A0A077ZLI3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZLI3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 196 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.2Low79.4Confident237 Ų23796 Ų96100%1.16749%0.488SS*.  0118.50-76.1-80.4-155.300108.4F3M1-F3 PolarHBondContact O-N 2.98Å
2Q72.7Confident80Confident159 Ų15988 Ų8874%0.74345%0.447SS*.  trans-8395.2176.9-75.1177.44.700109.5L4 S5Q2-L4 PolarHBondContact O-N 3.38Å; Q2-L4 VanDerWaalsContact O-N 3.12Å; Q2-S5 PolarHBondContact O-N 3.24Å; Q2-S5 PolarHBondContact O-OG 3.23Å
3F80.3Confident80.4Confident55 Ų5588 Ų8824%0.24145%0.445CS..G310 helixtrans-53.2-34.3179.9179.4-108000113.2M1 S5 L6 R11 I14 V15 L52M1-F3 PolarHBondContact O-N 2.98Å; F3-S5 VanDerWaalsContact C-N 3.31Å; F3-S5 PolarHBondContact O-N 3.18Å; F3-L6 HydrophobicContact CD2-CD1 4.48Å; F3-L6 WeakPolarHBondContact O-CB 3.4Å; F3-L6 PolarHBondContact O-N 2.87Å; F3-R11 HydrophobicContact CD2-CG 4.31Å; F3-R11 HydrophobicContact CE1-CB 4.28Å; F3-R11 HydrophobicContact CE1-CG 4.11Å; F3-R11 HydrophobicContact CE2-CB 3.76Å; F3-R11 HydrophobicContact CE2-CG 3.88Å; F3-R11 HydrophobicContact CZ-CB 3.55Å; F3-R11 HydrophobicContact CZ-CG 3.78Å; F3-R11 PolarHBondContact O-NE 3.3Å; F3-I14 HydrophobicContact CD2-CG2 4.38Å; F3-I14 HydrophobicContact CE2-CB 4.39Å; F3-I14 HydrophobicContact CE2-CG2 4.16Å; F3-V15 HydrophobicContact CE2-CG2 4.29Å; F3-V15 HydrophobicContact CZ-CG2 4.01Å; F3-L52 HydrophobicContact CD1-CD1 4.42Å; F3-L52 HydrophobicContact CE1-CB 4.49Å; F3-L52 HydrophobicContact CE1-CD1 4.09Å
4L80.3Confident80.9Confident111 Ų11184.1 Ų84.158%0.58143%0.425SS*.G310 helixtrans-71.9-16.9-179.7-62177.6000114.2Q2 L6 R11 L52Q2-L4 PolarHBondContact O-N 3.38Å; Q2-L4 VanDerWaalsContact O-N 3.12Å; L4-L6 VanDerWaalsContact C-N 3.29Å; L4-R11 PolarHBondContact O-NH2 3.42Å; L4-L52 HydrophobicContact CD2-CD1 3.94Å; L4-L52 HydrophobicContact CD2-CD2 3.69Å; L4-L52 HydrophobicContact CD2-CG 4.44Å
5S83.2Confident81.4Confident87 Ų8778.9 Ų78.961%0.60840%0.399SS*.G310 helixtrans-82.7-9.9175.467.60000113.2Q2 F3Q2-S5 PolarHBondContact O-N 3.24Å; Q2-S5 PolarHBondContact O-OG 3.23Å; F3-S5 VanDerWaalsContact C-N 3.31Å; F3-S5 PolarHBondContact O-N 3.18Å
6L84.7Confident81.8Confident55 Ų5580.8 Ų80.829%0.28840%0.404SS..SBendtrans-80.7151.3-178.7-58.9175.6000111.6F3 L4 R10 R11 I14F3-L6 HydrophobicContact CD2-CD1 4.48Å; F3-L6 WeakPolarHBondContact O-CB 3.4Å; F3-L6 PolarHBondContact O-N 2.87Å; L4-L6 VanDerWaalsContact C-N 3.29Å; L6-R10 HydrophobicContact CB-CB 4.25Å; L6-R10 HydrophobicContact CB-CG 4.25Å; L6-R10 HydrophobicContact CD1-CG 4.18Å; L6-R10 HydrophobicContact CD2-CG 4.23Å; L6-R10 HydrophobicContact CG-CG 4.48Å; L6-R11 HydrophobicContact CB-CG 4.03Å; L6-R11 PolarHBondContact O-NE 2.68Å; L6-R11 PolarHBondContact O-NH2 3.03Å; L6-I14 HydrophobicContact CD1-CD1 3.14Å
7T82.6Confident82.1Confident96 Ų9683.8 Ų83.859%0.58942%0.416SS*.  trans-60151.7170.867.30000110.2N9 R10 R11T7-N9 VanDerWaalsContact C-N 3.26Å; T7-N9 PolarHBondContact O-N 2.81Å; T7-R10 PolarHBondContact O-N 3.24Å; T7-R10 VanDerWaalsContact OG1-CB 3.31Å; T7-R10 WeakPolarHBondContact OG1-CB 3.31Å; T7-R10 PolarHBondContact OG1-N 2.9Å; T7-R11 WeakPolarHBondContact O-CG 3.24Å; T7-R11 PolarHBondContact O-N 2.96Å
8L83.6Confident82.4Confident58 Ų5885.9 Ų85.930%0.30443%0.425SS..Hα-helixtrans-58.8-37.6-177.3-64.7168.4000112.9R11 A12 L52 D55 S56L8-R11 WeakPolarHBondContact O-CB 3.47Å; L8-R11 PolarHBondContact O-N 3.35Å; L8-A12 PolarHBondContact O-N 2.9Å; L8-L52 WeakPolarHBondContact CD2-O 3.27Å; L8-D55 HydrophobicContact CD1-CB 3.42Å; L8-D55 VanDerWaalsContact CD1-CB 3.42Å; L8-S56 VanDerWaalsContact O-CB 3.31Å; L8-S56 WeakPolarHBondContact O-CB 3.31Å
9N80.6Confident82.7Confident63 Ų6383.9 Ų83.934%0.33743%0.428SS..Hα-helixtrans-64.9-43.2174-67.9-18.5000111.3T7 R11 A12 E13 S57T7-N9 VanDerWaalsContact C-N 3.26Å; T7-N9 PolarHBondContact O-N 2.81Å; N9-R11 VanDerWaalsContact C-N 3.28Å; N9-R11 PolarHBondContact O-N 3.11Å; N9-A12 PolarHBondContact O-N 3.4Å; N9-A12 VanDerWaalsContact O-N 3.15Å; N9-E13 WeakPolarHBondContact O-CG 3.49Å; N9-E13 PolarHBondContact O-N 3.16Å; N9-S57 WeakPolarHBondContact OD1-CB 3.45Å; N9-S57 PolarHBondContact OD1-N 3.29Å
10R84.2Confident83.1Confident99 Ų9981.2 Ų81.237%0.37442%0.416SS..Hα-helixtrans-65.3-33.9177.2-174.160.2-175.3156.48.8112L6 T7 E13 I14 E17L6-R10 HydrophobicContact CB-CB 4.25Å; L6-R10 HydrophobicContact CB-CG 4.25Å; L6-R10 HydrophobicContact CD1-CG 4.18Å; L6-R10 HydrophobicContact CD2-CG 4.23Å; L6-R10 HydrophobicContact CG-CG 4.48Å; T7-R10 PolarHBondContact O-N 3.24Å; T7-R10 VanDerWaalsContact OG1-CB 3.31Å; T7-R10 WeakPolarHBondContact OG1-CB 3.31Å; T7-R10 PolarHBondContact OG1-N 2.9Å; R10-E13 VanDerWaalsContact CD-OE2 3.25Å; R10-E13 WeakPolarHBondContact CD-OE2 3.4Å; R10-E13 IonicContact CZ-OE2 3.97Å; R10-E13 IonicContact NE-OE2 2.83Å; R10-E13 IonicContact NH1-OE2 3.92Å; R10-E13 PolarHBondContact NH1-OE2 3.24Å; R10-E13 PolarHBondContact O-N 3.32Å; R10-I14 HydrophobicContact CG-CD1 4.17Å; R10-I14 WeakPolarHBondContact O-CB 3.39Å; R10-I14 VanDerWaalsContact O-CG1 3.28Å; R10-I14 WeakPolarHBondContact O-CG1 3.46Å; R10-I14 PolarHBondContact O-N 3.44Å; R10-E17 IonicContact NH2-OE2 3.8Å
11R87.5Confident83.4Confident36 Ų3677.3 Ų77.314%0.13640%0.397CS..Hα-helixtrans-61.2-48.6171.2-66.3177.8-163.8178.20.1111.1F3 L4 L6 T7 L8 N9 E13 I14 V15 L52 L53F3-R11 HydrophobicContact CD2-CG 4.31Å; F3-R11 HydrophobicContact CE1-CB 4.28Å; F3-R11 HydrophobicContact CE1-CG 4.11Å; F3-R11 HydrophobicContact CE2-CB 3.76Å; F3-R11 HydrophobicContact CE2-CG 3.88Å; F3-R11 HydrophobicContact CZ-CB 3.55Å; F3-R11 HydrophobicContact CZ-CG 3.78Å; F3-R11 PolarHBondContact O-NE 3.3Å; L4-R11 PolarHBondContact O-NH2 3.42Å; L6-R11 HydrophobicContact CB-CG 4.03Å; L6-R11 PolarHBondContact O-NE 2.68Å; L6-R11 PolarHBondContact O-NH2 3.03Å; T7-R11 WeakPolarHBondContact O-CG 3.24Å; T7-R11 PolarHBondContact O-N 2.96Å; L8-R11 WeakPolarHBondContact O-CB 3.47Å; L8-R11 PolarHBondContact O-N 3.35Å; N9-R11 VanDerWaalsContact C-N 3.28Å; N9-R11 PolarHBondContact O-N 3.11Å; R11-E13 VanDerWaalsContact C-N 3.34Å; R11-E13 PolarHBondContact O-N 2.88Å; R11-I14 PolarHBondContact O-N 3.17Å; R11-V15 VanDerWaalsContact O-CG2 3.27Å; R11-V15 WeakPolarHBondContact O-CG2 3.09Å; R11-V15 PolarHBondContact O-N 3.01Å; R11-L52 PolarHBondContact NH1-O 3.01Å; R11-L53 HydrophobicContact CB-CD2 3.77Å
12A86.7Confident85.2Confident0 Ų066.8 Ų66.80%035%0.345CS..Hα-helixtrans-62.1-39.7177.300000112.6L8 N9 V15 K16 F22 L53 V59L8-A12 PolarHBondContact O-N 2.9Å; N9-A12 PolarHBondContact O-N 3.4Å; N9-A12 VanDerWaalsContact O-N 3.15Å; A12-V15 PolarHBondContact O-N 2.9Å; A12-K16 WeakPolarHBondContact O-CB 3.47Å; A12-K16 PolarHBondContact O-N 3.27Å; A12-F22 HydrophobicContact CB-CE1 4.14Å; A12-F22 VanDerWaalsContact O-CZ 3.3Å; A12-F22 WeakPolarHBondContact O-CZ 3.46Å; A12-L53 HydrophobicContact CB-CD2 4.32Å; A12-V59 HydrophobicContact CB-CG1 4.28Å; A12-V59 HydrophobicContact CB-CG2 4.11Å
13E86.1Confident86Confident88 Ų8859.3 Ų59.341%0.41131%0.31SS..Hα-helixtrans-60.5-44.7173.2-74171.6-171.500112.1N9 R10 R11 K16 E17N9-E13 WeakPolarHBondContact O-CG 3.49Å; N9-E13 PolarHBondContact O-N 3.16Å; R10-E13 VanDerWaalsContact CD-OE2 3.25Å; R10-E13 WeakPolarHBondContact CD-OE2 3.4Å; R10-E13 IonicContact CZ-OE2 3.97Å; R10-E13 IonicContact NE-OE2 2.83Å; R10-E13 IonicContact NH1-OE2 3.92Å; R10-E13 PolarHBondContact NH1-OE2 3.24Å; R10-E13 PolarHBondContact O-N 3.32Å; R11-E13 VanDerWaalsContact C-N 3.34Å; R11-E13 PolarHBondContact O-N 2.88Å; E13-K16 WeakPolarHBondContact O-CB 3.26Å; E13-K16 PolarHBondContact O-N 2.99Å; E13-E17 VanDerWaalsContact O-CB 3.31Å; E13-E17 WeakPolarHBondContact O-CB 3.4Å; E13-E17 PolarHBondContact O-N 3.28Å
14I86.8Confident86.5Confident34 Ų3457.8 Ų57.817%0.17431%0.306CS..Hα-helixtrans-65-44.6179-74170000111.1F3 L6 R10 R11 K16 E17 H18F3-I14 HydrophobicContact CD2-CG2 4.38Å; F3-I14 HydrophobicContact CE2-CB 4.39Å; F3-I14 HydrophobicContact CE2-CG2 4.16Å; L6-I14 HydrophobicContact CD1-CD1 3.14Å; R10-I14 HydrophobicContact CG-CD1 4.17Å; R10-I14 WeakPolarHBondContact O-CB 3.39Å; R10-I14 VanDerWaalsContact O-CG1 3.28Å; R10-I14 WeakPolarHBondContact O-CG1 3.46Å; R10-I14 PolarHBondContact O-N 3.44Å; R11-I14 PolarHBondContact O-N 3.17Å; I14-K16 PolarHBondContact O-N 2.85Å; I14-E17 PolarHBondContact O-N 2.81Å; I14-H18 PolarHBondContact O-N 3.46Å; I14-H18 PolarHBondContact O-ND1 3.19Å
15V88.6Confident87Confident5 Ų555 Ų553%0.0329%0.291CS..Hα-helixtrans-59.2-39.6176.11760000110F3 R11 A12 G19 C20 F22 L25 L53F3-V15 HydrophobicContact CE2-CG2 4.29Å; F3-V15 HydrophobicContact CZ-CG2 4.01Å; R11-V15 VanDerWaalsContact O-CG2 3.27Å; R11-V15 WeakPolarHBondContact O-CG2 3.09Å; R11-V15 PolarHBondContact O-N 3.01Å; A12-V15 PolarHBondContact O-N 2.9Å; V15-G19 PolarHBondContact O-N 3.45Å; V15-C20 HydrophobicContact CB-CB 4.48Å; V15-C20 HydrophobicContact CG1-CB 3.73Å; V15-C20 WeakPolarHBondContact CG1-O 3.25Å; V15-C20 PolarHBondContact O-N 3.46Å; V15-F22 HydrophobicContact CB-CD2 4.44Å; V15-F22 HydrophobicContact CB-CE1 4.22Å; V15-F22 HydrophobicContact CB-CE2 3.98Å; V15-F22 HydrophobicContact CB-CZ 3.86Å; V15-F22 HydrophobicContact CG1-CD1 4.13Å; V15-F22 HydrophobicContact CG1-CD2 3.38Å; V15-F22 HydrophobicContact CG1-CE1 4.06Å; V15-F22 HydrophobicContact CG1-CE2 3.32Å; V15-F22 HydrophobicContact CG1-CG 3.84Å; V15-F22 HydrophobicContact CG1-CZ 3.68Å; V15-L25 HydrophobicContact CG1-CD2 4.07Å; V15-L25 HydrophobicContact CG2-CD2 3.7Å; V15-L53 HydrophobicContact CG1-CD1 4.32Å; V15-L53 HydrophobicContact CG2-CD1 4.2Å; V15-L53 HydrophobicContact CG2-CD2 4.3Å
16K87.8Confident87.4Confident110 Ų11054.1 Ų54.148%0.47828%0.279SS..Hα-helixtrans-64.3-48.3173.7-168.6174.8175.4175.40112.5A12 E13 I14 H18 G19 F22 W60A12-K16 WeakPolarHBondContact O-CB 3.47Å; A12-K16 PolarHBondContact O-N 3.27Å; E13-K16 WeakPolarHBondContact O-CB 3.26Å; E13-K16 PolarHBondContact O-N 2.99Å; I14-K16 PolarHBondContact O-N 2.85Å; K16-H18 VanDerWaalsContact C-N 3.26Å; K16-H18 PolarHBondContact O-N 3.27Å; K16-G19 PolarHBondContact O-N 3.07Å; K16-G19 VanDerWaalsContact O-N 3.14Å; K16-F22 HydrophobicContact CB-CE2 4.34Å; K16-F22 HydrophobicContact CB-CZ 3.87Å; K16-W60 HydrophobicContact CG-CZ2 4.39Å
