CE2-CZ 3.92Å
234A89Confident85.1Confident0 Ų058.2 Ų58.20%029%0.291CS..EExtended strand (participates in β ladder)trans-135.7170174.700000109.9I199 L202 L211 F225 I226I199-A234 HydrophobicContact CB-CB 4.31Å; I199-A234 PolarHBondContact N-O 3.35Å; I199-A234 PolarHBondContact O-N 3.14Å; L202-A234 HydrophobicContact CD2-CB 3.87Å; L211-A234 HydrophobicContact CD1-CB 3.75Å; F225-A234 CarbonylContact O-C 3.5Å; F225-A234 WeakPolarHBondContact O-CA 3.41Å; I226-A234 HydrophobicContact CG1-CB 3.83Å
235F89.2Confident84.8Confident21 Ų2158.9 Ų58.99%0.09230%0.3CS..EExtended strand (participates in β ladder)trans-126.5141.3169.8-59.7-89.4000110.3K196 V197 H198 V224 F225 P227 F233 A264K196-F235 HydrophobicContact CD-CB 4.24Å; K196-F235 HydrophobicContact CD-CD1 4.48Å; K196-F235 HydrophobicContact CG-CB 4.06Å; K196-F235 HydrophobicContact CG-CD1 4.35Å; V197-F235 VanDerWaalsContact O-CA 3.26Å; V197-F235 WeakPolarHBondContact O-CA 3.47Å; H198-F235 HydrophobicContact CB-CD1 4.13Å; H198-F235 HydrophobicContact CB-CE1 4.05Å; H198-F235 AromaticContact CD2-CE1 3.8Å; V224-F235 WeakPolarHBondContact CA-O 3.34Å; F225-F235 AromaticContact CD1-CD2 3.89Å; F225-F235 HydrophobicContact CD1-CD2 3.89Å; F225-F235 PolarHBondContact N-O 3.37Å; F225-F235 PolarHBondContact O-N 3.32Å; P227-F235 HydrophobicContact CG-CD2 4.45Å; P227-F235 HydrophobicContact CG-CE2 4.22Å; F233-F235 HydrophobicContact CD2-CD2 4.45Å; F233-F235 AromaticContact CD2-CE2 3.86Å; F233-F235 HydrophobicContact CD2-CE2 3.86Å; F233-F235 HydrophobicContact CD2-CZ 4.15Å; F233-F235 HydrophobicContact CE2-CD2 4.48Å; F233-F235 AromaticContact CE2-CE2 3.58Å; F233-F235 HydrophobicContact CE2-CE2 3.58Å; F233-F235 AromaticContact CE2-CZ 3.92Å; F233-F235 HydrophobicContact CE2-CZ 3.92Å; F235-A264 HydrophobicContact CD1-CB 3.89Å; F235-A264 HydrophobicContact CE1-CB 4.13Å
236I89.2Confident84.6Confident0 Ų057.1 Ų57.10%030%0.3CS..EExtended strand (participates in β ladder)trans-125.8129.7178.9-60.1-179.5000107.8K196 V197 I199 L211 F215 V221 D223 V224 F238K196-I236 CarbonylContact C-O 3.41Å; K196-I236 VanDerWaalsContact CA-O 3.23Å; K196-I236 WeakPolarHBondContact CA-O 3.42Å; V197-I236 HydrophobicContact CG2-CB 3.8Å; V197-I236 WeakPolarHBondContact CG2-O 3.46Å; V197-I236 PolarHBondContact N-O 2.84Å; V197-I236 PolarHBondContact O-N 2.86Å; I199-I236 HydrophobicContact CD1-CD1 4.08Å; I199-I236 HydrophobicContact CG1-CD1 3.65Å; I199-I236 HydrophobicContact CG1-CG1 3.85Å; L211-I236 HydrophobicContact CB-CD1 4.14Å; L211-I236 HydrophobicContact CD2-CD1 4.31Å; F215-I236 HydrophobicContact CB-CD1 4.14Å; F215-I236 HydrophobicContact CB-CG2 4.48Å; F215-I236 HydrophobicContact CD1-CD1 4.33Å; F215-I236 HydrophobicContact CD2-CD1 3.01Å; F215-I236 HydrophobicContact CE2-CD1 3.33Å; F215-I236 HydrophobicContact CG-CD1 3.57Å; F215-I236 HydrophobicContact CZ-CD1 4.12Å; V221-I236 HydrophobicContact CG1-CG2 3.67Å; V221-I236 HydrophobicContact CG2-CG2 4.18Å; D223-I236 CarbonylContact O-C 3.54Å; D223-I236 WeakPolarHBondContact O-CA 3.32Å; V224-I236 HydrophobicContact CG1-CG1 4.32Å; V224-I236 HydrophobicContact CG2-CG1 4.34Å; V224-I236 HydrophobicContact CG2-CG2 4.46Å; I236-F238 HydrophobicContact CB-CE2 4.49Å; I236-F238 HydrophobicContact CG2-CD2 4.37Å; I236-F238 HydrophobicContact CG2-CE1 4.44Å; I236-F238 HydrophobicContact CG2-CE2 3.9Å; I236-F238 HydrophobicContact CG2-CZ 3.92Å
237T85.4Confident84.5Confident31 Ų3155.5 Ų55.519%0.1929%0.292CS..EExtended strand (participates in β ladder)trans-105.7118.1176.3-48.30000108.8R195 C222 D223R195-T237 HydrophobicContact CB-CG2 4.19Å; R195-T237 CarbonylContact O-C 3.55Å; R195-T237 WeakPolarHBondContact O-CA 3.27Å; C222-T237 WeakPolarHBondContact CB-O 3.49Å; C222-T237 PolarHBondContact N-O 3.15Å; D223-T237 PolarHBondContact N-O 3.2Å; D223-T237 PolarHBondContact O-N 3.09Å
238F87.7Confident84.4Confident1 Ų157.7 Ų57.70%0.00430%0.302CS..EExtended strand (participates in β ladder)trans-88155.2173-68.6-80.6000111.5R195 V197 F215 R220 V221 I236 V243 A244 L247R195-F238 VanDerWaalsContact CB-O 3.31Å; R195-F238 WeakPolarHBondContact CB-O 3.41Å; R195-F238 WeakPolarHBondContact CD-O 3.29Å; R195-F238 PolarHBondContact O-N 2.9Å; V197-F238 HydrophobicContact CG1-CD2 4.35Å; V197-F238 HydrophobicContact CG1-CE2 4.17Å; V197-F238 HydrophobicContact CG2-CD2 4.33Å; V197-F238 HydrophobicContact CG2-CE2 3.68Å; F215-F238 HydrophobicContact CB-CE1 4.1Å; F215-F238 HydrophobicContact CB-CZ 3.87Å; F215-F238 AromaticContact CD1-CZ 3.77Å; F215-F238 HydrophobicContact CD1-CZ 3.77Å; F215-F238 HydrophobicContact CG-CZ 4.14Å; R220-F238 WeakPolarHBondContact O-CA 3.47Å; V221-F238 HydrophobicContact CG2-CD1 4.13Å; V221-F238 HydrophobicContact CG2-CE1 3.75Å; I236-F238 HydrophobicContact CB-CE2 4.49Å; I236-F238 HydrophobicContact CG2-CD2 4.37Å; I236-F238 HydrophobicContact CG2-CE1 4.44Å; I236-F238 HydrophobicContact CG2-CE2 3.9Å; I236-F238 HydrophobicContact CG2-CZ 3.92Å; F238-V243 HydrophobicContact CD1-CB 4.4Å; F238-V243 HydrophobicContact CD1-CG1 3.69Å; F238-V243 HydrophobicContact CE1-CG1 3.84Å; F238-V243 HydrophobicContact CG-CB 4.46Å; F238-V243 HydrophobicContact CG-CG1 4.1Å; F238-V243 HydrophobicContact CZ-CG1 4.38Å; F238-A244 HydrophobicContact CD2-CB 3.91Å; F238-L247 HydrophobicContact CD2-CD1 4.49Å; F238-L247 HydrophobicContact CE1-CD1 4.06Å; F238-L247 HydrophobicContact CE2-CD1 3.5Å; F238-L247 VanDerWaalsContact CE2-CD1 3.5Å; F238-L247 HydrophobicContact CZ-CD1 3.23Å
239D82.6Confident84Confident65 Ų6551.4 Ų51.435%0.34830%0.295SS..SBendtrans-67.7-43.4169.9-156.916.6000110.1R195 R220 C222R195-D239 WeakPolarHBondContact CD-O 3.24Å; R220-D239 HydrophobicContact CB-CB 4.02Å; R220-D239 HydrophobicContact CG-CB 4.38Å; R220-D239 PolarHBondContact O-N 3.47Å; C222-D239 WeakPolarHBondContact SG-CA 3.28Å; C222-D239 PolarHBondContact SG-N 2.96Å; C222-D239 VanDerWaalsContact SG-N 3.4Å
240D78.7Confident83.8Confident84 Ų8451.5 Ų51.545%0.44929%0.286SS..  trans-96.9125.5-178.5-65.4-50.2000112.6E242 V243 A244D240-E242 VanDerWaalsContact C-N 3.27Å; D240-E242 PolarHBondContact O-N 3.27Å; D240-V243 HydrophobicContact CB-CB 4.26Å; D240-V243 HydrophobicContact CB-CG2 3.77Å; D240-V243 PolarHBondContact O-N 2.9Å; D240-A244 PolarHBondContact O-N 3.04Å
241P80.9Confident83.5Confident51 Ų5154.5 Ų54.533%0.33131%0.305SS..Hα-helixtrans-67.6-27.8176.727.3-33.4000112.5V193 R195 A244 A245V193-P241 HydrophobicContact CB-CB 4.22Å; V193-P241 HydrophobicContact CG1-CB 4.03Å; V193-P241 WeakPolarHBondContact CG1-O 3.12Å; R195-P241 HydrophobicContact CG-CB 3.94Å; P241-A244 PolarHBondContact O-N 2.91Å; P241-A245 WeakPolarHBondContact O-CB 3.46Å; P241-A245 PolarHBondContact O-N 3.15Å
242E79.5Confident83.6Confident156 Ų15648.1 Ų48.173%0.72928%0.282SS*.Hα-helixtrans-68.7-34.9178.8-61.9-167.5172.100111.8D240 A245 S246D240-E242 VanDerWaalsContact C-N 3.27Å; D240-E242 PolarHBondContact O-N 3.27Å; E242-A245 PolarHBondContact O-N 3.48Å; E242-S246 WeakPolarHBondContact O-CB 3.27Å; E242-S246 PolarHBondContact O-N 3.3Å
243V84.7Confident83.4Confident24 Ų2450.2 Ų50.215%0.14529%0.285CS..Hα-helixtrans-65.5-46.5174.3176.70000110.2Y218 F238 D240 A245 S246 L247Y218-V243 WeakPolarHBondContact O-CG1 3.46Å; Y218-V243 WeakPolarHBondContact O-CG2 3.49Å; F238-V243 HydrophobicContact CD1-CB 4.4Å; F238-V243 HydrophobicContact CD1-CG1 3.69Å; F238-V243 HydrophobicContact CE1-CG1 3.84Å; F238-V243 HydrophobicContact CG-CB 4.46Å; F238-V243 HydrophobicContact CG-CG1 4.1Å; F238-V243 HydrophobicContact CZ-CG1 4.38Å; D240-V243 HydrophobicContact CB-CB 4.26Å; D240-V243 HydrophobicContact CB-CG2 3.77Å; D240-V243 PolarHBondContact O-N 2.9Å; V243-A245 VanDerWaalsContact C-N 3.31Å; V243-A245 PolarHBondContact O-N 3.12Å; V243-S246 PolarHBondContact O-N 2.88Å; V243-L247 HydrophobicContact CG1-CD1 4.12Å; V243-L247 WeakPolarHBondContact O-CG 3.43Å; V243-L247 PolarHBondContact O-N 3.45Å; V243-L247 VanDerWaalsContact O-N 3.16Å
244A83Confident83.1Confident1 Ų148.9 Ų48.91%0.00828%0.279CS..Hα-helixtrans-56.8-45.7175.300000111.4S194 V197 F238 D240 P241 L247 L248S194-A244 WeakPolarHBondContact O-CB 3.44Å; V197-A244 HydrophobicContact CG1-CB 3.69Å; F238-A244 HydrophobicContact CD2-CB 3.91Å; D240-A244 PolarHBondContact O-N 3.04Å; P241-A244 PolarHBondContact O-N 2.91Å; A244-L247 PolarHBondContact O-N 3.3Å; A244-L248 WeakPolarHBondContact O-CG 3.23Å; A244-L248 PolarHBondContact O-N 2.99Å
245A81.7Confident82.6Confident41 Ų4155.6 Ų55.634%0.33931%0.31SS..Hα-helixtrans-64-42.6178.200000113.1V193 P241 E242 V243 L247 L248V193-A245 HydrophobicContact CG1-CB 3.72Å; P241-A245 WeakPolarHBondContact O-CB 3.46Å; P241-A245 PolarHBondContact O-N 3.15Å; E242-A245 PolarHBondContact O-N 3.48Å; V243-A245 VanDerWaalsContact C-N 3.31Å; V243-A245 PolarHBondContact O-N 3.12Å; A245-L247 PolarHBondContact O-N 2.88Å; A245-L248 WeakPolarHBondContact O-CB 3.41Å; A245-L248 PolarHBondContact O-N 3.44Å; A245-L248 VanDerWaalsContact O-N 3.13Å
246S83.9Confident82.2Confident65 Ų6557.3 Ų57.346%0.45533%0.334SS..Hα-helixtrans-65-23.6179-175.80000112.8E242 V243 K250E242-S246 WeakPolarHBondContact O-CB 3.27Å; E242-S246 PolarHBondContact O-N 3.3Å; V243-S246 PolarHBondContact O-N 2.88Å; S246-K250 WeakPolarHBondContact O-CD 3.44Å; S246-K250 WeakPolarHBondContact O-CE 3.49Å; S246-K250 PolarHBondContact O-NZ 3.35Å; S246-K250 PolarHBondContact OG-NZ 3.39Å
247L84.8Confident82Confident1 Ų159 Ų591%0.00534%0.344CS..Hα-helixtrans-85.7-17.7176.6-68.3169000113.2F215 Y218 F238 V243 A244 A245 G249 K250 V261F215-L247 HydrophobicContact CD1-CD1 3.9Å; F215-L247 HydrophobicContact CE1-CD1 4.17Å; Y218-L247 HydrophobicContact CD1-CD2 3.97Å; Y218-L247 HydrophobicContact CD2-CD1 4.28Å; Y218-L247 HydrophobicContact CD2-CD2 3.61Å; Y218-L247 HydrophobicContact CE1-CD2 4.18Å; Y218-L247 HydrophobicContact CE2-CD2 3.78Å; Y218-L247 HydrophobicContact CG-CD1 4.35Å; Y218-L247 HydrophobicContact CG-CD2 3.7Å; Y218-L247 HydrophobicContact CG-CG 4.44Å; F238-L247 HydrophobicContact CD2-CD1 4.49Å; F238-L247 HydrophobicContact CE1-CD1 4.06Å; F238-L247 HydrophobicContact CE2-CD1 3.5Å; F238-L247 VanDerWaalsContact CE2-CD1 3.5Å; F238-L247 HydrophobicContact CZ-CD1 3.23Å; V243-L247 HydrophobicContact CG1-CD1 4.12Å; V243-L247 WeakPolarHBondContact O-CG 3.43Å; V243-L247 PolarHBondContact O-N 3.45Å; V243-L247 VanDerWaalsContact O-N 3.16Å; A244-L247 PolarHBondContact O-N 3.3Å; A245-L247 PolarHBondContact O-N 2.88Å; L247-G249 PolarHBondContact O-N 3.08Å; L247-K250 PolarHBondContact O-N 3.26Å; L247-V261 HydrophobicContact CB-CG1 3.99Å; L247-V261 VanDerWaalsContact O-CB 3.29Å; L247-V261 WeakPolarHBondContact O-CB 3.34Å; L247-V261 WeakPolarHBondContact O-CG1 3.16Å
248L82.2Confident82.1Confident63 Ų6366.3 Ų66.333%0.3337%0.368SS..THydrogen-bonded Turntrans-62.7125.4178.4-61.4178.4000110.7V197 A244 A245 K250 G262V197-L248 HydrophobicContact CG1-CD2 4.27Å; A244-L248 WeakPolarHBondContact O-CG 3.23Å; A244-L248 PolarHBondContact O-N 2.99Å; A245-L248 WeakPolarHBondContact O-CB 3.41Å; A245-L248 PolarHBondContact O-N 3.44Å; A245-L248 VanDerWaalsContact O-N 3.13Å; L248-K250 VanDerWaalsContact C-N 3.27Å; L248-K250 PolarHBondContact O-N 3.07Å; L248-G262 VanDerWaalsContact CD2-C 3.4Å; L248-G262 WeakPolarHBondContact CD2-O 3.4Å
249G76Confident82.1Confident71 Ų7166.3 Ų66.373%0.73237%0.368SS*.THydrogen-bonded Turntrans800.9178.900000115.1L247 V261L247-G249 PolarHBondContact O-N 3.08Å; G249-V261 PolarHBondContact N-O 2.86Å; G249-V261 VanDerWaalsContact N-O 3.12Å
250K78.1Confident82.3Confident93 Ų9365.4 Ų65.440%0.40437%0.367SS..  trans-87.4127.2168.6-68.9-178.1-178.5154.70109.7S246 L247 L248S246-K250 WeakPolarHBondContact O-CD 3.44Å; S246-K250 WeakPolarHBondContact O-CE 3.49Å; S246-K250 PolarHBondContact O-NZ 3.35Å; S246-K250 PolarHBondContact OG-NZ 3.39Å; L247-K250 PolarHBondContact O-N 3.26Å; L248-K250 VanDerWaalsContact C-N 3.27Å; L248-K250 PolarHBondContact O-N 3.07Å
251D79.3Confident82.7Confident129 Ų12961.6 Ų61.669%0.6935%0.347SS*.EExtended strand (participates in β ladder)trans-71.8132.8167-71.1-38.9000108.8
252Q83.1Confident82.8Confident17 Ų1760.2 Ų60.28%0.07934%0.342CS..EExtended strand (participates in β ladder)trans-119.8146.5180-66-66.2-15.900108.8F215 Y218 R258 I259 V261F215-Q252 HydrophobicContact CE1-CG 4.37Å; F215-Q252 HydrophobicContact CZ-CG 4.48Å; Y218-Q252 PolarHBondContact OH-NE2 3.1Å; Y218-Q252 PolarHBondContact OH-OE1 3.05Å; Q252-R258 CarbonylContact O-C 3.59Å; Q252-I259 HydrophobicContact CB-CD1 3.67Å; Q252-I259 HydrophobicContact CB-CG1 3.59Å; Q252-I259 PolarHBondContact N-O 3.48Å; Q252-I259 VanDerWaalsContact N-O 3.15Å; Q252-I259 WeakPolarHBondContact O-CG1 3.5Å; Q252-I259 PolarHBondContact O-N 2.79Å; Q252-V261 HydrophobicContact CB-CG2 4.41Å; Q252-V261 HydrophobicContact CG-CG2 3.79Å
253E84.2Confident82.8Confident107 Ų10754.9 Ų54.950%0.532%0.322SS..EExtended strand (participates in β ladder)trans-122.2119178.1-166.4175130.700109.7H214 V257 R258H214-E253 PolarHBondContact CE1-O 3.41Å; H214-E253 VanDerWaalsContact CE1-O 3.26Å; E253-V257 WeakPolarHBondContact CA-O 3.32Å; E253-R258 HydrophobicContact CG-CG 4.46Å; E253-R258 IonicContact OE2-NE 3.75Å