17E87Confident87.7Confident132 Ų13257.1 Ų57.162%0.61730%0.296SS*.Hα-helixtrans-61.6-36.4-176.9-175.8175.3-171.500111.6R10 E13 I14R10-E17 IonicContact NH2-OE2 3.8Å; E13-E17 VanDerWaalsContact O-CB 3.31Å; E13-E17 WeakPolarHBondContact O-CB 3.4Å; E13-E17 PolarHBondContact O-N 3.28Å; I14-E17 PolarHBondContact O-N 2.81Å
18H87.8Confident88.1Confident122 Ų12258.1 Ų58.157%0.56530%0.301SS*.THydrogen-bonded Turntrans-89.4-0.2179-64.971.7000113.3I14 K16 C20I14-H18 PolarHBondContact O-N 3.46Å; I14-H18 PolarHBondContact O-ND1 3.19Å; K16-H18 VanDerWaalsContact C-N 3.26Å; K16-H18 PolarHBondContact O-N 3.27Å; H18-C20 PolarHBondContact O-N 2.94Å
19G87Confident88.4Confident48 Ų4856.9 Ų56.950%0.49529%0.294SS..THydrogen-bonded Turntrans69.117.4-179.300000114.4V15 K16V15-G19 PolarHBondContact O-N 3.45Å; K16-G19 PolarHBondContact O-N 3.07Å; K16-G19 VanDerWaalsContact O-N 3.14Å
20C90.6Very high88.8Confident28 Ų2858.9 Ų58.919%0.18930%0.301CS..  trans-73.1148.1-177.6-60.20000112.1V15 H18 F22 D26V15-C20 HydrophobicContact CB-CB 4.48Å; V15-C20 HydrophobicContact CG1-CB 3.73Å; V15-C20 WeakPolarHBondContact CG1-O 3.25Å; V15-C20 PolarHBondContact O-N 3.46Å; H18-C20 PolarHBondContact O-N 2.94Å; C20-F22 WeakPolarHBondContact O-CD2 3.1Å; C20-F22 PolarHBondContact O-N 3.47Å; C20-D26 CarbonylContact C-O 3.43Å; C20-D26 WeakPolarHBondContact CA-O 3.45Å
21C90.5Very high88.8Confident0 Ų055.1 Ų55.10%029%0.292CS..  trans-59.8124.4171.8-178.50000110.1A23 C24 L25 D26 H29 A31C21-A23 PolarHBondContact O-N 3.45Å; C21-A23 PolarHBondContact SG-N 3.5Å; C21-A23 VanDerWaalsContact SG-N 3.43Å; C21-C24 WeakPolarHBondContact CB-SG 3.38Å; C21-C24 PolarHBondContact SG-SG 3.35Å; C21-L25 WeakPolarHBondContact O-CA 3.31Å; C21-L25 PolarHBondContact O-N 3.17Å; C21-D26 VanDerWaalsContact CB-O 3.26Å; C21-D26 WeakPolarHBondContact CB-O 3.46Å; C21-D26 PolarHBondContact N-O 3.48Å; C21-H29 WeakPolarHBondContact CA-O 3.39Å; C21-H29 WeakPolarHBondContact CB-O 3.41Å; C21-H29 PolarHBondContact N-O 3.1Å; C21-H29 VanDerWaalsContact SG-CD2 3.51Å; C21-H29 PolarHBondContact SG-NE2 3.3Å; C21-H29 VanDerWaalsContact SG-NE2 3.37Å; C21-A31 VanDerWaalsContact SG-CA 3.58Å
22F90Very high88.8Confident17 Ų1761.2 Ų61.28%0.07532%0.315CS..THydrogen-bonded Turntrans-72.7-12.5-179.9-81.6-116.4000113.3A12 V15 K16 C20 A31 R49 H50 L53 V59 W60A12-F22 HydrophobicContact CB-CE1 4.14Å; A12-F22 VanDerWaalsContact O-CZ 3.3Å; A12-F22 WeakPolarHBondContact O-CZ 3.46Å; V15-F22 HydrophobicContact CB-CD2 4.44Å; V15-F22 HydrophobicContact CB-CE1 4.22Å; V15-F22 HydrophobicContact CB-CE2 3.98Å; V15-F22 HydrophobicContact CB-CZ 3.86Å; V15-F22 HydrophobicContact CG1-CD1 4.13Å; V15-F22 HydrophobicContact CG1-CD2 3.38Å; V15-F22 HydrophobicContact CG1-CE1 4.06Å; V15-F22 HydrophobicContact CG1-CE2 3.32Å; V15-F22 HydrophobicContact CG1-CG 3.84Å; V15-F22 HydrophobicContact CG1-CZ 3.68Å; K16-F22 HydrophobicContact CB-CE2 4.34Å; K16-F22 HydrophobicContact CB-CZ 3.87Å; C20-F22 WeakPolarHBondContact O-CD2 3.1Å; C20-F22 PolarHBondContact O-N 3.47Å; F22-A31 HydrophobicContact CB-CB 4.08Å; F22-R49 CarbonylContact O-C 3.42Å; F22-R49 VanDerWaalsContact O-CA 3.29Å; F22-R49 WeakPolarHBondContact O-CA 3.33Å; F22-H50 WeakPolarHBondContact O-CB 3.4Å; F22-H50 PolarHBondContact O-N 2.96Å; F22-L53 HydrophobicContact CB-CD1 4.3Å; F22-L53 HydrophobicContact CD1-CD1 3.61Å; F22-L53 HydrophobicContact CE1-CD1 4.23Å; F22-L53 HydrophobicContact CG-CD1 4.16Å; F22-V59 HydrophobicContact CE1-CG2 4.18Å; F22-V59 HydrophobicContact CZ-CG2 4.49Å; F22-W60 HydrophobicContact CB-CH2 4.23Å; F22-W60 HydrophobicContact CB-CZ3 4.3Å; F22-W60 HydrophobicContact CD1-CE3 4.46Å; F22-W60 AromaticContact CD1-CH2 3.38Å; F22-W60 HydrophobicContact CD1-CH2 3.38Å; F22-W60 HydrophobicContact CD1-CZ2 4.48Å; F22-W60 AromaticContact CD1-CZ3 3.27Å; F22-W60 HydrophobicContact CD1-CZ3 3.27Å; F22-W60 AromaticContact CD2-CH2 3.09Å; F22-W60 HydrophobicContact CD2-CH2 3.09Å; F22-W60 AromaticContact CD2-CZ2 3.92Å; F22-W60 HydrophobicContact CD2-CZ2 3.92Å; F22-W60 AromaticContact CD2-CZ3 3.88Å; F22-W60 HydrophobicContact CD2-CZ3 3.88Å; F22-W60 HydrophobicContact CE1-CE3 4.31Å; F22-W60 AromaticContact CE1-CH2 3.27Å; F22-W60 HydrophobicContact CE1-CH2 3.27Å; F22-W60 HydrophobicContact CE1-CZ2 4.01Å; F22-W60 AromaticContact CE1-CZ3 3.34Å; F22-W60 HydrophobicContact CE1-CZ3 3.34Å; F22-W60 AromaticContact CE2-CH2 2.95Å; F22-W60 HydrophobicContact CE2-CH2 2.95Å; F22-W60 AromaticContact CE2-CZ2 3.34Å; F22-W60 HydrophobicContact CE2-CZ2 3.34Å; F22-W60 AromaticContact CE2-CZ3 3.92Å; F22-W60 HydrophobicContact CE2-CZ3 3.92Å; F22-W60 AromaticContact CG-CH2 3.27Å; F22-W60 HydrophobicContact CG-CH2 3.27Å; F22-W60 HydrophobicContact CG-CZ2 4.42Å; F22-W60 AromaticContact CG-CZ3 3.53Å; F22-W60 HydrophobicContact CG-CZ3 3.53Å; F22-W60 AromaticContact CZ-CH2 3.04Å; F22-W60 HydrophobicContact CZ-CH2 3.04Å; F22-W60 AromaticContact CZ-CZ2 3.39Å; F22-W60 HydrophobicContact CZ-CZ2 3.39Å; F22-W60 AromaticContact CZ-CZ3 3.65Å; F22-W60 HydrophobicContact CZ-CZ3 3.65Å
23A90.5Very high88.8Confident1 Ų166.9 Ų66.91%0.00834%0.341CS..THydrogen-bonded Turntrans-90.5-44.817800000112.9C21 A31 C34 L38 H50C21-A23 PolarHBondContact O-N 3.45Å; C21-A23 PolarHBondContact SG-N 3.5Å; C21-A23 VanDerWaalsContact SG-N 3.43Å; A23-A31 HydrophobicContact CB-CB 4.22Å; A23-C34 HydrophobicContact CB-CB 4.18Å; A23-L38 HydrophobicContact CB-CB 4.39Å; A23-L38 WeakPolarHBondContact O-CD1 3.19Å; A23-H50 WeakPolarHBondContact O-CA 3.18Å; A23-H50 WeakPolarHBondContact O-CB 3.28Å; A23-H50 PolarHBondContact O-CD2 2.88Å
24C91Very high89Confident24 Ų2463.5 Ų63.516%0.16233%0.327CS..THydrogen-bonded Turntrans-118.2-5.4-176.6670000115.2C21 D26 H29 L38C21-C24 WeakPolarHBondContact CB-SG 3.38Å; C21-C24 PolarHBondContact SG-SG 3.35Å; C24-D26 PolarHBondContact O-N 3.18Å; C24-D26 WeakPolarHBondContact SG-CB 3.48Å; C24-H29 PolarHBondContact SG-CE1 2.97Å; C24-H29 PolarHBondContact SG-NE2 2.88Å; C24-L38 HydrophobicContact CB-CD1 3.72Å
25L90.8Very high89Confident51 Ų5166.7 Ų66.727%0.26735%0.35SS..  trans66.810-176.7-50.3178.4000116.1V15 C21 H50 L52 L53V15-L25 HydrophobicContact CG1-CD2 4.07Å; V15-L25 HydrophobicContact CG2-CD2 3.7Å; C21-L25 WeakPolarHBondContact O-CA 3.31Å; C21-L25 PolarHBondContact O-N 3.17Å; L25-H50 HydrophobicContact CD2-CB 4.11Å; L25-H50 HydrophobicContact CG-CB 4.14Å; L25-L52 HydrophobicContact CD1-CD1 4.38Å; L25-L53 HydrophobicContact CD2-CD1 4.06Å
26D90.6Very high88.7Confident69 Ų6971.7 Ų71.737%0.36937%0.373SS..  trans-74143.5172.8-165.7-33000111.2C20 C21 C24 V28 H29C20-D26 CarbonylContact C-O 3.43Å; C20-D26 WeakPolarHBondContact CA-O 3.45Å; C21-D26 VanDerWaalsContact CB-O 3.26Å; C21-D26 WeakPolarHBondContact CB-O 3.46Å; C21-D26 PolarHBondContact N-O 3.48Å; C24-D26 PolarHBondContact O-N 3.18Å; C24-D26 WeakPolarHBondContact SG-CB 3.48Å; D26-V28 WeakPolarHBondContact OD1-CB 3.32Å; D26-V28 VanDerWaalsContact OD1-CG2 3.23Å; D26-V28 WeakPolarHBondContact OD1-CG2 3.24Å; D26-V28 PolarHBondContact OD1-N 3.36Å; D26-H29 IonicContact OD2-CE1 3.97Å
27D91.7Very high88.1Confident118 Ų11876.1 Ų76.163%0.63139%0.392SS*.SBendtrans-88.3-1.2-179.363.5-8.1000114.1
28V91.5Very high87.6Confident117 Ų11773 Ų7371%0.70938%0.379SS*.SBendtrans-79.5-24.3-176.91760000113.5D26D26-V28 WeakPolarHBondContact OD1-CB 3.32Å; D26-V28 VanDerWaalsContact OD1-CG2 3.23Å; D26-V28 WeakPolarHBondContact OD1-CG2 3.24Å; D26-V28 PolarHBondContact OD1-N 3.36Å
29H90.1Very high87.2Confident32 Ų3273.4 Ų73.415%0.14838%0.381CS..SBendtrans-152.2162.3-170.459.3-89.5000114C21 C24 D26 C34 P35C21-H29 WeakPolarHBondContact CA-O 3.39Å; C21-H29 WeakPolarHBondContact CB-O 3.41Å; C21-H29 PolarHBondContact N-O 3.1Å; C21-H29 VanDerWaalsContact SG-CD2 3.51Å; C21-H29 PolarHBondContact SG-NE2 3.3Å; C21-H29 VanDerWaalsContact SG-NE2 3.37Å; C24-H29 PolarHBondContact SG-CE1 2.97Å; C24-H29 PolarHBondContact SG-NE2 2.88Å; D26-H29 IonicContact OD2-CE1 3.97Å; H29-C34 VanDerWaalsContact CD2-CA 3.42Å; H29-C34 WeakPolarHBondContact CD2-CA 2.85Å; H29-C34 PolarHBondContact NE2-SG 3.26Å; H29-P35 WeakPolarHBondContact NE2-CD 3.48Å
30E87.1Confident87.1Confident105 Ų10571.6 Ų71.649%0.49136%0.361SS..  trans-86.4156173.4-63.2177.4-142.500112R32 H33 C34E30-R32 HydrophobicContact CB-CG 4.05Å; E30-R32 VanDerWaalsContact CD-NH2 3.32Å; E30-R32 PolarHBondContact O-N 3.3Å; E30-R32 IonicContact OE1-CZ 3.17Å; E30-R32 IonicContact OE1-NE 2.68Å; E30-R32 IonicContact OE1-NH2 2.91Å; E30-R32 PolarHBondContact OE1-NH2 3.12Å; E30-R32 IonicContact OE2-CZ 3.8Å; E30-R32 IonicContact OE2-NE 2.95Å; E30-R32 PolarHBondContact OE2-NE 3.05Å; E30-R32 IonicContact OE2-NH2 3.9Å; E30-R32 PolarHBondContact OE2-NH2 2.98Å; E30-H33 CarbonylContact O-C 3.54Å; E30-H33 WeakPolarHBondContact O-CA 3.42Å; E30-H33 PolarHBondContact O-N 2.74Å; E30-C34 PolarHBondContact O-N 3.43Å; E30-C34 VanDerWaalsContact O-N 3.14Å
31A86.1Confident86.7Confident21 Ų2175.6 Ų75.617%0.17438%0.381CS..G310 helixtrans-54.8-29.9-178.700000114.7C21 F22 A23 H33 C34C21-A31 VanDerWaalsContact SG-CA 3.58Å; F22-A31 HydrophobicContact CB-CB 4.08Å; A23-A31 HydrophobicContact CB-CB 4.22Å; A31-H33 VanDerWaalsContact C-N 3.32Å; A31-C34 WeakPolarHBondContact O-CB 3.27Å; A31-C34 PolarHBondContact O-N 3.11Å
32R85.5Confident86.3Confident163 Ų16376.8 Ų76.862%0.61539%0.389SS*.G310 helixtrans-67-31.1174.656.1172.8168.5164.83113.4E30E30-R32 HydrophobicContact CB-CG 4.05Å; E30-R32 VanDerWaalsContact CD-NH2 3.32Å; E30-R32 PolarHBondContact O-N 3.3Å; E30-R32 IonicContact OE1-CZ 3.17Å; E30-R32 IonicContact OE1-NE 2.68Å; E30-R32 IonicContact OE1-NH2 2.91Å; E30-R32 PolarHBondContact OE1-NH2 3.12Å; E30-R32 IonicContact OE2-CZ 3.8Å; E30-R32 IonicContact OE2-NE 2.95Å; E30-R32 PolarHBondContact OE2-NE 3.05Å; E30-R32 IonicContact OE2-NH2 3.9Å; E30-R32 PolarHBondContact OE2-NH2 2.98Å
33H88.2Confident85.9Confident119 Ų11981.8 Ų81.855%0.55142%0.423SS*.G310 helixtrans-10414.5179.6-54123.9000112.2E30 A31 P35E30-H33 CarbonylContact O-C 3.54Å; E30-H33 WeakPolarHBondContact O-CA 3.42Å; E30-H33 PolarHBondContact O-N 2.74Å; A31-H33 VanDerWaalsContact C-N 3.32Å; H33-P35 WeakPolarHBondContact O-CD 3.3Å
34C88.9Confident85.4Confident17 Ų1793.5 Ų93.512%0.11547%0.467CS..  trans-62.7118.8-178.6-168.90000110.5A23 H29 E30 A31 Q36A23-C34 HydrophobicContact CB-CB 4.18Å; H29-C34 VanDerWaalsContact CD2-CA 3.42Å; H29-C34 WeakPolarHBondContact CD2-CA 2.85Å; H29-C34 PolarHBondContact NE2-SG 3.26Å; E30-C34 PolarHBondContact O-N 3.43Å; E30-C34 VanDerWaalsContact O-N 3.14Å; A31-C34 WeakPolarHBondContact O-CB 3.27Å; A31-C34 PolarHBondContact O-N 3.11Å; C34-Q36 PolarHBondContact O-N 2.82Å; C34-Q36 PolarHBondContact SG-O 3.03Å
35P88.3Confident84.9Confident102 Ų10293 Ų9366%0.66246%0.464SS*.SBendtrans-67.6-26.9176.328.5-32.8000110.6H29 H33 K37H29-P35 WeakPolarHBondContact NE2-CD 3.48Å; H33-P35 WeakPolarHBondContact O-CD 3.3Å; P35-K37 PolarHBondContact O-N 3.19Å
36Q82.6Confident84.3Confident109 Ų10997.1 Ų97.151%0.50949%0.486SS..SBendtrans-77.4117.3170.7-52-161.5-25.400108.5C34 L38C34-Q36 PolarHBondContact O-N 2.82Å; C34-Q36 PolarHBondContact SG-O 3.03Å; Q36-L38 HydrophobicContact CB-CD1 3.96Å; Q36-L38 HydrophobicContact CB-CG 3.82Å; Q36-L38 PolarHBondContact O-N 2.85Å
37K74.2Confident83.8Confident203 Ų20398 Ų9888%0.88349%0.488SS*.  trans-72.243.1175.1-62.4-177.9-178.6179.70111.7P35 Q39P35-K37 PolarHBondContact O-N 3.19Å; K37-Q39 PolarHBondContact O-N 3.32Å
38L77.4Confident83.4Confident67 Ų6797.9 Ų97.935%0.35148%0.482SS..  trans-71114.3-180-70.8174000109.3A23 C24 Q36A23-L38 HydrophobicContact CB-CB 4.39Å; A23-L38 WeakPolarHBondContact O-CD1 3.19Å; C24-L38 HydrophobicContact CB-CD1 3.72Å; Q36-L38 HydrophobicContact CB-CD1 3.96Å; Q36-L38 HydrophobicContact CB-CG 3.82Å; Q36-L38 PolarHBondContact O-N 2.85Å
39Q79.5Confident83.1Confident130 Ų13094.3 Ų94.361%0.60746%0.456SS*.  trans-106.9152.3165.2-67.1-175.5-18.900108.1K37 D41K37-Q39 PolarHBondContact O-N 3.32Å; Q39-D41 PolarHBondContact O-N 2.87Å
40C84.1Confident83Confident10 Ų1095.3 Ų95.37%0.06846%0.46CS..  trans-62.5131.1176-173.10000109.9S42 C45 Q47 R49 H54C40-S42 VanDerWaalsContact C-N 3.29Å; C40-C45 HydrophobicContact CB-CB 3.78Å; C40-C45 VanDerWaalsContact CB-SG 3.53Å; C40-Q47 PolarHBondContact N-O 3.1Å; C40-Q47 VanDerWaalsContact N-O 3.12Å; C40-R49 HydrophobicContact CB-CG 3.84Å; C40-H54 PolarHBondContact SG-ND1 3.41Å
41D82.9Confident82.9Confident113 Ų11398.5 Ų98.560%0.60447%0.468SS*.  trans-82.8-4.5-18059.7-24.2000113.3Q39 R51Q39-D41 PolarHBondContact O-N 2.87Å; D41-R51 WeakPolarHBondContact OD1-CD 3.28Å; D41-R51 WeakPolarHBondContact OD1-CG 3.39Å; D41-R51 WeakPolarHBondContact OD2-CD 3.49Å; D41-R51 IonicContact OD2-NE 3.92Å
42S81.7Confident82.9Confident25 Ų25100 Ų10018%0.17547%0.473CS..SBendtrans-67.7137.1177.3-65.40000111.9C40 R44 C45 H54C40-S42 VanDerWaalsContact C-N 3.29Å; S42-R44 PolarHBondContact O-N 3.26Å; S42-C45 WeakPolarHBondContact O-CB 3.38Å; S42-C45 PolarHBondContact O-N 3.19Å; S42-H54 WeakPolarHBondContact CB-CE1 3.47Å; S42-H54 WeakPolarHBondContact CB-ND1 3.47Å; S42-H54 VanDerWaalsContact CB-NE2 3.31Å; S42-H54 WeakPolarHBondContact CB-NE2 3.27Å; S42-H54 PolarHBondContact OG-CD2 3.02Å; S42-H54 PolarHBondContact OG-ND1 3.38Å; S42-H54 PolarHBondContact OG-NE2 2.9Å
43P81Confident83Confident122 Ų12292.2 Ų92.279%0.79244%0.443SS*.THydrogen-bonded Turntrans-52.5131174.1-24.632.9000111.4C45P43-C45 VanDerWaalsContact C-N 3.34Å
44R80.7Confident82.8Confident247 Ų24788.4 Ų88.493%0.93243%0.426SS*.THydrogen-bonded Turntrans69.718.5-178-48.7-178.4175.4-178.3-1.7115.7S42S42-R44 PolarHBondContact O-N 3.26Å
45C80.2Confident82.1Confident14 Ų1493.1 Ų93.110%0.09545%0.45CS..  trans-109.7109.2172-156.20000112.5C40 S42 P43 H54C40-C45 HydrophobicContact CB-CB 3.78Å; C40-C45 VanDerWaalsContact CB-SG 3.53Å; S42-C45 WeakPolarHBondContact O-CB 3.38Å; S42-C45 PolarHBondContact O-N 3.19Å; P43-C45 VanDerWaalsContact C-N 3.34Å; C45-H54 VanDerWaalsContact CB-CE1 3.41Å; C45-H54 WeakPolarHBondContact CB-CE1 3.34Å; C45-H54 VanDerWaalsContact SG-CE1 3.56Å; C45-H54 PolarHBondContact SG-ND1 2.61Å
46N78.5Confident81.2Confident137 Ų13788.8 Ų88.873%0.73342%0.422SS*.  trans-101.320.8176.2-61.6-18000112.5
47Q80.4Confident80.1Confident88 Ų8887.4 Ų87.441%0.41142%0.424SS..SBendtrans-96.3142.5-171.7-64.6-70.8-43.400111C40 R49C40-Q47 PolarHBondContact N-O 3.1Å; C40-Q47 VanDerWaalsContact N-O 3.12Å; Q47-R49 VanDerWaalsContact C-N 3.28Å; Q47-R49 HydrophobicContact CB-CG 4.24Å; Q47-R49 PolarHBondContact O-N 3.24Å
48K81.9Confident79.3Confident115 Ų11582 Ų8250%0.540%0.402SS..SBendtrans-74.479.9171.7-67.9-174.4-178.8-179.40110
49R86.4Confident77.9Confident41 Ų4180.9 Ų80.916%0.15540%0.398CS..  trans-142.5149.3178.366-17868.4174.20.9111.3F22 C40 Q47 H54F22-R49 CarbonylContact O-C 3.42Å; F22-R49 VanDerWaalsContact O-CA 3.29Å; F22-R49 WeakPolarHBondContact O-CA 3.33Å; C40-R49 HydrophobicContact CB-CG 3.84Å; Q47-R49 VanDerWaalsContact C-N 3.28Å; Q47-R49 HydrophobicContact CB-CG 4.24Å; Q47-R49 PolarHBondContact O-N 3.24Å; R49-H54 PolarHBondContact NH1-O 2.88Å
50H87.5Confident76.3Confident53 Ų5379.9 Ų79.925%0.24539%0.389CS..  trans-68142.2174.8-166.8-91.5000109.3F22 A23 L25 L52 L53 H54F22-H50 WeakPolarHBondContact O-CB 3.4Å; F22-H50 PolarHBondContact O-N 2.96Å; A23-H50 WeakPolarHBondContact O-CA 3.18Å; A23-H50 WeakPolarHBondContact O-CB 3.28Å; A23-H50 PolarHBondContact O-CD2 2.88Å; L25-H50 HydrophobicContact CD2-CB 4.11Å; L25-H50 HydrophobicContact CG-CB 4.14Å; H50-L52 WeakPolarHBondContact ND1-CB 3.41Å; H50-L52 WeakPolarHBondContact ND1-CG 3.43Å; H50-L52 PolarHBondContact ND1-N 3.04Å; H50-L52 PolarHBondContact O-N 3.39Å; H50-L53 HydrophobicContact CB-CD1 4.44Å; H50-L53 HydrophobicContact CB-CG 4.46Å; H50-L53 WeakPolarHBondContact O-CA 3.37Å; H50-L53 WeakPolarHBondContact O-CB 3.47Å; H50-L53 PolarHBondContact O-N 3.4Å; H50-H54 PolarHBondContact O-N 2.91Å
51R85.9Confident74.2Confident173 Ų17385.1 Ų85.165%0.65342%0.423SS*.G310 helixtrans-51.9-35.4-179.4-176.9-178.9176-125-2.2113.1D41 L53 H54D41-R51 WeakPolarHBondContact OD1-CD 3.28Å; D41-R51 WeakPolarHBondContact OD1-CG 3.39Å; D41-R51 WeakPolarHBondContact OD2-CD 3.49Å; D41-R51 IonicContact OD2-NE 3.92Å; R51-L53 PolarHBondContact O-N 3.33Å; R51-L53 VanDerWaalsContact O-N 3.13Å; R51-H54 WeakPolarHBondContact O-CB 3.33Å; R51-H54 PolarHBondContact O-N 3.26Å
52L86.1Confident72.3Confident51 Ų5184 Ų8427%0.26742%0.42SS..G310 helixtrans-65.8-11.1177.2-62.3177.5000114.8F3 L4 L8 R11 L25 H50F3-L52 HydrophobicContact CD1-CD1 4.42Å; F3-L52 HydrophobicContact CE1-CB 4.49Å; F3-L52 HydrophobicContact CE1-CD1 4.09Å; L4-L52 HydrophobicContact CD2-CD1 3.94Å; L4-L52 HydrophobicContact CD2-CD2 3.69Å; L4-L52 HydrophobicContact CD2-CG 4.44Å; L8-L52 WeakPolarHBondContact CD2-O 3.27Å; R11-L52 PolarHBondContact NH1-O 3.01Å; L25-L52 HydrophobicContact CD1-CD1 4.38Å; H50-L52 WeakPolarHBondContact ND1-CB 3.41Å; H50-L52 WeakPolarHBondContact ND1-CG 3.43Å; H50-L52 PolarHBondContact ND1-N 3.04Å; H50-L52 PolarHBondContact O-N 3.39Å
53L86.6Confident70.4Confident1 Ų192 Ų921%0.00545%0.452CS..G310 helixtrans-115.73.4-180-55.4179.1000112.7R11 A12 V15 F22 L25 H50 R51 D55 S56R11-L53 HydrophobicContact CB-CD2 3.77Å; A12-L53 HydrophobicContact CB-CD2 4.32Å; V15-L53 HydrophobicContact CG1-CD1 4.32Å; V15-L53 HydrophobicContact CG2-CD1 4.2Å; V15-L53 HydrophobicContact CG2-CD2 4.3Å; F22-L53 HydrophobicContact CB-CD1 4.3Å; F22-L53 HydrophobicContact CD1-CD1 3.61Å; F22-L53 HydrophobicContact CE1-CD1 4.23Å; F22-L53 HydrophobicContact CG-CD1 4.16Å; L25-L53 HydrophobicContact CD2-CD1 4.06Å; H50-L53 HydrophobicContact CB-CD1 4.44Å; H50-L53 HydrophobicContact CB-CG 4.46Å; H50-L53 WeakPolarHBondContact O-CA 3.37Å; H50-L53 WeakPolarHBondContact O-CB 3.47Å; H50-L53 PolarHBondContact O-N 3.4Å; R51-L53 PolarHBondContact O-N 3.33Å; R51-L53 VanDerWaalsContact O-N 3.13Å; L53-D55 PolarHBondContact O-N 2.95Å; L53-S56 WeakPolarHBondContact O-CB 3.33Å; L53-S56 PolarHBondContact O-N 3.36Å; L53-S56 PolarHBondContact O-OG 3.2Å
54H83.3Confident68.5Low39 Ų3991.8 Ų91.818%0.18145%0.448CS..THydrogen-bonded Turntrans-48.7-53.2-172.6172.860.5000113.1C40 S42 C45 R49 H50 R51C40-H54 PolarHBondContact SG-ND1 3.41Å; S42-H54 WeakPolarHBondContact CB-CE1 3.47Å; S42-H54 WeakPolarHBondContact CB-ND1 3.47Å; S42-H54 VanDerWaalsContact CB-NE2 3.31Å; S42-H54 WeakPolarHBondContact CB-NE2 3.27Å; S42-H54 PolarHBondContact OG-CD2 3.02Å; S42-H54 PolarHBondContact OG-ND1 3.38Å; S42-H54 PolarHBondContact OG-NE2 2.9Å; C45-H54 VanDerWaalsContact CB-CE1 3.41Å; C45-H54 WeakPolarHBondContact CB-CE1 3.34Å; C45-H54 VanDerWaalsContact SG-CE1 3.56Å; C45-H54 PolarHBondContact SG-ND1 2.61Å; R49-H54 PolarHBondContact NH1-O 2.88Å; H50-H54 PolarHBondContact O-N 2.91Å; R51-H54 WeakPolarHBondContact O-CB 3.33Å; R51-H54 PolarHBondContact O-N 3.26Å
55D73.9Confident66.6Low116 Ų11686.6 Ų86.662%0.6244%0.439SS*.THydrogen-bonded Turntrans-95.312.5-177.7-79.3-26.2000113.4L8 L53 S57L8-D55 HydrophobicContact CD1-CB 3.42Å; L8-D55 VanDerWaalsContact CD1-CB 3.42Å; L53-D55 PolarHBondContact O-N 2.95Å; D55-S57 PolarHBondContact O-N 3.01Å
56S70.9Confident64.5Low11 Ų1191.7 Ų91.78%0.07747%0.474CS..SBendtrans-67.6129.9167.765.90000108.7L8 L53 Q58L8-S56 VanDerWaalsContact O-CB 3.31Å; L8-S56 WeakPolarHBondContact O-CB 3.31Å; L53-S56 WeakPolarHBondContact O-CB 3.33Å; L53-S56 PolarHBondContact O-N 3.36Å; L53-S56 PolarHBondContact O-OG 3.2Å; S56-Q58 PolarHBondContact O-N 3.01Å; S56-Q58 VanDerWaalsContact O-N 3.08Å
57S59.4Low62.6Low80 Ų8093.3 Ų93.356%0.55948%0.477SS*.  trans-54.8121.6170.7-71.30000106.9N9 D55 V59N9-S57 WeakPolarHBondContact OD1-CB 3.45Å; N9-S57 PolarHBondContact OD1-N 3.29Å; D55-S57 PolarHBondContact O-N 3.01Å; S57-V59 WeakPolarHBondContact O-CG1 3.31Å; S57-V59 PolarHBondContact O-N 3.19Å