254I82.4Confident82.2Confident6 Ų654 Ų543%0.03132%0.318CS..EExtended strand (participates in β ladder)trans-121.5120.2-179.7-57.1-174.7000107.6I206 L211 H214 F215 G256 V257 I259I206-I254 HydrophobicContact CD1-CB 4.5Å; I206-I254 HydrophobicContact CG2-CG2 4.3Å; L211-I254 HydrophobicContact CD2-CD1 3.68Å; H214-I254 HydrophobicContact CB-CD1 3.77Å; H214-I254 HydrophobicContact CB-CG1 4.13Å; F215-I254 HydrophobicContact CD2-CD1 4.35Å; F215-I254 HydrophobicContact CE2-CD1 3.8Å; I254-G256 PolarHBondContact O-N 3.22Å; I254-V257 PolarHBondContact N-O 3.37Å; I254-V257 WeakPolarHBondContact O-CB 3.32Å; I254-V257 PolarHBondContact O-N 3.1Å; I254-I259 HydrophobicContact CD1-CD1 3.42Å; I254-I259 VanDerWaalsContact CD1-CD1 3.42Å; I254-I259 HydrophobicContact CD1-CG1 4.31Å; I254-I259 HydrophobicContact CG1-CD1 3.82Å; I254-I259 HydrophobicContact CG1-CG1 4.22Å
255Q78.5Confident81.6Confident140 Ų14059.4 Ų59.465%0.65435%0.35SS*.THydrogen-bonded Turntrans53.836.1179.1-61.9177.6-34.700113.6V257Q255-V257 VanDerWaalsContact C-N 3.28Å; Q255-V257 PolarHBondContact O-N 3.18Å
256G81.3Confident80.6Confident58 Ų5862.4 Ų62.460%0.59837%0.366SS*.THydrogen-bonded Turntrans811.2-177.800000114.8I254I254-G256 PolarHBondContact O-N 3.22Å
257V84.4Confident79.3Confident34 Ų3467 Ų6721%0.20638%0.378CS..EExtended strand (participates in β ladder)trans-101.3123.2178.5-178.20000109.8T203 I206 E253 I254 Q255 I259T203-V257 HydrophobicContact CG2-CG1 3.78Å; T203-V257 HydrophobicContact CG2-CG2 4.05Å; I206-V257 HydrophobicContact CD1-CB 3.94Å; I206-V257 HydrophobicContact CD1-CG1 4.13Å; I206-V257 HydrophobicContact CD1-CG2 4.2Å; E253-V257 WeakPolarHBondContact CA-O 3.32Å; I254-V257 PolarHBondContact N-O 3.37Å; I254-V257 WeakPolarHBondContact O-CB 3.32Å; I254-V257 PolarHBondContact O-N 3.1Å; Q255-V257 VanDerWaalsContact C-N 3.28Å; Q255-V257 PolarHBondContact O-N 3.18Å; V257-I259 HydrophobicContact CG1-CG2 4.33Å; V257-I259 PolarHBondContact O-N 3.42Å
258R86.3Confident77.7Confident185 Ų18574.2 Ų74.270%0.69842%0.416SS*.EExtended strand (participates in β ladder)trans-77.3109.6174.4-67.1-175.7179.41790.9110.8Q252 E253Q252-R258 CarbonylContact O-C 3.59Å; E253-R258 HydrophobicContact CG-CG 4.46Å; E253-R258 IonicContact OE2-NE 3.75Å
259I89.6Confident76Confident1 Ų175.9 Ų75.91%0.00543%0.43CS..EExtended strand (participates in β ladder)trans-100.1150.3176.458.2153.1000110.6I199 G200 L202 I206 F215 Q252 I254 V257I199-I259 HydrophobicContact CG2-CB 4.05Å; I199-I259 HydrophobicContact CG2-CD1 3.7Å; I199-I259 HydrophobicContact CG2-CG1 4.47Å; I199-I259 HydrophobicContact CG2-CG2 4.48Å; G200-I259 WeakPolarHBondContact O-CA 3.12Å; L202-I259 HydrophobicContact CD1-CG2 4.07Å; I206-I259 HydrophobicContact CD1-CG2 4.45Å; F215-I259 HydrophobicContact CE2-CD1 3.76Å; F215-I259 HydrophobicContact CZ-CD1 3.58Å; Q252-I259 HydrophobicContact CB-CD1 3.67Å; Q252-I259 HydrophobicContact CB-CG1 3.59Å; Q252-I259 PolarHBondContact N-O 3.48Å; Q252-I259 VanDerWaalsContact N-O 3.15Å; Q252-I259 WeakPolarHBondContact O-CG1 3.5Å; Q252-I259 PolarHBondContact O-N 2.79Å; I254-I259 HydrophobicContact CD1-CD1 3.42Å; I254-I259 VanDerWaalsContact CD1-CD1 3.42Å; I254-I259 HydrophobicContact CD1-CG1 4.31Å; I254-I259 HydrophobicContact CG1-CD1 3.82Å; I254-I259 HydrophobicContact CG1-CG1 4.22Å; V257-I259 HydrophobicContact CG1-CG2 4.33Å; V257-I259 PolarHBondContact O-N 3.42Å
260S84.9Confident74.4Confident46 Ų4678.9 Ų78.932%0.32244%0.437SS..EExtended strand (participates in β ladder)trans-108.9128-179.5-179.70000110.3I199 G200I199-S260 CarbonylContact C-O 3.54Å; I199-S260 WeakPolarHBondContact CA-O 3.45Å; G200-S260 PolarHBondContact N-O 3.17Å; G200-S260 PolarHBondContact O-N 3.02Å
261V88.1Confident72.8Confident4 Ų479.6 Ų79.62%0.02445%0.454CS..EExtended strand (participates in β ladder)trans-100.8115177.2-171.40000110.5V197 I199 F215 L247 G249 Q252V197-V261 HydrophobicContact CB-CG1 3.99Å; V197-V261 HydrophobicContact CG1-CG1 4.31Å; V197-V261 HydrophobicContact CG2-CG1 4.3Å; I199-V261 HydrophobicContact CD1-CB 4.37Å; I199-V261 HydrophobicContact CD1-CG1 4.03Å; I199-V261 HydrophobicContact CD1-CG2 3.88Å; F215-V261 HydrophobicContact CE1-CG2 4.19Å; F215-V261 HydrophobicContact CZ-CG2 4.15Å; L247-V261 HydrophobicContact CB-CG1 3.99Å; L247-V261 VanDerWaalsContact O-CB 3.29Å; L247-V261 WeakPolarHBondContact O-CB 3.34Å; L247-V261 WeakPolarHBondContact O-CG1 3.16Å; G249-V261 PolarHBondContact N-O 2.86Å; G249-V261 VanDerWaalsContact N-O 3.12Å; Q252-V261 HydrophobicContact CB-CG2 4.41Å; Q252-V261 HydrophobicContact CG-CG2 3.79Å
262G82.4Confident71Confident23 Ų2377.6 Ų77.624%0.23746%0.455CS..EExtended strand (participates in β ladder)trans-121.3169.7179.600000113H198 L248H198-G262 PolarHBondContact N-O 3.05Å; H198-G262 PolarHBondContact O-N 2.8Å; L248-G262 VanDerWaalsContact CD2-C 3.4Å; L248-G262 WeakPolarHBondContact CD2-O 3.4Å
263S79.3Confident68.9Low43 Ų4389 Ų8930%0.30150%0.497SS..EExtended strand (participates in β ladder)trans-71.9128.7177.1-176.50000110V265S263-V265 PolarHBondContact O-N 2.91Å
264A72Confident66.9Low6 Ų692.2 Ų92.25%0.0551%0.513CS..  trans-76.5115.717800000110.1K196 H198 F235 P266K196-A264 HydrophobicContact CB-CB 3.92Å; K196-A264 HydrophobicContact CD-CB 4.45Å; K196-A264 HydrophobicContact CG-CB 3.79Å; K196-A264 WeakPolarHBondContact O-CB 3.49Å; H198-A264 HydrophobicContact CB-CB 4.38Å; F235-A264 HydrophobicContact CD1-CB 3.89Å; F235-A264 HydrophobicContact CE1-CB 4.13Å; A264-P266 WeakPolarHBondContact O-CD 3.16Å
265V70.3Confident64.6Low114 Ų11496.7 Ų96.769%0.69154%0.544SS*.  trans-81.7118.9172.6-176.80000108.6S263 K267S263-V265 PolarHBondContact O-N 2.91Å; V265-K267 PolarHBondContact O-N 2.83Å
266P60.7Low62.6Low105 Ų10597.1 Ų97.168%0.68255%0.551SS**  trans-63.3121.6176.424.6-31.3000109.2A264 L268A264-P266 WeakPolarHBondContact O-CD 3.16Å; P266-L268 PolarHBondContact O-N 2.98Å; P266-L268 VanDerWaalsContact O-N 3.12Å
267K56.3Low60.8Low162 Ų162100.7 Ų100.770%0.70456%0.561SS**  trans-74.6101.3168.8-68.6-179.2-177.7174.40107.3V265V265-K267 PolarHBondContact O-N 2.83Å
268L51.5Low58.7Low152 Ų152105 Ų10580%0.79658%0.584SS**  trans-56.5141.3162.1-72.4160.7000108.1P266P266-L268 PolarHBondContact O-N 2.98Å; P266-L268 VanDerWaalsContact O-N 3.12Å
269P46.5Very low56.6Low97 Ų97102.9 Ų102.963%0.6359%0.586SS**  trans-53.5143.2172.922.4-31.4000109S271P269-S271 PolarHBondContact O-N 2.77Å
270P42.1Very low54.3Low135 Ų135110.4 Ų110.488%0.87762%0.621SS**  trans-72.372.4-178.430.5-33.4000110A272P270-A272 PolarHBondContact O-N 3.01Å
271S44.9Very low52.2Low108 Ų108118.6 Ų118.676%0.75565%0.645SS**  trans-78.5108.2161.8-710000107.4P269P269-S271 PolarHBondContact O-N 2.77Å
272A41.5Very low50.1Low87 Ų87125.4 Ų125.472%0.71968%0.679SS**  trans42.991.3164.400000115.3P270 Q274P270-A272 PolarHBondContact O-N 3.01Å; A272-Q274 PolarHBondContact O-N 3.14Å
273R39.1Very low48.2Very low255 Ų255129.8 Ų129.896%0.96270%0.704SS**  trans-58.486.6144.9-84.7-178.4168.7171.7-4.1107.3S275R273-S275 PolarHBondContact O-N 3.09Å