58Q57.3Low60.5Low88 Ų8893.6 Ų93.641%0.41149%0.494SS..  trans-54.3105-173.1-170.9179.4-48.300109.6S56 W60 T62S56-Q58 PolarHBondContact O-N 3.01Å; S56-Q58 VanDerWaalsContact O-N 3.08Å; Q58-W60 WeakPolarHBondContact CG-O 3.42Å; Q58-W60 PolarHBondContact NE2-O 2.91Å; Q58-W60 PolarHBondContact O-N 2.85Å; Q58-T62 PolarHBondContact NE2-OG1 3.05Å
59V48.7Very low58.5Low45 Ų4595 Ų9527%0.27351%0.513SS..  trans-73.416.5-176.8-69.30000113A12 F22 S57A12-V59 HydrophobicContact CB-CG1 4.28Å; A12-V59 HydrophobicContact CB-CG2 4.11Å; F22-V59 HydrophobicContact CE1-CG2 4.18Å; F22-V59 HydrophobicContact CZ-CG2 4.49Å; S57-V59 WeakPolarHBondContact O-CG1 3.31Å; S57-V59 PolarHBondContact O-N 3.19Å
60W45.6Very low56.1Low109 Ų10997.3 Ų97.341%0.41354%0.54SS..SBendtrans-142.6143.7176.1-60.6-78.9000114.2K16 F22 Q58 T62K16-W60 HydrophobicContact CG-CZ2 4.39Å; F22-W60 HydrophobicContact CB-CH2 4.23Å; F22-W60 HydrophobicContact CB-CZ3 4.3Å; F22-W60 HydrophobicContact CD1-CE3 4.46Å; F22-W60 AromaticContact CD1-CH2 3.38Å; F22-W60 HydrophobicContact CD1-CH2 3.38Å; F22-W60 HydrophobicContact CD1-CZ2 4.48Å; F22-W60 AromaticContact CD1-CZ3 3.27Å; F22-W60 HydrophobicContact CD1-CZ3 3.27Å; F22-W60 AromaticContact CD2-CH2 3.09Å; F22-W60 HydrophobicContact CD2-CH2 3.09Å; F22-W60 AromaticContact CD2-CZ2 3.92Å; F22-W60 HydrophobicContact CD2-CZ2 3.92Å; F22-W60 AromaticContact CD2-CZ3 3.88Å; F22-W60 HydrophobicContact CD2-CZ3 3.88Å; F22-W60 HydrophobicContact CE1-CE3 4.31Å; F22-W60 AromaticContact CE1-CH2 3.27Å; F22-W60 HydrophobicContact CE1-CH2 3.27Å; F22-W60 HydrophobicContact CE1-CZ2 4.01Å; F22-W60 AromaticContact CE1-CZ3 3.34Å; F22-W60 HydrophobicContact CE1-CZ3 3.34Å; F22-W60 AromaticContact CE2-CH2 2.95Å; F22-W60 HydrophobicContact CE2-CH2 2.95Å; F22-W60 AromaticContact CE2-CZ2 3.34Å; F22-W60 HydrophobicContact CE2-CZ2 3.34Å; F22-W60 AromaticContact CE2-CZ3 3.92Å; F22-W60 HydrophobicContact CE2-CZ3 3.92Å; F22-W60 AromaticContact CG-CH2 3.27Å; F22-W60 HydrophobicContact CG-CH2 3.27Å; F22-W60 HydrophobicContact CG-CZ2 4.42Å; F22-W60 AromaticContact CG-CZ3 3.53Å; F22-W60 HydrophobicContact CG-CZ3 3.53Å; F22-W60 AromaticContact CZ-CH2 3.04Å; F22-W60 HydrophobicContact CZ-CH2 3.04Å; F22-W60 AromaticContact CZ-CZ2 3.39Å; F22-W60 HydrophobicContact CZ-CZ2 3.39Å; F22-W60 AromaticContact CZ-CZ3 3.65Å; F22-W60 HydrophobicContact CZ-CZ3 3.65Å; Q58-W60 WeakPolarHBondContact CG-O 3.42Å; Q58-W60 PolarHBondContact NE2-O 2.91Å; Q58-W60 PolarHBondContact O-N 2.85Å; W60-T62 PolarHBondContact O-N 3.08Å
61P39.7Very low53.8Low120 Ų120102 Ų10278%0.77957%0.567SS**  trans-67.8119.6160.728.5-29.1000108.8K63P61-K63 PolarHBondContact O-N 3.1Å; P61-K63 VanDerWaalsContact O-N 3.08Å
62T42Very low51.4Low88 Ų8898.7 Ų98.754%0.5457%0.571SS.*  trans-60.3112.1167.2-48.50000107.6Q58 W60 V64Q58-T62 PolarHBondContact NE2-OG1 3.05Å; W60-T62 PolarHBondContact O-N 3.08Å; T62-V64 PolarHBondContact O-N 3.22Å; T62-V64 VanDerWaalsContact O-N 3.16Å
63K43.3Very low48.9Very low194 Ų194100.1 Ų100.184%0.84360%0.598SS**  trans-67109158.8-75-175177-175.70105.9P61 D65P61-K63 PolarHBondContact O-N 3.1Å; P61-K63 VanDerWaalsContact O-N 3.08Å; K63-D65 PolarHBondContact O-N 2.94Å
64V40.8Very low46.2Very low117 Ų117104.1 Ų104.171%0.70964%0.639SS**  trans-72.1120.7171.6-172.10000106.6T62 S66T62-V64 PolarHBondContact O-N 3.22Å; T62-V64 VanDerWaalsContact O-N 3.16Å; V64-S66 PolarHBondContact O-N 3.23Å
65D39.4Very low43.9Very low139 Ų139107 Ų10774%0.74366%0.663SS**  trans-55.3111.7175.2-73.6-44.5000109.3K63 H67K63-D65 PolarHBondContact O-N 2.94Å; D65-H67 PolarHBondContact O-N 2.75Å
66S36.3Very low42.3Very low121 Ų121111.2 Ų111.285%0.84668%0.679SS**  trans-76.972.9173.7-59.60000108.9V64V64-S66 PolarHBondContact O-N 3.23Å
67H40.4Very low40.7Very low170 Ų170116 Ų11679%0.78771%0.708SS**  trans-132.181.3170.6-78.8-69.8000109.3D65D65-H67 PolarHBondContact O-N 2.75Å
68A35.2Very low40Very low94 Ų94116.8 Ų116.878%0.77772%0.719SS**  trans163.771.3143.700000112
69V40.8Very low39.2Very low146 Ų146118.8 Ų118.889%0.88574%0.738SS**  trans-147.8101.5140.6-173.10000107.2
70A36.2Very low39.3Very low89 Ų89121.6 Ų121.674%0.73675%0.75SS**  trans-63155.5162.900000110
71N37.4Very low39.4Very low151 Ų151119.9 Ų119.981%0.80777%0.766SS**  trans93.498.9160-116.246000118.4
72S36.3Very low39.8Very low104 Ų104119.6 Ų119.673%0.72776%0.762SS**  79.1105.7126.4-47.50000119.9
73G33.5Very low40.1Very low81 Ų81122.8 Ų122.884%0.83578%0.776SS**  trans97.494137.800000117.5
74G29.4Very low40.1Very low84 Ų84119.7 Ų119.787%0.86677%0.774SS**  trans5585.8140.600000119.4
75S36.5Very low40.3Very low99 Ų99118.4 Ų118.469%0.69277%0.766SS**  trans-166.6119.8141.8-169.50000109.9T77S75-T77 VanDerWaalsContact C-N 3.34Å; S75-T77 PolarHBondContact O-N 3.12Å; S75-T77 VanDerWaalsContact O-N 3.08Å
76H38.8Very low40.7Very low205 Ų205119.9 Ų119.995%0.94977%0.774SS**  trans-76.785169.6-78.5-56.7000109.2
77T38.5Very low41.1Very low112 Ų112124 Ų12469%0.68777%0.771SS**  trans-89.7108.7165.131.50000109.3S75 T79S75-T77 VanDerWaalsContact C-N 3.34Å; S75-T77 PolarHBondContact O-N 3.12Å; S75-T77 VanDerWaalsContact O-N 3.08Å; T77-T79 PolarHBondContact O-N 3.11Å; T77-T79 VanDerWaalsContact O-N 3.17Å
78A44.3Very low41.3Very low96 Ų96122.7 Ų122.779%0.79377%0.774SS**  trans-72.4101.6168.300000108.9I80A78-I80 PolarHBondContact O-N 3.06Å; A78-I80 VanDerWaalsContact O-N 3.16Å
79T40.1Very low41.6Very low131 Ų131121.6 Ų121.680%0.80476%0.761SS**  trans-70.7108.4175-50.90000109.7T77 G81T77-T79 PolarHBondContact O-N 3.11Å; T77-T79 VanDerWaalsContact O-N 3.17Å; T79-G81 PolarHBondContact O-N 2.83Å
80I50.3Low41.8Very low103 Ų103121.2 Ų121.253%0.52875%0.753SS.*  trans-69.9123.2172.6-63167.2000108.1A78 T82 H174A78-I80 PolarHBondContact O-N 3.06Å; A78-I80 VanDerWaalsContact O-N 3.16Å; I80-T82 PolarHBondContact O-N 2.92Å; I80-T82 VanDerWaalsContact O-N 3.11Å; I80-H174 HydrophobicContact CD1-CB 3.62Å; I80-H174 HydrophobicContact CG1-CB 4.3Å
81G47.9Very low42.6Very low73 Ų73122.5 Ų122.575%0.75376%0.755SS**  trans-59.8111.1-174.900000112.9T79T79-G81 PolarHBondContact O-N 2.83Å
82T47.7Very low44Very low114 Ų114120.7 Ų120.770%0.69975%0.745SS**  trans-95.2125.6164.461.10000108.4I80 T84I80-T82 PolarHBondContact O-N 2.92Å; I80-T82 VanDerWaalsContact O-N 3.11Å; T82-T84 PolarHBondContact O-N 2.84Å; T82-T84 VanDerWaalsContact O-N 3.15Å
83N48.9Very low45.9Very low155 Ų155118.7 Ų118.783%0.82973%0.731SS**  trans-76.696.7168.2-69.8-33000107.3V85N83-V85 HydrophobicContact CB-CG2 4.38Å; N83-V85 PolarHBondContact O-N 2.89Å
84T43.8Very low47.7Very low129 Ų129118.2 Ų118.279%0.79171%0.712SS**  trans-73.879.2167.955.50000108.4T82T82-T84 PolarHBondContact O-N 2.84Å; T82-T84 VanDerWaalsContact O-N 3.15Å
85V45.7Very low49.9Very low91 Ų91116 Ų11655%0.55268%0.68SS**  trans-71.1129.4161.6-163.10000105.7N83 R87N83-V85 HydrophobicContact CB-CG2 4.38Å; N83-V85 PolarHBondContact O-N 2.89Å; V85-R87 CarbonylContact O-C 3.5Å; V85-R87 PolarHBondContact O-N 3.32Å
86D46.1Very low51.8Low169 Ų169114.7 Ų114.790%0.90467%0.668SS**SBendtrans-6722.9-175.9-145.33.5000114
87R46.2Very low53.7Low207 Ų207105.2 Ų105.278%0.78163%0.625SS**SBendtrans-150.6126.6165.3-68.6-170.8166.3162.6-7.7106V85 S89V85-R87 CarbonylContact O-C 3.5Å; V85-R87 PolarHBondContact O-N 3.32Å; R87-S89 PolarHBondContact O-N 3.17Å
88V43.5Very low55.6Low143 Ų143102 Ų10287%0.86761%0.605SS**  trans-64.576.5-175.7-172.70000111.1I90V88-I90 HydrophobicContact CG1-CG1 4.46Å
89S42.4Very low57.4Low72 Ų7297.6 Ų97.650%0.50357%0.569SS.*  trans-10299.9169.3620000108.3R87 C91R87-S89 PolarHBondContact O-N 3.17Å; S89-C91 PolarHBondContact O-N 3.16Å
90I45Very low59.4Low137 Ų13795.6 Ų95.670%0.70355%0.552SS**  trans-78.7110.2170.9-60.4172.9000106.9V88 L92V88-I90 HydrophobicContact CG1-CG1 4.46Å; I90-L92 HydrophobicContact CG2-CD2 4Å; I90-L92 HydrophobicContact CG2-CG 4.25Å; I90-L92 PolarHBondContact O-N 3.44Å
91C53Low60.9Low117 Ų11791.5 Ų91.579%0.79153%0.534SS*.  trans-84.5106.4172.4-63.10000109.3S89S89-C91 PolarHBondContact O-N 3.16Å
92L67Low62.7Low112 Ų11292.8 Ų92.859%0.58652%0.524SS*.  trans-84.4142.7170.2-66.3179.4000110.1I90 V94 L111I90-L92 HydrophobicContact CG2-CD2 4Å; I90-L92 HydrophobicContact CG2-CG 4.25Å; I90-L92 PolarHBondContact O-N 3.44Å; L92-V94 VanDerWaalsContact C-N 3.28Å; L92-V94 HydrophobicContact CB-CG2 3.75Å; L92-V94 PolarHBondContact O-N 3.11Å; L92-L111 HydrophobicContact CB-CD1 3.69Å; L92-L111 HydrophobicContact CD1-CD1 4.19Å; L92-L111 HydrophobicContact CD2-CD1 4.22Å; L92-L111 HydrophobicContact CG-CD1 4.25Å
93S74.7Confident64.5Low62 Ų6295.9 Ų95.943%0.43454%0.536SS..  trans-73.984.7173.1-68.20000109.1L112S93-L112 WeakPolarHBondContact O-CB 3.33Å; S93-L112 PolarHBondContact O-N 2.92Å
94V72.7Confident66.3Low71 Ų7194.5 Ų94.543%0.4352%0.519SS..EExtended strand (participates in β ladder)trans-108.3134-178.4-178.90000109.7L92 Y109 A110 L111L92-V94 VanDerWaalsContact C-N 3.28Å; L92-V94 HydrophobicContact CB-CG2 3.75Å; L92-V94 PolarHBondContact O-N 3.11Å; V94-Y109 HydrophobicContact CG1-CD1 3.99Å; V94-Y109 HydrophobicContact CG1-CG 4.18Å; V94-A110 CarbonylContact C-O 3.55Å; V94-A110 WeakPolarHBondContact CA-O 3.5Å; V94-L111 HydrophobicContact CG2-CD1 4.07Å
95I75.9Confident68.1Low39 Ų3992.5 Ų92.520%0.251%0.51CS..EExtended strand (participates in β ladder)trans-125.4144.9178.555159.4000111.3V97 Y109 A110 L112 S150I95-V97 HydrophobicContact CD1-CG1 3.76Å; I95-V97 HydrophobicContact CG1-CG1 3.95Å; I95-Y109 CarbonylContact O-C 3.6Å; I95-Y109 VanDerWaalsContact O-CA 3.31Å; I95-Y109 WeakPolarHBondContact O-CA 3.34Å; I95-A110 HydrophobicContact CG1-CB 4.2Å; I95-A110 PolarHBondContact N-O 2.68Å; I95-A110 PolarHBondContact O-N 2.95Å; I95-L112 HydrophobicContact CD1-CD1 4.28Å; I95-L112 HydrophobicContact CD1-CD2 3.69Å; I95-L112 HydrophobicContact CD1-CG 4.09Å; I95-L112 HydrophobicContact CG1-CD1 4.29Å; I95-L112 HydrophobicContact CG1-CD2 4.05Å; I95-L112 HydrophobicContact CG1-CG 3.96Å; I95-L112 HydrophobicContact CG2-CD1 3.71Å; I95-L112 HydrophobicContact CG2-CG 4.23Å; I95-S150 VanDerWaalsContact CD1-OG 3.27Å; I95-S150 WeakPolarHBondContact CD1-OG 3.46Å
96P76.4Confident69.9Low70 Ų7090.5 Ų90.546%0.45550%0.496SS..EExtended strand (participates in β ladder)trans-67.4139.9167.129.9-33.6000109.7Y109P96-Y109 HydrophobicContact CB-CD1 4.36Å; P96-Y109 HydrophobicContact CB-CE1 4.17Å
97V78.7Confident71.7Confident6 Ų690.5 Ų90.54%0.03649%0.49CS..EExtended strand (participates in β ladder)trans-140.6152.5-179.6-63.40000111.2I95 V99 Q107 S108 A110 V148 I149I95-V97 HydrophobicContact CD1-CG1 3.76Å; I95-V97 HydrophobicContact CG1-CG1 3.95Å; V97-V99 HydrophobicContact CG2-CG2 4.13Å; V97-Q107 WeakPolarHBondContact O-CA 3.44Å; V97-S108 PolarHBondContact N-O 2.91Å; V97-S108 PolarHBondContact O-N 3.41Å; V97-A110 HydrophobicContact CB-CB 4.47Å; V97-A110 HydrophobicContact CG1-CB 3.67Å; V97-A110 HydrophobicContact CG2-CB 3.93Å; V97-V148 HydrophobicContact CB-CG1 3.43Å; V97-V148 VanDerWaalsContact CB-CG1 3.43Å; V97-V148 HydrophobicContact CG1-CG1 3.55Å; V97-V148 HydrophobicContact CG2-CG1 3.8Å; V97-I149 WeakPolarHBondContact CA-O 3.45Å
98T78.3Confident73.6Confident44 Ų4482.7 Ų82.727%0.2747%0.468SS..EExtended strand (participates in β ladder)trans-108.4121.8162.9-56.50000108L100 I149T98-L100 HydrophobicContact CG2-CD1 3.76Å; T98-L100 HydrophobicContact CG2-CG 4.47Å; T98-I149 PolarHBondContact N-O 2.7Å; T98-I149 PolarHBondContact O-N 2.86Å
99V82.1Confident75.4Confident4 Ų484.2 Ų84.22%0.02446%0.459CS..EExtended strand (participates in β ladder)trans-97.2126176.2-170.20000108.1V97 S105 M106 M125 L129 V145 V148V97-V99 HydrophobicContact CG2-CG2 4.13Å; V99-S105 CarbonylContact O-C 3.42Å; V99-S105 VanDerWaalsContact O-CA 3.28Å; V99-S105 WeakPolarHBondContact O-CA 3.49Å; V99-M106 PolarHBondContact N-O 2.9Å; V99-M106 PolarHBondContact O-N 2.83Å; V99-M125 HydrophobicContact CB-SD 4.43Å; V99-M125 HydrophobicContact CG1-SD 4.41Å; V99-M125 HydrophobicContact CG2-CE 4Å; V99-M125 HydrophobicContact CG2-SD 3.92Å; V99-L129 HydrophobicContact CB-CD1 3.94Å; V99-L129 HydrophobicContact CG1-CD1 3.44Å; V99-L129 VanDerWaalsContact CG1-CD1 3.44Å; V99-V145 HydrophobicContact CG1-CG1 4.11Å; V99-V145 HydrophobicContact CG1-CG2 4.43Å; V99-V148 HydrophobicContact CG2-CG1 4.35Å; V99-V148 HydrophobicContact CG2-CG2 4.44Å
100L81.1Confident77.3Confident89 Ų8981.8 Ų81.847%0.46644%0.443SS..EExtended strand (participates in β ladder)trans-117.4127.5177.6-6787.2000109.3T98 R104 I149T98-L100 HydrophobicContact CG2-CD1 3.76Å; T98-L100 HydrophobicContact CG2-CG 4.47Å; L100-R104 WeakPolarHBondContact CA-O 3.25Å; L100-I149 HydrophobicContact CD1-CD1 3.64Å; L100-I149 HydrophobicContact CD1-CG1 4.1Å
101A82.8Confident79.1Confident18 Ų1880 Ų8015%0.14943%0.434CS..EExtended strand (participates in β ladder)trans-158.4145.5173.600000110.7N103 R104 L129 L131A101-N103 VanDerWaalsContact C-N 3.28Å; A101-N103 PolarHBondContact O-N 3.16Å; A101-R104 PolarHBondContact N-O 3.08Å; A101-R104 WeakPolarHBondContact O-CA 3.42Å; A101-R104 WeakPolarHBondContact O-CB 3.28Å; A101-R104 PolarHBondContact O-N 3.15Å; A101-R104 VanDerWaalsContact O-O 3.1Å; A101-L129 HydrophobicContact CB-CB 4.24Å; A101-L131 HydrophobicContact CB-CD2 3.46Å; A101-L131 VanDerWaalsContact CB-CD2 3.46Å
102N85Confident80.3Confident99 Ų9978.2 Ų78.253%0.52942%0.417SS..THydrogen-bonded Turntrans48.545.1175.6-60.7-23.1000114.2R104 L129 N130N102-R104 PolarHBondContact O-N 3.34Å; N102-R104 VanDerWaalsContact O-N 3.11Å; N102-L129 PolarHBondContact ND2-O 3.38Å; N102-N130 HydrophobicContact CB-CB 4.46Å; N102-N130 PolarHBondContact ND2-O 2.89Å
103N84.6Confident80.8Confident179 Ų17977.1 Ų77.196%0.95741%0.412SS*.THydrogen-bonded Turntrans57.817.6-175-66.75.9000115.2A101A101-N103 VanDerWaalsContact C-N 3.28Å; A101-N103 PolarHBondContact O-N 3.16Å
104R86.4Confident80.6Confident127 Ų12777.1 Ų77.148%0.47941%0.41SS..EExtended strand (participates in β ladder)trans-110.9152.9172.3-60.4-179.4-175-88.2-5.5109.5L100 A101 N102 S128 L129 N130L100-R104 WeakPolarHBondContact CA-O 3.25Å; A101-R104 PolarHBondContact N-O 3.08Å; A101-R104 WeakPolarHBondContact O-CA 3.42Å; A101-R104 WeakPolarHBondContact O-CB 3.28Å; A101-R104 PolarHBondContact O-N 3.15Å; A101-R104 VanDerWaalsContact O-O 3.1Å; N102-R104 PolarHBondContact O-N 3.34Å; N102-R104 VanDerWaalsContact O-N 3.11Å; R104-S128 WeakPolarHBondContact CD-O 3.43Å; R104-L129 HydrophobicContact CB-CD2 3.86Å; R104-N130 PolarHBondContact NE-ND2 3.38Å; R104-N130 PolarHBondContact NH2-ND2 2.7Å
105S82.5Confident80.8Confident86 Ų8676.2 Ų76.260%0.60142%0.415SS*.EExtended strand (participates in β ladder)trans-133.3146.8174.5700000110.3V99V99-S105 CarbonylContact O-C 3.42Å; V99-S105 VanDerWaalsContact O-CA 3.28Å; V99-S105 WeakPolarHBondContact O-CA 3.49Å
106M84.1Confident80.8Confident50 Ų5077 Ų7725%0.24642%0.424CS..EExtended strand (participates in β ladder)trans-146.1134.8175.9-175.4170.858.500110.6V99 M125 L129V99-M106 PolarHBondContact N-O 2.9Å; V99-M106 PolarHBondContact O-N 2.83Å; M106-M125 HydrophobicContact CE-CB 3.48Å; M106-M125 VanDerWaalsContact CE-CB 3.48Å; M106-M125 HydrophobicContact CE-CE 3.29Å; M106-M125 HydrophobicContact CE-CG 3.26Å; M106-M125 HydrophobicContact CE-SD 3.97Å; M106-L129 HydrophobicContact CB-CD2 4.14Å; M106-L129 HydrophobicContact CE-CD1 4.43Å; M106-L129 HydrophobicContact CE-CG 4.45Å
107Q83.9Confident80.6Confident168 Ų16882 Ų8279%0.78544%0.441SS*.EExtended strand (participates in β ladder)trans-82.8138171.7-65.7-173.147.300110.1V97V97-Q107 WeakPolarHBondContact O-CA 3.44Å
108S84.6Confident80.3Confident44 Ų4483 Ų8331%0.30845%0.453SS..EExtended strand (participates in β ladder)trans-157.7-172.5178.7-161.80000111.1V97 M125V97-S108 PolarHBondContact N-O 2.91Å; V97-S108 PolarHBondContact O-N 3.41Å; S108-M125 WeakPolarHBondContact OG-CE 3.46Å
109Y81.6Confident80.4Confident175 Ų17582.8 Ų82.869%0.68645%0.452SS*.EExtended strand (participates in β ladder)trans-116.1135173.1-68.6-83.5000109.6V94 I95 P96V94-Y109 HydrophobicContact CG1-CD1 3.99Å; V94-Y109 HydrophobicContact CG1-CG 4.18Å; I95-Y109 CarbonylContact O-C 3.6Å; I95-Y109 VanDerWaalsContact O-CA 3.31Å; I95-Y109 WeakPolarHBondContact O-CA 3.34Å; P96-Y109 HydrophobicContact CB-CD1 4.36Å; P96-Y109 HydrophobicContact CB-CE1 4.17Å
110A82.9Confident80.4Confident21 Ų2186.4 Ų86.417%0.17448%0.475CS..EExtended strand (participates in β ladder)trans-111.8133.9176.300000110.7V94 I95 V97V94-A110 CarbonylContact C-O 3.55Å; V94-A110 WeakPolarHBondContact CA-O 3.5Å; I95-A110 HydrophobicContact CG1-CB 4.2Å; I95-A110 PolarHBondContact N-O 2.68Å; I95-A110 PolarHBondContact O-N 2.95Å; V97-A110 HydrophobicContact CB-CB 4.47Å; V97-A110 HydrophobicContact CG1-CB 3.67Å; V97-A110 HydrophobicContact CG2-CB 3.93Å
111L82.7Confident80.5Confident98 Ų9883.2 Ų83.251%0.51346%0.46SS..EExtended strand (participates in β ladder)trans-75.9120.8166.2-176.666000108.8L92 V94 D113L92-L111 HydrophobicContact CB-CD1 3.69Å; L92-L111 HydrophobicContact CD1-CD1 4.19Å; L92-L111 HydrophobicContact CD2-CD1 4.22Å; L92-L111 HydrophobicContact CG-CD1 4.25Å; V94-L111 HydrophobicContact CG2-CD1 4.07Å; L111-D113 PolarHBondContact O-N 2.82Å
112L79.4Confident80.6Confident81 Ų8186.5 Ų86.542%0.42448%0.478SS..  trans-79.997.4169.1-65.2179.6000108.7S93 I95S93-L112 WeakPolarHBondContact O-CB 3.33Å; S93-L112 PolarHBondContact O-N 2.92Å; I95-L112 HydrophobicContact CD1-CD1 4.28Å; I95-L112 HydrophobicContact CD1-CD2 3.69Å; I95-L112 HydrophobicContact CD1-CG 4.09Å; I95-L112 HydrophobicContact CG1-CD1 4.29Å; I95-L112 HydrophobicContact CG1-CD2 4.05Å; I95-L112 HydrophobicContact CG1-CG 3.96Å; I95-L112 HydrophobicContact CG2-CD1 3.71Å; I95-L112 HydrophobicContact CG2-CG 4.23Å
113D76.8Confident80.6Confident89 Ų8986.3 Ų86.348%0.47648%0.477SS..  trans-109.5106.7173.9-177.35.5000110L111 G115 S116L111-D113 PolarHBondContact O-N 2.82Å; D113-G115 PolarHBondContact O-N 3.14Å; D113-G115 WeakPolarHBondContact OD1-CA 3.16Å; D113-G115 PolarHBondContact OD1-N 3.22Å; D113-S116 PolarHBondContact O-N 3.31Å
114P70.9Confident80.7Confident61 Ų6184.2 Ų84.240%0.39646%0.461SS..THydrogen-bonded Turntrans-62-21.9174.5-14.525.3000113.7S116 I177 M180P114-S116 VanDerWaalsContact C-N 3.33Å; P114-I177 HydrophobicContact CG-CD1 3.31Å; P114-M180 HydrophobicContact CB-SD 3.74Å; P114-M180 HydrophobicContact CG-CE 4.12Å; P114-M180 HydrophobicContact CG-SD 3.97Å
115G76.9Confident80.8Confident53 Ų5378.8 Ų78.855%0.54644%0.442SS..THydrogen-bonded Turntrans-82.9-9178.200000113.7D113D113-G115 PolarHBondContact O-N 3.14Å; D113-G115 WeakPolarHBondContact OD1-CA 3.16Å; D113-G115 PolarHBondContact OD1-N 3.22Å
116S75.4Confident81Confident54 Ų5474.8 Ų74.838%0.37841%0.413SS..  trans-81.9125.1-178.3-169.20000111.8D113 P114 G118D113-S116 PolarHBondContact O-N 3.31Å; P114-S116 VanDerWaalsContact C-N 3.33Å; S116-G118 VanDerWaalsContact C-N 3.28Å; S116-G118 PolarHBondContact O-N 3.4Å; S116-G118 PolarHBondContact OG-N 2.95Å; S116-G118 PolarHBondContact OG-O 3.18Å
117Q71Confident81.3Confident176 Ų17680.4 Ų80.482%0.82243%0.432SS*.SBendtrans-80.3-7174.1-66.2-174.4-35.100113.5
118G73.4Confident81.6Confident28 Ų2875.2 Ų75.229%0.28941%0.414SS..SBendtrans-145.1171.5179.300000112S116 P120S116-G118 VanDerWaalsContact C-N 3.28Å; S116-G118 PolarHBondContact O-N 3.4Å; S116-G118 PolarHBondContact OG-N 2.95Å; S116-G118 PolarHBondContact OG-O 3.18Å; G118-P120 WeakPolarHBondContact O-CD 3.3Å
119T79.5Confident81.7Confident39 Ų3973.2 Ų73.224%0.23940%0.4CS..  trans-107.585.9170.1-55.60000108V145 V148T119-V145 PolarHBondContact O-N 3.39Å; T119-V148 HydrophobicContact CG2-CG2 3.87Å
120P82.4Confident82.1Confident79 Ų7968.9 Ų68.951%0.51339%0.389SS..EExtended strand (participates in β ladder)trans-65.6144.6175.429.5-34.3000109.5G118 Y143G118-P120 WeakPolarHBondContact O-CD 3.3Å; P120-Y143 WeakPolarHBondContact CA-O 3.46Å