274Q41.9Very low46.4Very low176 Ų176133.6 Ų133.682%0.82273%0.725SS**  trans-70.3109.2158.4-156.7158.524.400105.2A272 N276A272-Q274 PolarHBondContact O-N 3.14Å; Q274-N276 PolarHBondContact O-N 3.43Å
275S34.4Very low45.1Very low100 Ų100139.6 Ų139.670%0.69976%0.761SS**  trans-50.299.5166.550.80000108.7R273R273-S275 PolarHBondContact O-N 3.09Å
276N37.5Very low43.9Very low149 Ų149139.8 Ų139.880%0.79777%0.768SS**  trans-107.467.3162-149.517.6000108Q274 N278Q274-N276 PolarHBondContact O-N 3.43Å; N276-N278 PolarHBondContact O-N 3.33Å
277T42.9Very low42.8Very low132 Ų132143.4 Ų143.481%0.8178%0.778SS**  trans-75.784.6157.138.30000107.3
278N39.5Very low42Very low126 Ų126144 Ų14467%0.67478%0.783SS**  trans-14267.7158.9-145.45.5000108.6N276 Q280N276-N278 PolarHBondContact O-N 3.33Å; N278-Q280 PolarHBondContact O-N 3.1Å
279N42.3Very low41.4Very low139 Ų139141.1 Ų141.174%0.74378%0.781SS**  trans-87.390.3170.7-151.919.9000106.9R281N279-R281 PolarHBondContact O-N 2.68Å
280Q41.9Very low41Very low160 Ų160140.3 Ų140.375%0.74878%0.782SS**  trans-61.4103.5162.4-73.1-172.6-6.100107.8N278N278-Q280 PolarHBondContact O-N 3.1Å
281R40.3Very low40.8Very low218 Ų218140.7 Ų140.782%0.82378%0.776SS**  trans-105.6106.4160.1-90.6-172.5161.6-171.4-4.9107.7N279 P283N279-R281 PolarHBondContact O-N 2.68Å; R281-P283 WeakPolarHBondContact O-CD 3.35Å
282I44.4Very low40.5Very low146 Ų146143.2 Ų143.275%0.74978%0.776SS**  trans-75.8127.9160.9-59.7166.5000106.9
283P42Very low40.3Very low116 Ų116143.8 Ų143.875%0.75378%0.775SS**  trans-115.2124.1147.931.9-21.6000109.6R281R281-P283 WeakPolarHBondContact O-CD 3.35Å
284V43.3Very low40.5Very low123 Ų123137.4 Ų137.475%0.74576%0.764SS**  trans-59.7163.3169.4-72.20000111.7
285T43.2Very low40.5Very low132 Ų132136.5 Ų136.581%0.8176%0.762SS**  trans10290.3160.9-20.50000116.2
286S45.3Very low40.8Very low118 Ų118140.7 Ų140.783%0.82577%0.773SS**  -171122103.935.10000110.6
287M38.9Very low40.8Very low180 Ų180136.4 Ų136.489%0.88776%0.764SS**  trans-56.8121.4162.2177.5178-165.600109.6
288Q39.7Very low40.8Very low176 Ų176136 Ų13682%0.82276%0.761SS**  trans-165.9113.2137.2-15589.2-1.700108.6
289A38.4Very low41Very low91 Ų91137.5 Ų137.575%0.75276%0.764SS**  trans11.8145.8143.300000119
290A36.6Very low40.8Very low79 Ų79137 Ų13765%0.65376%0.757SS**  cis173.6159.6-1.600000104.8
291L38.3Very low40.4Very low144 Ų144140.4 Ų140.475%0.75476%0.763SS**  trans71.6137.6152.7-94.891000120.1
292Q38.4Very low40.2Very low160 Ų160133.3 Ų133.375%0.74876%0.758SS**  trans82.597152.6-67.416715.200115.3
293S38.9Very low39.9Very low99 Ų99130.6 Ų130.669%0.69276%0.758SS**  93.4109.176.7-800000110.2
294T42.8Very low39.8Very low121 Ų121137.2 Ų137.274%0.74277%0.768SS**  trans49.6155.4132.4-45.90000119.7
295M41.6Very low40.1Very low157 Ų157136.5 Ų136.577%0.77377%0.766SS**  trans81.3108.7153.842.8-169171.200119.1
296M40.6Very low40.1Very low188 Ų188136.5 Ų136.593%0.92677%0.768SS**  trans78120.8131.5-62.6-82.8-137.300118.2
297G37.8Very low40Very low59 Ų59135.2 Ų135.261%0.60876%0.764SS**  110.698.4115.500000117.5
298T43.1Very low40Very low123 Ų123138.2 Ų138.276%0.75577%0.768SS**  65.2141.1128.588.30000121.4
299Q43.5Very low39.9Very low158 Ų158133.4 Ų133.474%0.73877%0.766SS**  trans73.1146.9156.9-51-54.5-11.700115.7
300Q37.1Very low40Very low128 Ų128133 Ų13360%0.59877%0.771SS**  cis173.9168.1-9177.2173.34.100103.2
301W35.1Very low40Very low232 Ų232138.3 Ų138.388%0.87978%0.784SS**  trans84.9129171.7-47.797.1000115
302G36.4Very low40.2Very low69 Ų69138 Ų13871%0.71179%0.788SS**  cis175.3144.44.800000108
303A36.5Very low40.2Very low90 Ų90138.6 Ų138.674%0.74479%0.791SS**  trans-77.8163.1-167.400000115.7
304W39.9Very low40.1Very low255 Ų255140.8 Ų140.897%0.96680%0.795SS**  trans-133.5142.9146.4-71.491.3000110.1
305P49.6Very low39.9Very low107 Ų107142 Ų14270%0.69580%0.796SS**  trans-105.2170.4-154.339-31.2000115
306P44.6Very low39.6Very low132 Ų132145.4 Ų145.486%0.85780%0.801SS**  trans-91.6148.4171.336-29.4000112
307A41.5Very low39.4Very low91 Ų91147 Ų14775%0.75280%0.798SS**  trans-122.1127179.700000112.4
308Y40.1Very low39.2Very low243 Ų243148 Ų14895%0.95381%0.808SS**  trans40.1133.8135-84.8-102.3000119.3
309G37.7Very low38.8Very low76 Ų76145.6 Ų145.678%0.78481%0.808SS**  cis162.3159.111.400000110.1
310G39.1Very low38.4Very low83 Ų83146.3 Ų146.386%0.85681%0.812SS**  trans157.9112.6149.500000115.6
311M38.6Very low38.4Very low190 Ų190148.5 Ų148.594%0.93682%0.822SS**  trans-79.7171.8177-64.6173.8172.600113.1
312V40.9Very low38.3Very low137 Ų137142.3 Ų142.383%0.8381%0.814SS**  trans137.2136.7151.3167.70000108.7
313Q39.7Very low38Very low173 Ų173144.4 Ų144.481%0.80882%0.817SS**  cis-172.7150.1-21.8178.2157.1-12.600105.7
314N35.5Very low37.9Very low145 Ų145143.7 Ų143.778%0.77582%0.819SS**  trans-32.2144.4167.7-92.2-18.5000116.5
315N40.1Very low37.5Very low145 Ų145141.8 Ų141.878%0.77582%0.817SS**  -163.5143.5111-113.720.5000114.2
316R33.5Very low36.4Very low230 Ų230140.6 Ų140.687%0.86883%0.825SS**  trans-124.4119.6-174.1177.7-159.4-114179-1.6106.8
317Y36.6Very low35.8Very low220 Ų220138.1 Ų138.186%0.86382%0.823SS**  trans-161.4134.4165.6-80.7-82.1000105.7
318G34.8Very low35.3Very low80 Ų80139.7 Ų139.783%0.82583%0.828SS**  cis118.2115.819.500000110
319G34.9Very low35.1Very low74 Ų74140.1 Ų140.176%0.76383%0.828SS**  trans113.6109.7170.100000113.9
320Q34Very low34.8Very low172 Ų172144.5 Ų144.580%0.80483%0.834SS**  cis81151.849.4-160.7124.342.500113.2
321H36.6Very low34.3Very low175 Ų175143.6 Ų143.681%0.8183%0.825SS**  trans78.3136.5171.9-34-88000115.4
322S32.8Very low33.9Very low102 Ų102140.5 Ų140.571%0.71382%0.822SS**  cis-173.1141.8-5.8-163.20000109.3
323S30.7Very low33.5Very low112 Ų112143.1 Ų143.178%0.78383%0.827SS**  trans24.8135.214164.30000124
324G34Very low33.3Very low75 Ų75138.7 Ų138.777%0.77383%0.828SS**  trans153.594150.200000111.7
325K31.3Very low33.2Very low215 Ų215135.5 Ų135.594%0.93583%0.829SS**  70.8104.369.4-154.1177.5-174.1-179.10114.7
326G27.2Very low33.3Very low83 Ų83135.7 Ų135.786%0.85683%0.827SS**  trans93.9130.513400000118.7
327G32.3Very low34.1Very low80 Ų80130 Ų13083%0.82581%0.814SS**  trans156.272.715700000116.7
328S31.1Very low34.6Very low123 Ų123124.5 Ų124.586%0.8681%0.806SS**  trans-55.6136.6160.1-63.80000111.3
329R36.5Very low35.1Very low252 Ų252124 Ų12495%0.95179%0.793SS**  trans-136.7125.4149.4-77.2-166.3177.6174.4-0.2112.3
330N31Very low35.7Very low168 Ų168122.2 Ų122.290%0.89877%0.772SS**  trans-66.7158.8178.5-166.317.8000113.3
331G29Very low36.3Very low65 Ų65116.3 Ų116.367%0.6775%0.752SS**  trans106.3105.3145.500000117.4
332S30.1Very low36.9Very low124 Ų124110.6 Ų110.687%0.86774%0.735SS**  170121.793.8-165.70000111
333M31.8Very low37.8Very low193 Ų193108.6 Ų108.695%0.95173%0.725SS**  trans-55.9141.2165.7-75-178.7167.400111