121V83.9Confident82.2Confident23 Ų2369.3 Ų69.314%0.13939%0.388CS..EExtended strand (participates in β ladder)trans-121.2158.2171.5-60.20000110.5M125 A126 L131 Y143 V145V121-M125 HydrophobicContact CB-CB 4.17Å; V121-M125 HydrophobicContact CB-CG 3.82Å; V121-M125 HydrophobicContact CB-SD 3.61Å; V121-M125 HydrophobicContact CG1-CG 4.22Å; V121-M125 HydrophobicContact CG1-SD 3.49Å; V121-M125 WeakPolarHBondContact CG1-SD 3.21Å; V121-M125 HydrophobicContact CG2-CG 4.22Å; V121-A126 HydrophobicContact CG2-CB 4.28Å; V121-L131 HydrophobicContact CG2-CD1 3.74Å; V121-Y143 HydrophobicContact CG2-CG 4.34Å; V121-Y143 PolarHBondContact N-O 2.69Å; V121-Y143 VanDerWaalsContact N-O 3.1Å; V121-V145 HydrophobicContact CB-CG2 4.45Å; V121-V145 HydrophobicContact CG1-CB 4.37Å; V121-V145 HydrophobicContact CG1-CG2 3.54Å; V121-V145 HydrophobicContact CG2-CG2 4.03Å
122T85.3Confident82.1Confident86 Ų8673.1 Ų73.153%0.52840%0.403SS..  trans-68.2153.7177.463.80000110.9E124 M125 A126T122-E124 PolarHBondContact O-N 2.91Å; T122-M125 WeakPolarHBondContact O-CB 3.23Å; T122-M125 PolarHBondContact O-N 2.81Å; T122-M125 WeakPolarHBondContact OG1-CB 3.41Å; T122-M125 PolarHBondContact OG1-N 3.35Å; T122-M125 VanDerWaalsContact OG1-N 3.12Å; T122-A126 PolarHBondContact O-N 2.97Å
123D85.3Confident81.7Confident96 Ų9675.5 Ų75.551%0.51341%0.41SS..Hα-helixtrans-58.6-31.4174.8-71.5-10.9000112.5R127 Y143D123-R127 WeakPolarHBondContact O-CB 3.36Å; D123-R127 VanDerWaalsContact O-CG 3.27Å; D123-R127 WeakPolarHBondContact O-CG 3.43Å; D123-R127 PolarHBondContact O-N 3.24Å; D123-R127 PolarHBondContact O-NE 2.98Å; D123-R127 VanDerWaalsContact O-NE 3.1Å; D123-Y143 HydrophobicContact CB-CE2 4.47Å; D123-Y143 VanDerWaalsContact OD1-CE2 3.28Å; D123-Y143 WeakPolarHBondContact OD1-CE2 3.35Å
124E86.3Confident81.3Confident134 Ų13478.9 Ų78.963%0.62642%0.42SS*.Hα-helixtrans-64.9-50.2172.5-175.4-178.6-176.600111.3T122 A126 R127 S128T122-E124 PolarHBondContact O-N 2.91Å; E124-A126 VanDerWaalsContact C-N 3.29Å; E124-A126 PolarHBondContact O-N 3.46Å; E124-R127 PolarHBondContact O-N 3.46Å; E124-S128 WeakPolarHBondContact O-CB 3.31Å; E124-S128 PolarHBondContact O-N 2.94Å; E124-S128 PolarHBondContact O-OG 2.82Å; E124-S128 VanDerWaalsContact O-OG 3.11Å
125M87Confident80.8Confident14 Ų1482.1 Ų82.17%0.06944%0.441CS..Hα-helixtrans-59.2-43.1176.9171.6163.8-66.300111.6V99 M106 S108 V121 T122 S128 L129V99-M125 HydrophobicContact CB-SD 4.43Å; V99-M125 HydrophobicContact CG1-SD 4.41Å; V99-M125 HydrophobicContact CG2-CE 4Å; V99-M125 HydrophobicContact CG2-SD 3.92Å; M106-M125 HydrophobicContact CE-CB 3.48Å; M106-M125 VanDerWaalsContact CE-CB 3.48Å; M106-M125 HydrophobicContact CE-CE 3.29Å; M106-M125 HydrophobicContact CE-CG 3.26Å; M106-M125 HydrophobicContact CE-SD 3.97Å; S108-M125 WeakPolarHBondContact OG-CE 3.46Å; V121-M125 HydrophobicContact CB-CB 4.17Å; V121-M125 HydrophobicContact CB-CG 3.82Å; V121-M125 HydrophobicContact CB-SD 3.61Å; V121-M125 HydrophobicContact CG1-CG 4.22Å; V121-M125 HydrophobicContact CG1-SD 3.49Å; V121-M125 WeakPolarHBondContact CG1-SD 3.21Å; V121-M125 HydrophobicContact CG2-CG 4.22Å; T122-M125 WeakPolarHBondContact O-CB 3.23Å; T122-M125 PolarHBondContact O-N 2.81Å; T122-M125 WeakPolarHBondContact OG1-CB 3.41Å; T122-M125 PolarHBondContact OG1-N 3.35Å; T122-M125 VanDerWaalsContact OG1-N 3.12Å; M125-S128 PolarHBondContact O-N 3.03Å; M125-L129 HydrophobicContact CG-CD1 3.75Å; M125-L129 WeakPolarHBondContact O-CB 3.39Å; M125-L129 WeakPolarHBondContact O-CG 3.27Å; M125-L129 PolarHBondContact O-N 3.23Å
126A88.3Confident79.9Confident1 Ų182.7 Ų82.71%0.00844%0.437CS..Hα-helixtrans-63-42.7178.400000113.1V121 T122 E124 L129 N130 L131 Y143V121-A126 HydrophobicContact CG2-CB 4.28Å; T122-A126 PolarHBondContact O-N 2.97Å; E124-A126 VanDerWaalsContact C-N 3.29Å; E124-A126 PolarHBondContact O-N 3.46Å; A126-L129 CarbonylContact O-C 3.57Å; A126-L129 PolarHBondContact O-N 3.44Å; A126-N130 PolarHBondContact O-N 2.87Å; A126-L131 HydrophobicContact CB-CB 4.13Å; A126-L131 HydrophobicContact CB-CD1 4.15Å; A126-L131 HydrophobicContact CB-CG 4.47Å; A126-L131 PolarHBondContact O-N 2.77Å; A126-Y143 HydrophobicContact CB-CD1 3.39Å; A126-Y143 HydrophobicContact CB-CD2 3.27Å; A126-Y143 HydrophobicContact CB-CE1 3.45Å; A126-Y143 VanDerWaalsContact CB-CE1 3.45Å; A126-Y143 HydrophobicContact CB-CE2 3.36Å; A126-Y143 HydrophobicContact CB-CG 3.24Å
127R89.3Confident78.7Confident169 Ų16988.6 Ų88.664%0.63846%0.464SS*.Hα-helixtrans-63-46.1173.6-76.1179.4-71.4161.9-2.1111.5D123 E124 L129 N130D123-R127 WeakPolarHBondContact O-CB 3.36Å; D123-R127 VanDerWaalsContact O-CG 3.27Å; D123-R127 WeakPolarHBondContact O-CG 3.43Å; D123-R127 PolarHBondContact O-N 3.24Å; D123-R127 PolarHBondContact O-NE 2.98Å; D123-R127 VanDerWaalsContact O-NE 3.1Å; E124-R127 PolarHBondContact O-N 3.46Å; R127-L129 PolarHBondContact O-N 2.83Å; R127-N130 PolarHBondContact O-N 3.39Å; R127-N130 PolarHBondContact O-OD1 3.15Å
128S89.7Confident77.7Confident59 Ų5983.2 Ų83.241%0.41346%0.457SS..Hα-helixtrans-63-29.4179-64.60000113.2R104 E124 M125R104-S128 WeakPolarHBondContact CD-O 3.43Å; E124-S128 WeakPolarHBondContact O-CB 3.31Å; E124-S128 PolarHBondContact O-N 2.94Å; E124-S128 PolarHBondContact O-OG 2.82Å; E124-S128 VanDerWaalsContact O-OG 3.11Å; M125-S128 PolarHBondContact O-N 3.03Å
129L87.9Confident76.3Confident1 Ų189.4 Ų89.41%0.00548%0.483CS..THydrogen-bonded Turntrans-100.16.4179.4-67.1176.1000113.9V99 A101 N102 R104 M106 M125 A126 R127 L131V99-L129 HydrophobicContact CB-CD1 3.94Å; V99-L129 HydrophobicContact CG1-CD1 3.44Å; V99-L129 VanDerWaalsContact CG1-CD1 3.44Å; A101-L129 HydrophobicContact CB-CB 4.24Å; N102-L129 PolarHBondContact ND2-O 3.38Å; R104-L129 HydrophobicContact CB-CD2 3.86Å; M106-L129 HydrophobicContact CB-CD2 4.14Å; M106-L129 HydrophobicContact CE-CD1 4.43Å; M106-L129 HydrophobicContact CE-CG 4.45Å; M125-L129 HydrophobicContact CG-CD1 3.75Å; M125-L129 WeakPolarHBondContact O-CB 3.39Å; M125-L129 WeakPolarHBondContact O-CG 3.27Å; M125-L129 PolarHBondContact O-N 3.23Å; A126-L129 CarbonylContact O-C 3.57Å; A126-L129 PolarHBondContact O-N 3.44Å; R127-L129 PolarHBondContact O-N 2.83Å; L129-L131 HydrophobicContact CB-CD2 4.32Å; L129-L131 HydrophobicContact CB-CG 4.01Å; L129-L131 PolarHBondContact O-N 3.03Å
130N89Confident74.9Confident85 Ų8591.8 Ų91.846%0.45550%0.501SS..THydrogen-bonded Turntrans52.436.2-176.1-69.2-9.3000114.1N102 R104 A126 R127N102-N130 HydrophobicContact CB-CB 4.46Å; N102-N130 PolarHBondContact ND2-O 2.89Å; R104-N130 PolarHBondContact NE-ND2 3.38Å; R104-N130 PolarHBondContact NH2-ND2 2.7Å; A126-N130 PolarHBondContact O-N 2.87Å; R127-N130 PolarHBondContact O-N 3.39Å; R127-N130 PolarHBondContact O-OD1 3.15Å
131L85.8Confident73.2Confident30 Ų3091.8 Ų91.816%0.15750%0.5CS..PPolyproline II helixtrans-70136.9-179.1-61.5-179000111.2A101 V121 A126 L129 Y143 V145A101-L131 HydrophobicContact CB-CD2 3.46Å; A101-L131 VanDerWaalsContact CB-CD2 3.46Å; V121-L131 HydrophobicContact CG2-CD1 3.74Å; A126-L131 HydrophobicContact CB-CB 4.13Å; A126-L131 HydrophobicContact CB-CD1 4.15Å; A126-L131 HydrophobicContact CB-CG 4.47Å; A126-L131 PolarHBondContact O-N 2.77Å; L129-L131 HydrophobicContact CB-CD2 4.32Å; L129-L131 HydrophobicContact CB-CG 4.01Å; L129-L131 PolarHBondContact O-N 3.03Å; L131-Y143 HydrophobicContact CB-CD1 3.83Å; L131-Y143 HydrophobicContact CB-CE1 4.24Å; L131-Y143 WeakPolarHBondContact O-CE1 3.42Å; L131-V145 HydrophobicContact CD1-CG2 3.57Å
132E79.8Confident71.9Confident177 Ų17796.6 Ų96.683%0.82752%0.519SS*.PPolyproline II helixtrans-74.7136.3171.5-66.9-177.217400110.3K134E132-K134 PolarHBondContact O-N 2.84Å
133K72.3Confident70.7Confident132 Ų13293.2 Ų93.257%0.57450%0.497SS*.PPolyproline II helixtrans-72.7121.9171.7-70.4177.9175.4-171.90108.2T141 Y143K133-T141 HydrophobicContact CB-CG2 4.02Å; K133-T141 HydrophobicContact CD-CG2 4.06Å; K133-T141 HydrophobicContact CG-CG2 3.96Å; K133-Y143 HydrophobicContact CB-CE1 4.31Å; K133-Y143 WeakPolarHBondContact CE-OH 3.31Å; K133-Y143 HydrophobicContact CG-CD1 4.32Å; K133-Y143 HydrophobicContact CG-CE1 3.37Å; K133-Y143 HydrophobicContact CG-CE2 4.4Å; K133-Y143 VanDerWaalsContact CG-CZ 3.46Å; K133-Y143 WeakPolarHBondContact CG-OH 3.4Å
134K68.1Low69.5Low159 Ų15993.6 Ų93.669%0.69150%0.498SS*.PPolyproline II helixtrans-86.4126.4166.3-77.2-174.3177178.10109.2E132 S136E132-K134 PolarHBondContact O-N 2.84Å; K134-S136 PolarHBondContact O-N 3.14Å
135P60Low68.2Low129 Ų12987.9 Ų87.984%0.83847%0.472SS*.PPolyproline II helixtrans-66.9118.4171.725.8-29.8000108.8
136S58.9Low66.6Low65 Ų6592.6 Ų92.646%0.45550%0.502SS..PPolyproline II helixtrans-101.6128.7166.549.40000108.7K134 G138K134-S136 PolarHBondContact O-N 3.14Å; S136-G138 PolarHBondContact O-N 3.08Å
137N49.6Very low64.9Low178 Ų178102.1 Ų102.195%0.95254%0.538SS*.SBendtrans-65104.5175.3-82.3-5.5000109.4
138G49.5Very low63.4Low64 Ų6494.7 Ų94.766%0.6651%0.511SS*.SBendtrans95.5109.4172.300000113.8S136S136-G138 PolarHBondContact O-N 3.08Å
139D44.8Very low61.6Low157 Ų15797 Ų9784%0.8452%0.518SS*.SBendtrans56.3114.6165.2-82-28000120
140S49.5Very low60Low89 Ų8998.4 Ų98.462%0.62253%0.528SS*.  trans71.3106.3174-540000115.5K142S140-K142 PolarHBondContact O-N 3.47Å; S140-K142 VanDerWaalsContact O-N 3.17Å
141T48Very low58.1Low80 Ų8098.9 Ų98.949%0.49154%0.538SS..  trans-58.4118.1170.4-47.30000108.7K133K133-T141 HydrophobicContact CB-CG2 4.02Å; K133-T141 HydrophobicContact CD-CG2 4.06Å; K133-T141 HydrophobicContact CG-CG2 3.96Å
142K55.1Low56.3Low123 Ų123101 Ų10154%0.53557%0.567SS.*  trans-108.8123.7176.4-68.1176.3-172.5176.30109.7S140 L144S140-K142 PolarHBondContact O-N 3.47Å; S140-K142 VanDerWaalsContact O-N 3.17Å; K142-L144 HydrophobicContact CB-CD2 4.46Å; K142-L144 HydrophobicContact CB-CG 4.38Å; K142-L144 PolarHBondContact O-N 3.36Å
143Y60.5Low54.7Low16 Ų1695 Ų956%0.06355%0.552CS.*EExtended strand (participates in β ladder)trans-78.5115161.8-65.2-78.7000108P120 V121 D123 A126 L131 K133P120-Y143 WeakPolarHBondContact CA-O 3.46Å; V121-Y143 HydrophobicContact CG2-CG 4.34Å; V121-Y143 PolarHBondContact N-O 2.69Å; V121-Y143 VanDerWaalsContact N-O 3.1Å; D123-Y143 HydrophobicContact CB-CE2 4.47Å; D123-Y143 VanDerWaalsContact OD1-CE2 3.28Å; D123-Y143 WeakPolarHBondContact OD1-CE2 3.35Å; A126-Y143 HydrophobicContact CB-CD1 3.39Å; A126-Y143 HydrophobicContact CB-CD2 3.27Å; A126-Y143 HydrophobicContact CB-CE1 3.45Å; A126-Y143 VanDerWaalsContact CB-CE1 3.45Å; A126-Y143 HydrophobicContact CB-CE2 3.36Å; A126-Y143 HydrophobicContact CB-CG 3.24Å; L131-Y143 HydrophobicContact CB-CD1 3.83Å; L131-Y143 HydrophobicContact CB-CE1 4.24Å; L131-Y143 WeakPolarHBondContact O-CE1 3.42Å; K133-Y143 HydrophobicContact CB-CE1 4.31Å; K133-Y143 WeakPolarHBondContact CE-OH 3.31Å; K133-Y143 HydrophobicContact CG-CD1 4.32Å; K133-Y143 HydrophobicContact CG-CE1 3.37Å; K133-Y143 HydrophobicContact CG-CE2 4.4Å; K133-Y143 VanDerWaalsContact CG-CZ 3.46Å; K133-Y143 WeakPolarHBondContact CG-OH 3.4Å
144L60.2Low53.5Low104 Ų10495.6 Ų95.655%0.54556%0.562SS.*EExtended strand (participates in β ladder)trans-106.1124.6177.6-66.5174000108.6K142K142-L144 HydrophobicContact CB-CD2 4.46Å; K142-L144 HydrophobicContact CB-CG 4.38Å; K142-L144 PolarHBondContact O-N 3.36Å
145V58.3Low52.6Low13 Ų1394.7 Ų94.78%0.07955%0.554CS.*  trans-103.5126.8172.3-171.50000108.9V99 T119 V121 L131 W147V99-V145 HydrophobicContact CG1-CG1 4.11Å; V99-V145 HydrophobicContact CG1-CG2 4.43Å; T119-V145 PolarHBondContact O-N 3.39Å; V121-V145 HydrophobicContact CB-CG2 4.45Å; V121-V145 HydrophobicContact CG1-CB 4.37Å; V121-V145 HydrophobicContact CG1-CG2 3.54Å; V121-V145 HydrophobicContact CG2-CG2 4.03Å; L131-V145 HydrophobicContact CD1-CG2 3.57Å; V145-W147 VanDerWaalsContact CG1-O 3.24Å; V145-W147 WeakPolarHBondContact CG1-O 3.42Å
146T54.9Low51.9Low113 Ų11391.3 Ų91.369%0.69353%0.531SS*.SBendtrans-74.5-27-178.6-46.20000112.3
147W52.6Low51.6Low201 Ų20193.6 Ų93.676%0.76154%0.542SS*.  trans-132.6126.2-175.4-61.7103000112.3V145V145-W147 VanDerWaalsContact CG1-O 3.24Å; V145-W147 WeakPolarHBondContact CG1-O 3.42Å
148V56.5Low51.7Low14 Ų1487.3 Ų87.39%0.08551%0.508CS..EExtended strand (participates in β ladder)trans-130.5125169.4176.50000107.6V97 V99 T119V97-V148 HydrophobicContact CB-CG1 3.43Å; V97-V148 VanDerWaalsContact CB-CG1 3.43Å; V97-V148 HydrophobicContact CG1-CG1 3.55Å; V97-V148 HydrophobicContact CG2-CG1 3.8Å; V99-V148 HydrophobicContact CG2-CG1 4.35Å; V99-V148 HydrophobicContact CG2-CG2 4.44Å; T119-V148 HydrophobicContact CG2-CG2 3.87Å
149I53Low51.6Low106 Ų10686.8 Ų86.854%0.54449%0.493SS..EExtended strand (participates in β ladder)trans-85.7114.9176.8-55.6-177.5000107.6V97 T98 L100V97-I149 WeakPolarHBondContact CA-O 3.45Å; T98-I149 PolarHBondContact N-O 2.7Å; T98-I149 PolarHBondContact O-N 2.86Å; L100-I149 HydrophobicContact CD1-CD1 3.64Å; L100-I149 HydrophobicContact CD1-CG1 4.1Å
150S54.7Low52.4Low31 Ų3185.7 Ų85.722%0.21748%0.483CS..EExtended strand (participates in β ladder)trans-87.6135.4168.9173.60000109.3I95 G152I95-S150 VanDerWaalsContact CD1-OG 3.27Å; I95-S150 WeakPolarHBondContact CD1-OG 3.46Å; S150-G152 PolarHBondContact O-N 3.02Å; S150-G152 PolarHBondContact OG-N 2.97Å
151S48.5Very low53.1Low95 Ų9589.3 Ų89.366%0.66449%0.49SS*.SBendtrans-68.46.8175.7-33.60000114
152G47.7Very low53.8Low75 Ų7586.1 Ų86.177%0.77347%0.472SS*.SBendtrans175.844.9179.800000118.9S150S150-G152 PolarHBondContact O-N 3.02Å; S150-G152 PolarHBondContact OG-N 2.97Å
153G47Very low54.3Low50 Ų5086 Ų8652%0.51547%0.468SS..  trans-158.3128.1178.400000117.1R155G153-R155 PolarHBondContact O-N 3.03Å; G153-R155 VanDerWaalsContact O-N 3.12Å
154N46.3Very low54.7Low145 Ų14590.9 Ų90.978%0.77550%0.496SS*.  trans-56.8105.3175.4-68.1-7.1000111.9
155R48.8Very low55.1Low141 Ų14187.1 Ų87.153%0.53248%0.48SS..  trans-68.9132.4162.4-82.3-175.8176-117.6-5.1109G153G153-R155 PolarHBondContact O-N 3.03Å; G153-R155 VanDerWaalsContact O-N 3.12Å
156V44.7Very low55.1Low57 Ų5786.6 Ų86.635%0.34548%0.477SS..  trans-105.2114.8172.3178.60000105.9A184 R185 L188V156-A184 HydrophobicContact CG1-CB 4.23Å; V156-R185 HydrophobicContact CG1-CG 4.48Å; V156-R185 HydrophobicContact CG2-CG 4.47Å; V156-L188 HydrophobicContact CG1-CD1 3.37Å; V156-L188 HydrophobicContact CG1-CG 4.21Å
157V54.4Low55.6Low114 Ų11484.1 Ų84.169%0.69146%0.459SS*.  trans-98.8105.6-179.6179.30000108.2L188V157-L188 WeakPolarHBondContact O-CD2 3.48Å
158I51Low56.2Low45 Ų4579.5 Ų79.523%0.23145%0.449CS..  trans-72.7123.1177.5-56.7172.3000108.9R163 A166 A184 C187I158-R163 HydrophobicContact CG2-CG 4.27Å; I158-A166 HydrophobicContact CD1-CB 3.84Å; I158-A166 HydrophobicContact CG2-CB 4.44Å; I158-A184 HydrophobicContact CD1-CB 3.81Å; I158-A184 HydrophobicContact CG1-CB 4.17Å; I158-C187 HydrophobicContact CG2-CB 4.35Å
159P47.2Very low56.4Low53 Ų5382.2 Ų82.234%0.34446%0.461SS..  trans-64.7155.8178.329.7-37.6000110.8E161 G162 R163 L188P159-E161 WeakPolarHBondContact CB-OE2 3.48Å; P159-E161 PolarHBondContact O-N 2.88Å; P159-G162 PolarHBondContact O-N 3Å; P159-R163 PolarHBondContact O-N 3.26Å; P159-L188 HydrophobicContact CG-CD2 4.33Å
160E61.6Low56.7Low135 Ų13578.9 Ų78.963%0.63144%0.444SS*.Hα-helixtrans-54.6-40.1-171.2-172.1153179.400113.4G162 R163E160-G162 PolarHBondContact O-N 3.3Å; E160-R163 PolarHBondContact O-N 3.35Å; E160-R163 IonicContact OE1-NH2 3.8Å; E160-R163 IonicContact OE2-CZ 3.99Å; E160-R163 IonicContact OE2-NH2 2.87Å; E160-R163 PolarHBondContact OE2-NH2 3.39Å
161E64.7Low57.1Low165 Ų16584.1 Ų84.177%0.77147%0.465SS*.Hα-helixtrans-64.1-27.3-178.4-52.776-162.900112P159P159-E161 WeakPolarHBondContact CB-OE2 3.48Å; P159-E161 PolarHBondContact O-N 2.88Å
162G62Low57.7Low12 Ų1288.4 Ų88.412%0.12447%0.472CS..Hα-helixtrans-97-8.3-179.200000114.7P159 E160 A166P159-G162 PolarHBondContact O-N 3Å; E160-G162 PolarHBondContact O-N 3.3Å; G162-A166 VanDerWaalsContact O-CB 3.31Å; G162-A166 WeakPolarHBondContact O-CB 3.44Å; G162-A166 PolarHBondContact O-N 2.88Å
163R65.5Low58.2Low120 Ų12086.6 Ų86.645%0.45345%0.453SS..Hα-helixtrans-62.2-50.3-172.8-74.3-170.2-123152.69112.3I158 P159 E160 A166 L167I158-R163 HydrophobicContact CG2-CG 4.27Å; P159-R163 PolarHBondContact O-N 3.26Å; E160-R163 PolarHBondContact O-N 3.35Å; E160-R163 IonicContact OE1-NH2 3.8Å; E160-R163 IonicContact OE2-CZ 3.99Å; E160-R163 IonicContact OE2-NH2 2.87Å; E160-R163 PolarHBondContact OE2-NH2 3.39Å; R163-A166 PolarHBondContact O-N 3.04Å; R163-L167 WeakPolarHBondContact O-CB 3.42Å; R163-L167 VanDerWaalsContact O-CG 3.25Å; R163-L167 WeakPolarHBondContact O-CG 3.29Å; R163-L167 PolarHBondContact O-N 3.12Å
164N69.1Low58.7Low119 Ų11989.7 Ų89.764%0.63645%0.454SS*.Hα-helixtrans-66.2-43.9-177-69.1-11.4000111.5A166 L167 D168N164-A166 VanDerWaalsContact C-N 3.33Å; N164-A166 PolarHBondContact O-N 2.93Å; N164-L167 PolarHBondContact O-N 3.31Å; N164-L167 VanDerWaalsContact O-N 3.11Å; N164-D168 VanDerWaalsContact O-CG 3.31Å; N164-D168 PolarHBondContact O-N 3.27Å
165A67.7Low59.2Low25 Ų2583.4 Ų83.421%0.20742%0.421CS..Hα-helixtrans-61-41.9176.200000112.1D168 E169 P194A165-D168 PolarHBondContact O-N 2.74Å; A165-E169 WeakPolarHBondContact O-CB 3.39Å; A165-E169 WeakPolarHBondContact O-CG 3.26Å; A165-E169 PolarHBondContact O-N 3.37Å; A165-P194 HydrophobicContact CB-CG 4.23Å
166A60Low59.7Low2 Ų279.3 Ų79.32%0.01742%0.423CS..Hα-helixtrans-62.2-43.9173.600000111.5I158 G162 R163 N164 E169 L170I158-A166 HydrophobicContact CD1-CB 3.84Å; I158-A166 HydrophobicContact CG2-CB 4.44Å; G162-A166 VanDerWaalsContact O-CB 3.31Å; G162-A166 WeakPolarHBondContact O-CB 3.44Å; G162-A166 PolarHBondContact O-N 2.88Å; R163-A166 PolarHBondContact O-N 3.04Å; N164-A166 VanDerWaalsContact C-N 3.33Å; N164-A166 PolarHBondContact O-N 2.93Å; A166-E169 PolarHBondContact O-N 3.44Å; A166-L170 WeakPolarHBondContact O-CB 3.11Å; A166-L170 WeakPolarHBondContact O-CG 3.46Å; A166-L170 PolarHBondContact O-N 2.85Å
167L64.6Low60.5Low62 Ų6279.8 Ų79.833%0.32542%0.423SS..Hα-helixtrans-64.3-41.9178.4-72.5169000112.3R163 N164 L170 H171R163-L167 WeakPolarHBondContact O-CB 3.42Å; R163-L167 VanDerWaalsContact O-CG 3.25Å; R163-L167 WeakPolarHBondContact O-CG 3.29Å; R163-L167 PolarHBondContact O-N 3.12Å; N164-L167 PolarHBondContact O-N 3.31Å; N164-L167 VanDerWaalsContact O-N 3.11Å; L167-L170 PolarHBondContact O-N 3.34Å; L167-H171 VanDerWaalsContact O-CB 3.26Å; L167-H171 WeakPolarHBondContact O-CB 3.45Å; L167-H171 PolarHBondContact O-N 3.37Å
168D65.3Low60.8Low103 Ų10380 Ų8055%0.55142%0.424SS*.Hα-helixtrans-62.5-45177.3-70.7-23.6000110.8N164 A165 L170 H171 F172N164-D168 VanDerWaalsContact O-CG 3.31Å; N164-D168 PolarHBondContact O-N 3.27Å; A165-D168 PolarHBondContact O-N 2.74Å; D168-L170 VanDerWaalsContact C-N 3.35Å; D168-L170 PolarHBondContact O-N 3.15Å; D168-H171 PolarHBondContact O-N 3.47Å; D168-F172 WeakPolarHBondContact O-CB 3.36Å; D168-F172 PolarHBondContact O-N 3.46Å
169E60.7Low61.4Low71 Ų7184 Ų8433%0.33244%0.436SS..Hα-helixtrans-62.6-39.3175-78.5-67.9146.900112.9A165 A166 G173 L183A165-E169 WeakPolarHBondContact O-CB 3.39Å; A165-E169 WeakPolarHBondContact O-CG 3.26Å; A165-E169 PolarHBondContact O-N 3.37Å; A166-E169 PolarHBondContact O-N 3.44Å; E169-G173 PolarHBondContact O-N 2.93Å; E169-L183 HydrophobicContact CB-CD1 4.12Å; E169-L183 HydrophobicContact CB-CD2 4.25Å; E169-L183 HydrophobicContact CG-CD2 4.38Å
170L59.7Low62.3Low37 Ų3783.8 Ų83.819%0.19443%0.431CS..Hα-helixtrans-66.2-43.7175.1-70.7170.7000111.1A166 L167 D168 H174 P175 M180 L183A166-L170 WeakPolarHBondContact O-CB 3.11Å; A166-L170 WeakPolarHBondContact O-CG 3.46Å; A166-L170 PolarHBondContact O-N 2.85Å; L167-L170 PolarHBondContact O-N 3.34Å; D168-L170 VanDerWaalsContact C-N 3.35Å; D168-L170 PolarHBondContact O-N 3.15Å; L170-H174 PolarHBondContact O-N 3.43Å; L170-P175 HydrophobicContact CD2-CG 4Å; L170-P175 VanDerWaalsContact O-CD 3.3Å; L170-P175 WeakPolarHBondContact O-CD 3.47Å; L170-M180 HydrophobicContact CD2-CB 3.73Å; L170-M180 HydrophobicContact CD2-CG 3.38Å; L170-M180 HydrophobicContact CD2-SD 3.87Å; L170-L183 HydrophobicContact CD2-CD1 4.48Å