334G34.9Very low38.8Very low79 Ų79105.8 Ų105.881%0.81471%0.709SS**  trans-143.394.1174.700000112.3
335G34Very low39.6Very low79 Ų79105 Ų10581%0.81470%0.695SS**  trans51.591.2145.700000120.2
336M42.2Very low40.9Very low149 Ų14999.6 Ų99.673%0.73468%0.679SS**  trans-69.3129.1155.9-114.685.4155.600109.7
337N49.6Very low42.2Very low110 Ų11099.3 Ų99.359%0.58866%0.658SS**  trans-67.3121.8171.1-165.7-18.2000109.1A339 A340 A341N337-A339 PolarHBondContact O-N 3.35Å; N337-A339 VanDerWaalsContact O-N 3.09Å; N337-A340 HydrophobicContact CB-CB 4.35Å; N337-A340 PolarHBondContact O-N 3.44Å; N337-A341 PolarHBondContact O-N 3.48Å; N337-A341 VanDerWaalsContact O-N 3.16Å
338P48.4Very low43.1Very low105 Ų10598.1 Ų98.168%0.68264%0.64SS**Hα-helixtrans-58.4-27-174.220.4-32.9000113.5A342P338-A342 WeakPolarHBondContact O-CB 3.13Å; P338-A342 PolarHBondContact O-N 3.45Å
339A43.8Very low44.2Very low68 Ų6894.9 Ų94.956%0.56262%0.621SS**Hα-helixtrans-69.6-36.1175.100000113.1N337 A343N337-A339 PolarHBondContact O-N 3.35Å; N337-A339 VanDerWaalsContact O-N 3.09Å; A339-A343 WeakPolarHBondContact O-CB 3.39Å; A339-A343 PolarHBondContact O-N 3.29Å
340A49.2Very low44.9Very low38 Ų3887.8 Ų87.831%0.31460%0.599SS.*Hα-helixtrans-74.8-36.3177.500000111.6N337 A343 A344N337-A340 HydrophobicContact CB-CB 4.35Å; N337-A340 PolarHBondContact O-N 3.44Å; A340-A343 PolarHBondContact O-N 3.35Å; A340-A344 WeakPolarHBondContact O-CB 3.26Å; A340-A344 PolarHBondContact O-N 2.87Å
341A46.4Very low45.6Very low48 Ų4886.7 Ų86.740%0.39758%0.583SS.*Hα-helixtrans-65.9-39.2173.100000112.1N337 A345N337-A341 PolarHBondContact O-N 3.48Å; N337-A341 VanDerWaalsContact O-N 3.16Å; A341-A345 VanDerWaalsContact O-CB 3.29Å; A341-A345 WeakPolarHBondContact O-CB 3.19Å; A341-A345 PolarHBondContact O-N 3.49Å
342A48.1Very low46.8Very low55 Ų5587.4 Ų87.446%0.45558%0.575SS.*Hα-helixtrans-66.2-43.917500000112.1P338 A345 V346P338-A342 WeakPolarHBondContact O-CB 3.13Å; P338-A342 PolarHBondContact O-N 3.45Å; A342-A345 PolarHBondContact O-N 2.8Å; A342-V346 WeakPolarHBondContact O-CG2 3.31Å; A342-V346 PolarHBondContact O-N 2.74Å
343A52Low47.7Very low60 Ų6090 Ų9050%0.49657%0.566SS.*Hα-helixtrans-63.8-42.4176.900000112.2A339 A340 V346 L347A339-A343 WeakPolarHBondContact O-CB 3.39Å; A339-A343 PolarHBondContact O-N 3.29Å; A340-A343 PolarHBondContact O-N 3.35Å; A343-V346 PolarHBondContact O-N 3.39Å; A343-L347 WeakPolarHBondContact O-CB 3.22Å; A343-L347 PolarHBondContact O-N 3.24Å
344A51.3Low48.5Very low53 Ų5384.5 Ų84.544%0.43854%0.543SS..Hα-helixtrans-64.9-37.9175.200000112.6A340 L347 A348A340-A344 WeakPolarHBondContact O-CB 3.26Å; A340-A344 PolarHBondContact O-N 2.87Å; A344-L347 PolarHBondContact O-N 3.49Å; A344-A348 VanDerWaalsContact O-CB 3.3Å; A344-A348 WeakPolarHBondContact O-CB 3.3Å; A344-A348 PolarHBondContact O-N 2.78Å
345A52Low49.1Very low59 Ų5986.1 Ų86.149%0.48853%0.528SS..Hα-helixtrans-67.4-39.5176.200000112.5A341 A342 A348 A349A341-A345 VanDerWaalsContact O-CB 3.29Å; A341-A345 WeakPolarHBondContact O-CB 3.19Å; A341-A345 PolarHBondContact O-N 3.49Å; A342-A345 PolarHBondContact O-N 2.8Å; A345-A348 PolarHBondContact O-N 3.5Å; A345-A349 VanDerWaalsContact O-CB 3.31Å; A345-A349 WeakPolarHBondContact O-CB 3.34Å; A345-A349 PolarHBondContact O-N 3.25Å
346V57.8Low49.6Very low100 Ų10089.4 Ų89.461%0.60652%0.522SS*.Hα-helixtrans-66.2-42.4174.6173.20000110.7A342 A343 A348 A349 E350A342-V346 WeakPolarHBondContact O-CG2 3.31Å; A342-V346 PolarHBondContact O-N 2.74Å; A343-V346 PolarHBondContact O-N 3.39Å; V346-A348 PolarHBondContact O-N 3.5Å; V346-A349 PolarHBondContact O-N 2.91Å; V346-E350 PolarHBondContact O-N 3.45Å
347L53.8Low49.8Very low77 Ų7787.7 Ų87.740%0.40352%0.521SS..Hα-helixtrans-63.3-42.2176.7-130.692.7000112.3A343 A344 E350 Y351 L389A343-L347 WeakPolarHBondContact O-CB 3.22Å; A343-L347 PolarHBondContact O-N 3.24Å; A344-L347 PolarHBondContact O-N 3.49Å; L347-E350 PolarHBondContact O-N 2.88Å; L347-Y351 WeakPolarHBondContact O-CB 3.31Å; L347-Y351 PolarHBondContact O-N 2.99Å; L347-L389 HydrophobicContact CD2-CD2 4.02Å
348A52.9Low49.3Very low55 Ų5593.6 Ų93.646%0.45553%0.534SS..Hα-helixtrans-69.3-36.5178.600000112.6A344 A345 V346 T352A344-A348 VanDerWaalsContact O-CB 3.3Å; A344-A348 WeakPolarHBondContact O-CB 3.3Å; A344-A348 PolarHBondContact O-N 2.78Å; A345-A348 PolarHBondContact O-N 3.5Å; V346-A348 PolarHBondContact O-N 3.5Å; A348-T352 PolarHBondContact O-N 2.96Å; A348-T352 VanDerWaalsContact O-N 3.1Å; A348-T352 PolarHBondContact O-OG1 2.94Å
349A52.4Low48.6Very low56 Ų5695.8 Ų95.846%0.46354%0.541SS..Hα-helixtrans-65.3-40.1174.300000111.7A345 V346 T352 R353A345-A349 VanDerWaalsContact O-CB 3.31Å; A345-A349 WeakPolarHBondContact O-CB 3.34Å; A345-A349 PolarHBondContact O-N 3.25Å; V346-A349 PolarHBondContact O-N 2.91Å; A349-T352 PolarHBondContact O-N 3.31Å; A349-R353 PolarHBondContact O-N 3.41Å; A349-R353 VanDerWaalsContact O-N 3.07Å
350E51.5Low48.3Very low102 Ų10297.7 Ų97.748%0.47755%0.55SS..Hα-helixtrans-72.7-39.8179.7-150.563-165.300111.9V346 L347 T352 R353 V354V346-E350 PolarHBondContact O-N 3.45Å; L347-E350 PolarHBondContact O-N 2.88Å; E350-T352 VanDerWaalsContact C-N 3.28Å; E350-T352 PolarHBondContact O-N 2.97Å; E350-R353 PolarHBondContact O-N 2.96Å; E350-V354 WeakPolarHBondContact O-CG2 3.47Å; E350-V354 PolarHBondContact O-N 2.97Å; E350-V354 VanDerWaalsContact O-N 3.08Å
351Y47.1Very low47.5Very low145 Ų14599.5 Ų99.557%0.56957%0.572SS**Hα-helixtrans-58.2-40.3171.8-164.9-92000111.8L347 H355L347-Y351 WeakPolarHBondContact O-CB 3.31Å; L347-Y351 PolarHBondContact O-N 2.99Å; Y351-H355 AromaticContact CD1-CD2 3.81Å; Y351-H355 AromaticContact CE1-CD2 3.57Å; Y351-H355 AromaticContact CE1-NE2 3.75Å; Y351-H355 AromaticContact CE2-NE2 3.74Å; Y351-H355 AromaticContact CZ-CD2 3.71Å; Y351-H355 AromaticContact CZ-NE2 3.4Å; Y351-H355 WeakPolarHBondContact O-CB 3.32Å; Y351-H355 PolarHBondContact O-CD2 2.88Å; Y351-H355 VanDerWaalsContact O-CD2 3.27Å; Y351-H355 PolarHBondContact O-N 2.77Å; Y351-H355 VanDerWaalsContact O-N 3.15Å
352T53.2Low46.9Very low81 Ų81103.9 Ų103.950%0.49759%0.594SS.*Hα-helixtrans-69.5-39178.8-530000112.2A348 A349 E350 H355 H356A348-T352 PolarHBondContact O-N 2.96Å; A348-T352 VanDerWaalsContact O-N 3.1Å; A348-T352 PolarHBondContact O-OG1 2.94Å; A349-T352 PolarHBondContact O-N 3.31Å; E350-T352 VanDerWaalsContact C-N 3.28Å; E350-T352 PolarHBondContact O-N 2.97Å; T352-H355 PolarHBondContact O-N 3.44Å; T352-H356 WeakPolarHBondContact O-CB 3.27Å; T352-H356 PolarHBondContact O-N 3.42Å
353R50.2Low46.2Very low179 Ų179107 Ų10768%0.67561%0.61SS**Hα-helixtrans-63.8-41.8175.9-89.9-174.1175.8-178-0.7112.9A349 E350 T357A349-R353 PolarHBondContact O-N 3.41Å; A349-R353 VanDerWaalsContact O-N 3.07Å; E350-R353 PolarHBondContact O-N 2.96Å; R353-T357 WeakPolarHBondContact O-CG2 3.18Å; R353-T357 PolarHBondContact O-OG1 2.74Å
354V48.4Very low45.3Very low77 Ų77108.4 Ų108.447%0.46762%0.622SS.*Hα-helixtrans-74.9-27.6-177.9-178.10000111.6E350 T357E350-V354 WeakPolarHBondContact O-CG2 3.47Å; E350-V354 PolarHBondContact O-N 2.97Å; E350-V354 VanDerWaalsContact O-N 3.08Å; V354-T357 PolarHBondContact O-OG1 3.06Å
355H47.8Very low44.3Very low112 Ų112114.1 Ų114.152%0.51965%0.645SS.*Hα-helixtrans-86.4-23.8176.6-82.9-86.9000114.8Y351 T352Y351-H355 AromaticContact CD1-CD2 3.81Å; Y351-H355 AromaticContact CE1-CD2 3.57Å; Y351-H355 AromaticContact CE1-NE2 3.75Å; Y351-H355 AromaticContact CE2-NE2 3.74Å; Y351-H355 AromaticContact CZ-CD2 3.71Å; Y351-H355 AromaticContact CZ-NE2 3.4Å; Y351-H355 WeakPolarHBondContact O-CB 3.32Å; Y351-H355 PolarHBondContact O-CD2 2.88Å; Y351-H355 VanDerWaalsContact O-CD2 3.27Å; Y351-H355 PolarHBondContact O-N 2.77Å; Y351-H355 VanDerWaalsContact O-N 3.15Å; T352-H355 PolarHBondContact O-N 3.44Å
356H44.4Very low43.3Very low148 Ų148114.6 Ų114.669%0.68566%0.655SS**Hα-helixtrans-77.2-21.7175.5-113.171.6000114T352 R358T352-H356 WeakPolarHBondContact O-CB 3.27Å; T352-H356 PolarHBondContact O-N 3.42Å; H356-R358 VanDerWaalsContact C-N 3.27Å; H356-R358 PolarHBondContact O-N 3.39Å
357T44.8Very low42.1Very low114 Ų114119.1 Ų119.170%0.69967%0.67SS**THydrogen-bonded Turntrans-82.4-2.1-17849.70000113.9R353 V354R353-T357 WeakPolarHBondContact O-CG2 3.18Å; R353-T357 PolarHBondContact O-OG1 2.74Å; V354-T357 PolarHBondContact O-OG1 3.06Å
358R40.5Very low41.2Very low233 Ų233120.5 Ų120.588%0.87968%0.684SS**THydrogen-bonded Turntrans-105.57.4-178-148169.1174.1163.2-1.1114H356H356-R358 VanDerWaalsContact C-N 3.27Å; H356-R358 PolarHBondContact O-N 3.39Å
359N34Very low40.2Very low152 Ų152127.4 Ų127.481%0.81371%0.706SS**  trans-145.661.3-175.1-151.829.8000112.6
360S36.9Very low39.1Very low108 Ų108135.6 Ų135.676%0.75573%0.727SS**  trans-141.4119.2162.355.50000110.4
361G32.6Very low38.1Very low76 Ų76138.3 Ų138.378%0.78475%0.745SS**  trans-67.7146.3179.500000112.8
362T33.8Very low37.3Very low140 Ų140134.7 Ų134.786%0.85975%0.751SS**  trans-48.3147.8168.245.70000113.3
363P33.8Very low36.1Very low120 Ų120137.3 Ų137.378%0.77977%0.767SS**  -144.4148.4100.535.6-19.4000116.7
364A31.2Very low35.1Very low90 Ų90132.6 Ų132.674%0.74476%0.761SS**  trans54.9125.3139.600000123
365N31.8Very low34.2Very low173 Ų173136.3 Ų136.393%0.92578%0.784SS**  trans77.3124.4149.7-82.8-17.3000120.7
366G31Very low33.3Very low69 Ų69135.8 Ų135.871%0.71179%0.785SS**  trans119.381.8133.300000118.2
367Q31Very low33Very low194 Ų194134 Ų13491%0.90779%0.789SS**  trans63.7151.6147.1-74.9-120.2-71.700121.6
368P36.6Very low32.9Very low107 Ų107132.4 Ų132.470%0.69578%0.782SS**  trans-100.2138.1-165.336.6-25.8000112.1
369E31.5Very low32.9Very low200 Ų200127 Ų12794%0.93577%0.771SS**  trans-128124.2159.2-87.3-164.8152.100111.5
370Y29.3Very low33.3Very low227 Ų227123.7 Ų123.789%0.8976%0.76SS**  trans-75.6122173.1-148.7-96.9000107.6
371N29.9Very low33.7Very low160 Ų160121.4 Ų121.486%0.85675%0.747SS**  trans-153.1119.9153-115.1-15.5000110.7
372G29.8Very low34.3Very low68 Ų68120.1 Ų120.170%0.70173%0.73SS**  trans-65.6145-17900000112
373V29.4Very low35Very low137 Ų137118.9 Ų118.983%0.8372%0.717SS**  trans-136.1139.4163-177.20000108.6
374S28.2Very low35.7Very low79 Ų79115.4 Ų115.455%0.55270%0.698SS**  trans-48.9148.9-170.741.20000116.1D376S374-D376 VanDerWaalsContact C-N 3.25Å; S374-D376 PolarHBondContact O-N 3.28Å; S374-D376 PolarHBondContact OG-OD2 3.12Å
375V28.9Very low36.8Very low155 Ų155113.8 Ų113.894%0.93968%0.679SS**  trans-71.777172.6-162.80000108.4
376D29Very low37.7Very low102 Ų102111.1 Ų111.155%0.54566%0.663SS.*  trans-92.7138.6-179.9-77.5-49.2000112.1S374 S378S374-D376 VanDerWaalsContact C-N 3.25Å; S374-D376 PolarHBondContact O-N 3.28Å; S374-D376 PolarHBondContact OG-OD2 3.12Å; D376-S378 PolarHBondContact O-N 3.14Å
377S39.6Very low38.9Very low110 Ų110113.5 Ų113.577%0.76966%0.659SS**THydrogen-bonded Turntrans-47.9-4.5-176.3-140.50000116.5N379 S380S377-N379 PolarHBondContact O-N 3.19Å; S377-S380 PolarHBondContact O-N 3.38Å
378S41.9Very low40.1Very low80 Ų80108 Ų10856%0.55964%0.635SS**Hα-helixtrans-67.4-28.6-177.8-40.70000113.9D376 A382D376-S378 PolarHBondContact O-N 3.14Å; S378-A382 PolarHBondContact O-N 3.07Å; S378-A382 VanDerWaalsContact O-N 3.11Å
379N41.3Very low41Very low119 Ų119105.8 Ų105.864%0.63662%0.617SS**Hα-helixtrans-74.9-25.4179.8-76.2-22.3000113S377 L383S377-N379 PolarHBondContact O-N 3.19Å; N379-L383 VanDerWaalsContact O-CB 3.27Å; N379-L383 WeakPolarHBondContact O-CB 3.25Å; N379-L383 WeakPolarHBondContact O-CD1 3.43Å; N379-L383 WeakPolarHBondContact O-CG 3.29Å; N379-L383 PolarHBondContact O-N 3.25Å
380S42.8Very low42.2Very low84 Ų84100.3 Ų100.359%0.58760%0.601SS**Hα-helixtrans-70.9-41.7175.7-173.20000111.1S377 A384S377-S380 PolarHBondContact O-N 3.38Å; S380-A384 WeakPolarHBondContact O-CB 3.46Å; S380-A384 PolarHBondContact O-N 3.41Å
381A43.7Very low43.3Very low59 Ų5992.6 Ų92.649%0.48858%0.575SS.*Hα-helixtrans-67.9-40.4175.100000112A384 T385A381-A384 PolarHBondContact O-N 2.88Å; A381-T385 WeakPolarHBondContact O-CB 3.49Å; A381-T385 PolarHBondContact O-N 3.49Å; A381-T385 PolarHBondContact O-OG1 2.88Å
382A45.8Very low44.7Very low50 Ų5087.2 Ų87.241%0.41355%0.549SS..Hα-helixtrans-65-42.7175.600000112.1S378 T385 M386S378-A382 PolarHBondContact O-N 3.07Å; S378-A382 VanDerWaalsContact O-N 3.11Å; A382-T385 PolarHBondContact O-N 3.49Å; A382-M386 WeakPolarHBondContact O-CB 3.37Å; A382-M386 WeakPolarHBondContact O-CG 3.5Å; A382-M386 PolarHBondContact O-N 2.91Å
383L48.4Very low46.1Very low113 Ų11389.1 Ų89.159%0.59254%0.543SS*.Hα-helixtrans-66.7-39174.1-81164.8000112.4N379 T385 M386 N387N379-L383 VanDerWaalsContact O-CB 3.27Å; N379-L383 WeakPolarHBondContact O-CB 3.25Å; N379-L383 WeakPolarHBondContact O-CD1 3.43Å; N379-L383 WeakPolarHBondContact O-CG 3.29Å; N379-L383 PolarHBondContact O-N 3.25Å; L383-T385 VanDerWaalsContact C-N 3.34Å; L383-M386 PolarHBondContact O-N 2.82Å; L383-N387 WeakPolarHBondContact O-CB 3.04Å; L383-N387 PolarHBondContact O-N 2.85Å
384A49Very low47.7Very low47 Ų4785 Ų8539%0.38852%0.518SS..Hα-helixtrans-63.7-41.5173.800000111.3S380 A381 N387 I388S380-A384 WeakPolarHBondContact O-CB 3.46Å; S380-A384 PolarHBondContact O-N 3.41Å; A381-A384 PolarHBondContact O-N 2.88Å; A384-N387 PolarHBondContact O-N 3.45Å; A384-I388 WeakPolarHBondContact O-CB 3.47Å; A384-I388 WeakPolarHBondContact O-CD1 3.27Å; A384-I388 WeakPolarHBondContact O-CG1 3.4Å; A384-I388 PolarHBondContact O-N 3.22Å