171H62.6Low62.4Low140 Ų14083.3 Ų83.365%0.64843%0.427SS*.Hα-helixtrans-68.9-44.2-178.6-171.5-93.6000111.8L167 D168 H174L167-H171 VanDerWaalsContact O-CB 3.26Å; L167-H171 WeakPolarHBondContact O-CB 3.45Å; L167-H171 PolarHBondContact O-N 3.37Å; D168-H171 PolarHBondContact O-N 3.47Å; H171-H174 PolarHBondContact O-CE1 3.18Å; H171-H174 PolarHBondContact O-ND1 2.7Å
172F61.7Low62.4Low185 Ų18577.2 Ų77.281%0.81141%0.409SS*.Hα-helixtrans-74.7-40.7179-104.5-86.3000113D168D168-F172 WeakPolarHBondContact O-CB 3.36Å; D168-F172 PolarHBondContact O-N 3.46Å
173G58.2Low62.4Low37 Ų3777.8 Ų77.838%0.38141%0.408SS..Hα-helixtrans-82.1-15.9-170.400000115.3E169 P175E169-G173 PolarHBondContact O-N 2.93Å; G173-P175 VanDerWaalsContact O-N 3.07Å
174H56.2Low62.1Low116 Ų11673 Ų7354%0.53739%0.394SS..  trans33.949.9-164.4-7347.3000113I80 L170 H171I80-H174 HydrophobicContact CD1-CB 3.62Å; I80-H174 HydrophobicContact CG1-CB 4.3Å; L170-H174 PolarHBondContact O-N 3.43Å; H171-H174 PolarHBondContact O-CE1 3.18Å; H171-H174 PolarHBondContact O-ND1 2.7Å
175P58.5Low61.8Low12 Ų1273.7 Ų73.78%0.07839%0.388CS..  trans-74.9142.5-168.525.9-25.1000111.3L170 G173 R179 M180 L183L170-P175 HydrophobicContact CD2-CG 4Å; L170-P175 VanDerWaalsContact O-CD 3.3Å; L170-P175 WeakPolarHBondContact O-CD 3.47Å; G173-P175 VanDerWaalsContact O-N 3.07Å; P175-R179 HydrophobicContact CB-CB 3.61Å; P175-R179 HydrophobicContact CB-CG 3.49Å; P175-R179 VanDerWaalsContact CB-CG 3.49Å; P175-R179 HydrophobicContact CG-CG 4.43Å; P175-M180 HydrophobicContact CB-CG 4.41Å; P175-M180 HydrophobicContact CG-CG 3.9Å; P175-M180 WeakPolarHBondContact O-CE 3.23Å; P175-M180 VanDerWaalsContact O-CG 3.27Å; P175-M180 WeakPolarHBondContact O-CG 3.41Å; P175-L183 HydrophobicContact CB-CD1 4.45Å; P175-L183 HydrophobicContact CG-CD1 3.82Å
176G59Low61.6Low55 Ų5575.2 Ų75.257%0.56740%0.397SS*.  trans-59.9162.3168.700000112.5V178 R179 M180G176-V178 PolarHBondContact O-N 2.77Å; G176-R179 PolarHBondContact O-N 3.21Å; G176-M180 PolarHBondContact O-N 3.33Å
177I61.1Low61.5Low68 Ų6876.4 Ų76.435%0.34941%0.405SS..Hα-helixtrans-45.4-36.7-173.5-168.574.2000115P114 M180 K181P114-I177 HydrophobicContact CG-CD1 3.31Å; I177-M180 HydrophobicContact CD1-CE 4.43Å; I177-K181 WeakPolarHBondContact O-CG 3.31Å; I177-K181 PolarHBondContact O-N 3.13Å
178V60Low60.7Low119 Ų11977 Ų7772%0.72141%0.408SS*.Hα-helixtrans-69-44.5179.7-179.70000111.2G176 K181 G182G176-V178 PolarHBondContact O-N 2.77Å; V178-K181 PolarHBondContact O-N 3.04Å; V178-G182 PolarHBondContact O-N 3.27Å
179R65.2Low60.2Low128 Ų12879.5 Ų79.548%0.48342%0.421SS..Hα-helixtrans-73.4-33.2178.1-179.4174.5-168.5-82.2-2.9111P175 G176 G182 L183P175-R179 HydrophobicContact CB-CB 3.61Å; P175-R179 HydrophobicContact CB-CG 3.49Å; P175-R179 VanDerWaalsContact CB-CG 3.49Å; P175-R179 HydrophobicContact CG-CG 4.43Å; G176-R179 PolarHBondContact O-N 3.21Å; R179-G182 PolarHBondContact O-N 3.46Å; R179-L183 HydrophobicContact CG-CD1 4.21Å; R179-L183 HydrophobicContact CG-CG 4.41Å; R179-L183 WeakPolarHBondContact O-CB 3.4Å; R179-L183 VanDerWaalsContact O-CG 3.31Å; R179-L183 WeakPolarHBondContact O-CG 3.4Å; R179-L183 PolarHBondContact O-N 3.45Å
180M64.9Low59.8Low49 Ų4979 Ų7924%0.24143%0.429CS..Hα-helixtrans-56.4-50.5167.9-65.2-161.2-107.600112P114 L170 P175 G176 I177 G182 L183 A184P114-M180 HydrophobicContact CB-SD 3.74Å; P114-M180 HydrophobicContact CG-CE 4.12Å; P114-M180 HydrophobicContact CG-SD 3.97Å; L170-M180 HydrophobicContact CD2-CB 3.73Å; L170-M180 HydrophobicContact CD2-CG 3.38Å; L170-M180 HydrophobicContact CD2-SD 3.87Å; P175-M180 HydrophobicContact CB-CG 4.41Å; P175-M180 HydrophobicContact CG-CG 3.9Å; P175-M180 WeakPolarHBondContact O-CE 3.23Å; P175-M180 VanDerWaalsContact O-CG 3.27Å; P175-M180 WeakPolarHBondContact O-CG 3.41Å; G176-M180 PolarHBondContact O-N 3.33Å; I177-M180 HydrophobicContact CD1-CE 4.43Å; M180-G182 VanDerWaalsContact C-N 3.3Å; M180-G182 PolarHBondContact O-N 3.4Å; M180-L183 PolarHBondContact O-N 3.38Å; M180-A184 WeakPolarHBondContact O-CB 3.41Å; M180-A184 PolarHBondContact O-N 3.4Å
181K65Low59Low125 Ų12580.3 Ų80.354%0.54345%0.451SS..Hα-helixtrans-62.1-37.4177.1-75177.9178.3-179.80112.3I177 V178 R185I177-K181 WeakPolarHBondContact O-CG 3.31Å; I177-K181 PolarHBondContact O-N 3.13Å; V178-K181 PolarHBondContact O-N 3.04Å; K181-R185 WeakPolarHBondContact O-CG 3.49Å; K181-R185 PolarHBondContact O-N 2.76Å; K181-R185 VanDerWaalsContact O-N 3.1Å
182G63.1Low58Low37 Ų3781.9 Ų81.938%0.38146%0.459SS..Hα-helixtrans-62.6-49.4175.200000112.6V178 R179 M180 R185 S186V178-G182 PolarHBondContact O-N 3.27Å; R179-G182 PolarHBondContact O-N 3.46Å; M180-G182 VanDerWaalsContact C-N 3.3Å; M180-G182 PolarHBondContact O-N 3.4Å; G182-R185 PolarHBondContact O-N 2.7Å; G182-S186 PolarHBondContact O-N 3.25Å
183L62.4Low56.9Low23 Ų2384 Ų8412%0.1246%0.461CS..Hα-helixtrans-62.6-43.2177.8-71.5166.8000112.1E169 L170 P175 R179 M180 R185 S186 C187E169-L183 HydrophobicContact CB-CD1 4.12Å; E169-L183 HydrophobicContact CB-CD2 4.25Å; E169-L183 HydrophobicContact CG-CD2 4.38Å; L170-L183 HydrophobicContact CD2-CD1 4.48Å; P175-L183 HydrophobicContact CB-CD1 4.45Å; P175-L183 HydrophobicContact CG-CD1 3.82Å; R179-L183 HydrophobicContact CG-CD1 4.21Å; R179-L183 HydrophobicContact CG-CG 4.41Å; R179-L183 WeakPolarHBondContact O-CB 3.4Å; R179-L183 VanDerWaalsContact O-CG 3.31Å; R179-L183 WeakPolarHBondContact O-CG 3.4Å; R179-L183 PolarHBondContact O-N 3.45Å; M180-L183 PolarHBondContact O-N 3.38Å; L183-R185 VanDerWaalsContact C-N 3.28Å; L183-R185 PolarHBondContact O-N 3.13Å; L183-S186 WeakPolarHBondContact CA-OG 3.46Å; L183-S186 PolarHBondContact O-N 3.12Å; L183-S186 PolarHBondContact O-OG 3.16Å; L183-C187 PolarHBondContact O-N 3.46Å; L183-C187 PolarHBondContact O-SG 2.83Å
184A59.8Low55.8Low19 Ų1986.1 Ų86.116%0.15747%0.468CS..Hα-helixtrans-59.7-40174.800000111.7V156 I158 M180 L188V156-A184 HydrophobicContact CG1-CB 4.23Å; I158-A184 HydrophobicContact CD1-CB 3.81Å; I158-A184 HydrophobicContact CG1-CB 4.17Å; M180-A184 WeakPolarHBondContact O-CB 3.41Å; M180-A184 PolarHBondContact O-N 3.4Å; A184-L188 PolarHBondContact O-N 3.2Å
185R62.4Low55.2Low135 Ų13587.1 Ų87.151%0.50948%0.483SS..Hα-helixtrans-70.4-38.6175.6-75178.4-179.5-148.12.2112.8V156 K181 G182 L183 C187 L188 L189V156-R185 HydrophobicContact CG1-CG 4.48Å; V156-R185 HydrophobicContact CG2-CG 4.47Å; K181-R185 WeakPolarHBondContact O-CG 3.49Å; K181-R185 PolarHBondContact O-N 2.76Å; K181-R185 VanDerWaalsContact O-N 3.1Å; G182-R185 PolarHBondContact O-N 2.7Å; L183-R185 VanDerWaalsContact C-N 3.28Å; L183-R185 PolarHBondContact O-N 3.13Å; R185-C187 VanDerWaalsContact C-N 3.29Å; R185-C187 PolarHBondContact O-N 3.07Å; R185-L188 WeakPolarHBondContact O-CB 3.47Å; R185-L188 PolarHBondContact O-N 3.29Å; R185-L188 VanDerWaalsContact O-N 3.17Å; R185-L189 WeakPolarHBondContact O-CG 3.46Å; R185-L189 PolarHBondContact O-N 3.05Å
186S62.7Low54.2Low56 Ų5698.9 Ų98.939%0.39254%0.536SS..Hα-helixtrans-65.8-35.7177.364.50000111.5G182 L183 L188 L189 A190G182-S186 PolarHBondContact O-N 3.25Å; L183-S186 WeakPolarHBondContact CA-OG 3.46Å; L183-S186 PolarHBondContact O-N 3.12Å; L183-S186 PolarHBondContact O-OG 3.16Å; S186-L188 PolarHBondContact O-N 3.29Å; S186-L189 PolarHBondContact O-N 3.44Å; S186-L189 VanDerWaalsContact O-N 3.16Å; S186-A190 VanDerWaalsContact O-CB 3.24Å; S186-A190 WeakPolarHBondContact O-CB 3.39Å; S186-A190 PolarHBondContact O-N 3.4Å
187C57.9Low54Low27 Ų27101.1 Ų101.118%0.18254%0.535CS..Hα-helixtrans-62.9-29.2174.1-65.20000112.8I158 L183 R185I158-C187 HydrophobicContact CG2-CB 4.35Å; L183-C187 PolarHBondContact O-N 3.46Å; L183-C187 PolarHBondContact O-SG 2.83Å; R185-C187 VanDerWaalsContact C-N 3.29Å; R185-C187 PolarHBondContact O-N 3.07Å
188L49.2Very low53.6Low76 Ų76102.8 Ų102.840%0.39854%0.544SS..Hα-helixtrans-71.9-37.7173.1-67.3175.9000113.5V156 V157 P159 A184 R185 S186V156-L188 HydrophobicContact CG1-CD1 3.37Å; V156-L188 HydrophobicContact CG1-CG 4.21Å; V157-L188 WeakPolarHBondContact O-CD2 3.48Å; P159-L188 HydrophobicContact CG-CD2 4.33Å; A184-L188 PolarHBondContact O-N 3.2Å; R185-L188 WeakPolarHBondContact O-CB 3.47Å; R185-L188 PolarHBondContact O-N 3.29Å; R185-L188 VanDerWaalsContact O-N 3.17Å; S186-L188 PolarHBondContact O-N 3.29Å
189L53.5Low53.2Low154 Ų154101.9 Ų101.981%0.80654%0.535SS*.Hα-helixtrans-85.9-30.4-172.9-64.4174.1000112.3R185 S186R185-L189 WeakPolarHBondContact O-CG 3.46Å; R185-L189 PolarHBondContact O-N 3.05Å; S186-L189 PolarHBondContact O-N 3.44Å; S186-L189 VanDerWaalsContact O-N 3.16Å
190A52.1Low52.5Low62 Ų62100.4 Ų100.451%0.51254%0.538SS..Hα-helixtrans-80.3-25.5-168.800000114S186 H192S186-A190 VanDerWaalsContact O-CB 3.24Å; S186-A190 WeakPolarHBondContact O-CB 3.39Å; S186-A190 PolarHBondContact O-N 3.4Å; A190-H192 PolarHBondContact O-N 3.29Å
191G43.1Very low51.8Low64 Ų64103.6 Ų103.666%0.6656%0.556SS**  trans55.7-6.7-179.200000116.5
192H41.6Very low50.9Low173 Ų173102.1 Ų102.180%0.80156%0.557SS**SBendtrans-157.1149.1-167.1-95.960.2000111.3A190A190-H192 PolarHBondContact O-N 3.29Å
193R39.1Very low50Low228 Ų228106.8 Ų106.886%0.8657%0.569SS**PPolyproline II helixtrans-47149.2-162.4-69.8171.2-177.9-154.1-1.5118T195R193-T195 PolarHBondContact O-N 3.36Å
194P35.8Very low49Very low82 Ų82113.2 Ų113.253%0.53260%0.604SS.*PPolyproline II helixtrans-66125.8162.828.2-29.2000109.3A165A165-P194 HydrophobicContact CB-CG 4.23Å
195T42.6Very low48.2Very low138 Ų138121.1 Ų121.185%0.84764%0.641SS**PPolyproline II helixtrans-76141.5160.849.10000108.7R193R193-T195 PolarHBondContact O-N 3.36Å
196H37.8Very low46.9Very low258 Ų258119.8 Ų119.8100%1.19465%0.653SS**  trans-43.40-172.9-148.5-58000117.3

Retrieved 196 of 196 residues in 1047.3 ms (Link to these results)

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