385T53.4Low49.2Very low56 Ų5683.6 Ų83.634%0.34451%0.506SS..Hα-helixtrans-66.2-40.6176.4-49.60000110.9A381 A382 L383 N387 I388 L389A381-T385 WeakPolarHBondContact O-CB 3.49Å; A381-T385 PolarHBondContact O-N 3.49Å; A381-T385 PolarHBondContact O-OG1 2.88Å; A382-T385 PolarHBondContact O-N 3.49Å; L383-T385 VanDerWaalsContact C-N 3.34Å; T385-N387 VanDerWaalsContact C-N 3.33Å; T385-N387 PolarHBondContact O-N 3.38Å; T385-I388 PolarHBondContact O-N 2.92Å; T385-L389 HydrophobicContact CG2-CD1 4.01Å; T385-L389 HydrophobicContact CG2-CG 4.45Å; T385-L389 WeakPolarHBondContact O-CB 3.39Å; T385-L389 WeakPolarHBondContact O-CG 3.47Å; T385-L389 PolarHBondContact O-N 2.75Å
386M52.2Low50.4Low118 Ų11878.1 Ų78.158%0.58148%0.477SS*.Hα-helixtrans-65.9-33.2174.4-71.2-74.7-80.800112.7A382 L383 S390A382-M386 WeakPolarHBondContact O-CB 3.37Å; A382-M386 WeakPolarHBondContact O-CG 3.5Å; A382-M386 PolarHBondContact O-N 2.91Å; L383-M386 PolarHBondContact O-N 2.82Å; M386-S390 WeakPolarHBondContact O-CB 3.17Å; M386-S390 PolarHBondContact O-N 3.31Å
387N54.5Low51.9Low118 Ų11876.1 Ų76.163%0.63147%0.474SS*.Hα-helixtrans-74.2-28.1173.2-86.3-15.8000113.6L383 A384 T385 S390L383-N387 WeakPolarHBondContact O-CB 3.04Å; L383-N387 PolarHBondContact O-N 2.85Å; A384-N387 PolarHBondContact O-N 3.45Å; T385-N387 VanDerWaalsContact C-N 3.33Å; T385-N387 PolarHBondContact O-N 3.38Å; N387-S390 PolarHBondContact O-OG 2.79Å
388I56.2Low52.8Low79 Ų7974.4 Ų74.441%0.40546%0.456SS..Hα-helixtrans-75.4-39.6173.5-71.1165.8000109.9A384 T385 V394 I398A384-I388 WeakPolarHBondContact O-CB 3.47Å; A384-I388 WeakPolarHBondContact O-CD1 3.27Å; A384-I388 WeakPolarHBondContact O-CG1 3.4Å; A384-I388 PolarHBondContact O-N 3.22Å; T385-I388 PolarHBondContact O-N 2.92Å; I388-V394 HydrophobicContact CG2-CG1 3.55Å; I388-I398 HydrophobicContact CG2-CD1 3.73Å
389L56.2Low53.7Low61 Ų6174.3 Ų74.332%0.31945%0.452SS..Hα-helixtrans-76.5-17.8178.6-69.5172.4000113.9L347 T385 N391 V395L347-L389 HydrophobicContact CD2-CD2 4.02Å; T385-L389 HydrophobicContact CG2-CD1 4.01Å; T385-L389 HydrophobicContact CG2-CG 4.45Å; T385-L389 WeakPolarHBondContact O-CB 3.39Å; T385-L389 WeakPolarHBondContact O-CG 3.47Å; T385-L389 PolarHBondContact O-N 2.75Å; L389-N391 VanDerWaalsContact C-N 3.25Å; L389-N391 PolarHBondContact O-N 3.36Å; L389-V395 HydrophobicContact CD2-CG2 4.02Å
390S56.1Low54.4Low84 Ų8471.4 Ų71.459%0.58744%0.441SS*.THydrogen-bonded Turntrans-75.8-13.3176.866.60000113.4M386 N387M386-S390 WeakPolarHBondContact O-CB 3.17Å; M386-S390 PolarHBondContact O-N 3.31Å; N387-S390 PolarHBondContact O-OG 2.79Å
391N53.6Low55.1Low65 Ų6571.4 Ų71.435%0.34845%0.446SS..  trans-102.9108175.9-168.1-25.1000110.7L389 N393 V394 V395L389-N391 VanDerWaalsContact C-N 3.25Å; L389-N391 PolarHBondContact O-N 3.36Å; N391-N393 PolarHBondContact O-N 3.34Å; N391-N393 VanDerWaalsContact O-N 3.11Å; N391-N393 WeakPolarHBondContact OD1-CB 3.39Å; N391-N393 PolarHBondContact OD1-N 3.01Å; N391-N393 VanDerWaalsContact OD1-N 3.13Å; N391-N393 PolarHBondContact OD1-ND2 3.4Å; N391-V394 HydrophobicContact CB-CB 4.05Å; N391-V394 HydrophobicContact CB-CG2 3.69Å; N391-V394 WeakPolarHBondContact O-CB 3.49Å; N391-V394 PolarHBondContact O-N 3.07Å; N391-V395 PolarHBondContact O-N 3.46Å; N391-V395 VanDerWaalsContact O-N 3.1Å
392P58.3Low55.5Low47 Ų4770.6 Ų70.631%0.30544%0.439SS..Hα-helixtrans-60.3-26.7-177.225.7-36.1000113V163 A396V163-P392 HydrophobicContact CG1-CB 3.36Å; V163-P392 HydrophobicContact CG1-CG 3.44Å; V163-P392 VanDerWaalsContact CG1-CG 3.44Å; P392-A396 VanDerWaalsContact O-CB 3.29Å; P392-A396 WeakPolarHBondContact O-CB 3.28Å; P392-A396 PolarHBondContact O-N 3.48Å
393N60.2Low55.7Low109 Ų10972.4 Ų72.458%0.58345%0.445SS*.Hα-helixtrans-72.8-31176-59.3-59.6000112.4N391 A397N391-N393 PolarHBondContact O-N 3.34Å; N391-N393 VanDerWaalsContact O-N 3.11Å; N391-N393 WeakPolarHBondContact OD1-CB 3.39Å; N391-N393 PolarHBondContact OD1-N 3.01Å; N391-N393 VanDerWaalsContact OD1-N 3.13Å; N391-N393 PolarHBondContact OD1-ND2 3.4Å; N393-A397 VanDerWaalsContact O-CB 3.27Å; N393-A397 WeakPolarHBondContact O-CB 3.46Å; N393-A397 PolarHBondContact O-N 3.43Å
394V62.3Low55.4Low50 Ų5070.4 Ų70.430%0.30345%0.452SS..Hα-helixtrans-75.3-40.6177.3178.50000109.6I388 N391 A397 I398I388-V394 HydrophobicContact CG2-CG1 3.55Å; N391-V394 HydrophobicContact CB-CB 4.05Å; N391-V394 HydrophobicContact CB-CG2 3.69Å; N391-V394 WeakPolarHBondContact O-CB 3.49Å; N391-V394 PolarHBondContact O-N 3.07Å; V394-A397 PolarHBondContact O-N 3.16Å; V394-I398 HydrophobicContact CG1-CD1 3.81Å; V394-I398 HydrophobicContact CG1-CG1 4.46Å; V394-I398 WeakPolarHBondContact O-CB 3.38Å; V394-I398 WeakPolarHBondContact O-CD1 3.29Å; V394-I398 WeakPolarHBondContact O-CG1 3.44Å; V394-I398 PolarHBondContact O-N 3.09Å
395V59.3Low54.9Low49 Ų4971.6 Ų71.630%0.29746%0.462SS..Hα-helixtrans-60.3-47171-179.10000110.8L389 N391 A397 I398 V399L389-V395 HydrophobicContact CD2-CG2 4.02Å; N391-V395 PolarHBondContact O-N 3.46Å; N391-V395 VanDerWaalsContact O-N 3.1Å; V395-A397 PolarHBondContact O-N 2.95Å; V395-I398 PolarHBondContact O-N 3.02Å; V395-V399 HydrophobicContact CG1-CG2 4.38Å; V395-V399 WeakPolarHBondContact O-CB 3.37Å; V395-V399 VanDerWaalsContact O-CG2 3.23Å; V395-V399 WeakPolarHBondContact O-CG2 3.43Å; V395-V399 PolarHBondContact O-N 3.29Å
396A55.6Low54.1Low40 Ų4072 Ų7233%0.33148%0.477SS..Hα-helixtrans-62.5-39.5176.300000112.4P392 V399 S400P392-A396 VanDerWaalsContact O-CB 3.29Å; P392-A396 WeakPolarHBondContact O-CB 3.28Å; P392-A396 PolarHBondContact O-N 3.48Å; A396-V399 PolarHBondContact O-N 3.15Å; A396-S400 WeakPolarHBondContact O-CB 3.32Å; A396-S400 PolarHBondContact O-N 3.29Å
397A59.4Low53.2Low60 Ų6074.4 Ų74.450%0.49649%0.492SS..Hα-helixtrans-66.8-39.8175.600000112.6N393 V394 V395 S400 A401N393-A397 VanDerWaalsContact O-CB 3.27Å; N393-A397 WeakPolarHBondContact O-CB 3.46Å; N393-A397 PolarHBondContact O-N 3.43Å; V394-A397 PolarHBondContact O-N 3.16Å; V395-A397 PolarHBondContact O-N 2.95Å; A397-S400 PolarHBondContact O-N 2.7Å; A397-A401 WeakPolarHBondContact O-CB 3.25Å; A397-A401 PolarHBondContact O-N 2.96Å
398I59.4Low52.1Low75 Ų7575.5 Ų75.539%0.38550%0.503SS..Hα-helixtrans-66.2-44.1175.9-68.7163.5000110.4I388 V394 V395 A401 A402I388-I398 HydrophobicContact CG2-CD1 3.73Å; V394-I398 HydrophobicContact CG1-CD1 3.81Å; V394-I398 HydrophobicContact CG1-CG1 4.46Å; V394-I398 WeakPolarHBondContact O-CB 3.38Å; V394-I398 WeakPolarHBondContact O-CD1 3.29Å; V394-I398 WeakPolarHBondContact O-CG1 3.44Å; V394-I398 PolarHBondContact O-N 3.09Å; V395-I398 PolarHBondContact O-N 3.02Å; I398-A401 PolarHBondContact O-N 3.34Å; I398-A402 VanDerWaalsContact O-CB 3.26Å; I398-A402 WeakPolarHBondContact O-CB 3.44Å; I398-A402 PolarHBondContact O-N 3.01Å
399V59.2Low50.8Low78 Ų7876.5 Ų76.547%0.47352%0.517SS..Hα-helixtrans-66.9-40.1177172.30000111.1V395 A396 A402 T403V395-V399 HydrophobicContact CG1-CG2 4.38Å; V395-V399 WeakPolarHBondContact O-CB 3.37Å; V395-V399 VanDerWaalsContact O-CG2 3.23Å; V395-V399 WeakPolarHBondContact O-CG2 3.43Å; V395-V399 PolarHBondContact O-N 3.29Å; A396-V399 PolarHBondContact O-N 3.15Å; V399-A402 PolarHBondContact O-N 3.47Å; V399-T403 HydrophobicContact CG1-CG2 4.28Å; V399-T403 WeakPolarHBondContact O-CB 3.48Å; V399-T403 VanDerWaalsContact O-CG2 3.31Å; V399-T403 WeakPolarHBondContact O-CG2 3.32Å; V399-T403 PolarHBondContact O-N 3.45Å; V399-T403 PolarHBondContact O-OG1 2.98Å
400S56.9Low49.7Very low58 Ų5882.3 Ų82.341%0.40655%0.545SS..Hα-helixtrans-68.5-34.6176.6-164.50000112A396 A397 A405A396-S400 WeakPolarHBondContact O-CB 3.32Å; A396-S400 PolarHBondContact O-N 3.29Å; A397-S400 PolarHBondContact O-N 2.7Å; S400-A405 PolarHBondContact OG-O 3.17Å
401A57.8Low48.4Very low84 Ų8487.2 Ų87.269%0.69456%0.564SS**Hα-helixtrans-70.9-33.1171.900000112.2A397 I398A397-A401 WeakPolarHBondContact O-CB 3.25Å; A397-A401 PolarHBondContact O-N 2.96Å; I398-A401 PolarHBondContact O-N 3.34Å
402A52.3Low47.3Very low42 Ų4287.3 Ų87.335%0.34758%0.58SS.*Hα-helixtrans-78.6-26.1178.300000114I398 V399I398-A402 VanDerWaalsContact O-CB 3.26Å; I398-A402 WeakPolarHBondContact O-CB 3.44Å; I398-A402 PolarHBondContact O-N 3.01Å; V399-A402 PolarHBondContact O-N 3.47Å
403T49.1Very low45.9Very low87 Ų8793 Ų9353%0.53461%0.608SS.*THydrogen-bonded Turntrans-94-0.6-177.651.50000114.1V399 A405V399-T403 HydrophobicContact CG1-CG2 4.28Å; V399-T403 WeakPolarHBondContact O-CB 3.48Å; V399-T403 VanDerWaalsContact O-CG2 3.31Å; V399-T403 WeakPolarHBondContact O-CG2 3.32Å; V399-T403 PolarHBondContact O-N 3.45Å; V399-T403 PolarHBondContact O-OG1 2.98Å; T403-A405 PolarHBondContact O-N 2.95Å
404G42.6Very low44.7Very low72 Ų7292.9 Ų92.974%0.74262%0.615SS**THydrogen-bonded Turntrans65.110.8175.100000114.8G406G404-G406 PolarHBondContact O-N 3.27Å
405A38.3Very low43.1Very low71 Ų7194.2 Ų94.259%0.58764%0.64SS**  trans-9780.7-178.300000110.1S400 T403S400-A405 PolarHBondContact OG-O 3.17Å; T403-A405 PolarHBondContact O-N 2.95Å
406G35.9Very low41.9Very low64 Ų6498.1 Ų98.166%0.6666%0.663SS**SBendtrans-172.2110175.900000112.4G404 T408G404-G406 PolarHBondContact O-N 3.27Å; G406-T408 PolarHBondContact O-N 3.23Å
407N34Very low40.7Very low169 Ų169101.6 Ų101.690%0.90469%0.685SS**  trans-47.6125.1175.9-95.9-8.4000112S409N407-S409 PolarHBondContact O-N 3.42Å
408T30.9Very low39.1Very low141 Ų141105.4 Ų105.487%0.86570%0.696SS**  trans-60110.8169.541.70000111G406G406-T408 PolarHBondContact O-N 3.23Å
409S29.7Very low37.8Very low100 Ų100111.6 Ų111.670%0.69972%0.721SS**  trans-156.8134.914361.80000109N407N407-S409 PolarHBondContact O-N 3.42Å
410M33.5Very low36.7Very low183 Ų183112.6 Ų112.690%0.90174%0.738SS**  trans86.156.5172.3-45.8-63.7178.900117.2
411L28.8Very low35.7Very low188 Ų188117.4 Ų117.498%0.98476%0.759SS**  trans-89102.8144.1-87.7162.2000107.6
412G30.5Very low34.5Very low66 Ų66122.2 Ų122.268%0.6877%0.766SS**  trans-141.578179.600000110.5
413N29.1Very low33.8Very low166 Ų166125.6 Ų125.689%0.88879%0.787SS**  trans40.993.6142.6-150.742.8000119.8
414S34.8Very low33.1Very low107 Ų107128 Ų12875%0.74880%0.797SS**  trans-176.599.7145.948.60000106.2
415G28.7Very low32.7Very low79 Ų79131.4 Ų131.481%0.81479%0.793SS**  81.160.358.400000109.9
416V32.9Very low32.5Very low131 Ų131133.9 Ų133.979%0.79480%0.796SS**  trans-133.5101.7165.2-155.20000108.4
417S30.1Very low32.5Very low112 Ų112138.9 Ų138.978%0.78380%0.8SS**  trans-77.3121.3169.954.80000109.4
418L27.6Very low32.6Very low140 Ų140136.5 Ų136.573%0.73379%0.791SS**  trans-137137.1157.5-126.987.7000106.6
419F30.3Very low32.9Very low205 Ų205138 Ų13890%0.89979%0.789SS**  trans86.891-177.3-57.2-80.9000116.3
420A36.2Very low33Very low100 Ų100141.7 Ų141.783%0.82680%0.795SS**  trans-139.6133.2146.500000108.9
421D35.8Very low33.3Very low158 Ų158137.3 Ų137.385%0.84578%0.78SS**  trans-47.3142.3-168.9-88-67.1000118.1
422H33.1Very low33.5Very low186 Ų186138.5 Ų138.586%0.86177%0.771SS**  trans-85.2114.8150.7-99.376.8000108.3
423S38.3Very low33.7Very low112 Ų112145.7 Ų145.778%0.78378%0.779SS**  trans-162119.7152.1-82.70000112.4
424N33.9Very low34Very low139 Ų139143.3 Ų143.374%0.74377%0.771SS**  trans74.1126145.4-102.313.7000123.8
425E35.1Very low34Very low142 Ų142147.8 Ų147.866%0.66478%0.777SS**  trans92.6105.9131.8-79.5177.8105.600121.2
426L34.4Very low34.4Very low123 Ų123147.7 Ų147.764%0.64477%0.769SS**  73114.9124.2-72.8158.8000119.3
427K35.7Very low34.6Very low170 Ų170148.1 Ų148.174%0.73977%0.767SS**  trans89.6105.5131.4-76.2173.5174.6171.90118.6
428T35.4Very low35Very low118 Ų118150.5 Ų150.572%0.72477%0.769SS**  86.5124.5120.754.10000120.9
429H36.2Very low35.7Very low174 Ų174146.8 Ų146.881%0.80676%0.764SS**  trans81.489.4143.7-86.4-76000120.1
430Q33.6Very low36.3Very low177 Ų177145.1 Ų145.183%0.82776%0.764SS**  40.8152.5110.4-78.3-96.5-22.500120.9
431P38.6Very low36.8Very low91 Ų91148.6 Ų148.659%0.59176%0.763SS**  -130.5-169.2-12639.1-19.9000114.4
432R33.1Very low37.2Very low213 Ų213148.7 Ų148.780%0.80476%0.763SS**  trans85122.1169.1-59-179170.8174.2-2.2115
433Y34.8Very low37.9Very low216 Ų216144.1 Ų144.185%0.84775%0.752SS**  -177.2142.299.7-98.3-78.9000111.6
434T35.2Very low38.4Very low116 Ų116147.3 Ų147.371%0.71275%0.754SS**  trans-53.2148.7168.4-34.80000113
435F34.9Very low39.2Very low202 Ų202144.4 Ų144.489%0.88675%0.75SS**  175.5150.9122.4-112.4-91.8000114
436A38Very low39.9Very low77 Ų77149.4 Ų149.464%0.63678%0.78SS**  trans-81.3157-179.600000114.6
437N37.1Very low40.2Very low139 Ų139150.8 Ų150.874%0.74379%0.787SS**  trans174.6121.7132-103.9-13.6000110.3
438I38.3Very low40.4Very low162 Ų162149.7 Ų149.783%0.83179%0.789SS**  67.5125.589.6-57.9177.9000115.1
439G42.1Very low40.7Very low62 Ų62151.5 Ų151.564%0.63979%0.793SS**  trans121.3137.2154.200000113.2
440L43Very low40.9Very low170 Ų170150.2 Ų150.289%0.8979%0.792SS**  cis-166.4160.313.2-106.2157000109.3
441H45.7Very low41.4Very low173 Ų173148.5 Ų148.580%0.80179%0.79SS**  trans-69156.1-179.2-73.153.9000115
442N43.8Very low41.6Very low160 Ų160152.3 Ų152.386%0.85680%0.803SS**  171.4147.1128.1-102.2-9.9000109.4
443S49Very low42.2Very low91 Ų91148 Ų14864%0.63680%0.803SS**  cis-169148.30.4-169.90000109
444H49.2Very low42.8Very low178 Ų178142.8 Ų142.882%0.82480%0.8SS**  trans38121146.7-90.3-126.6000121.5
445A50Low43.4Very low78 Ų78145 Ų14565%0.64581%0.807SS**  95.492.766.300000112.9
446L49.7Very low44.2Very low248 Ų248139.8 Ų139.8100%1.29880%0.8SS**  -175.40121-101.6166.5000109

Retrieved 446 of 446 residues in 85.7 ms (Link to these results)

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