A0A3Q0KR39_SCHMA Loading...

Thiamin pyrophosphokinase-related

AlphaFold DB , UniProt , Accession A0A3Q0KR39, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 336 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
1M31.9Very low60.8Low234 Ų23487.2 Ų87.2100%1.15348%0.479SS*.  0115.50-75.9-178.4-94.900106.4V3M1-V3 PolarHBondContact O-N 3.32Å
2A37.7Very low63Low96 Ų9680.3 Ų80.379%0.79344%0.44SS*.  trans-60.4108.6168.700000105.8T4A2-T4 VanDerWaalsContact C-N 3.29Å; A2-T4 PolarHBondContact O-N 2.87Å
3V43.3Very low65.4Low122 Ų12274.1 Ų74.174%0.73941%0.407SS*.  trans-57.5107.2166.4-179.30000103.4M1M1-V3 PolarHBondContact O-N 3.32Å
4T48.8Very low67.3Low58 Ų5869.5 Ų69.536%0.35638%0.381SS..  trans-56.5136.9-172.313.90000108.2A2 F6 F7A2-T4 VanDerWaalsContact C-N 3.29Å; A2-T4 PolarHBondContact O-N 2.87Å; T4-F6 HydrophobicContact CG2-CD2 3.88Å; T4-F6 HydrophobicContact CG2-CE2 4.42Å; T4-F6 PolarHBondContact O-N 3.04Å; T4-F7 PolarHBondContact O-N 2.7Å; T4-F7 WeakPolarHBondContact OG1-CD2 3.33Å
5P57.8Low68.8Low63 Ų6369.2 Ų69.241%0.40938%0.379SS..Hα-helixtrans-49.8-19.1173.2-25.832.6000113.3S8 L9 F292P5-S8 PolarHBondContact O-OG 3.2Å; P5-L9 PolarHBondContact O-N 2.95Å; P5-F292 HydrophobicContact CB-CE2 4.29Å; P5-F292 HydrophobicContact CB-CZ 4.34Å; P5-F292 VanDerWaalsContact O-CZ 3.31Å; P5-F292 WeakPolarHBondContact O-CZ 3.42Å
6F56.6Low70.1Confident44 Ų4469.1 Ų69.119%0.19337%0.373CS..Hα-helixtrans-74.5-28.6179.1-52.2-65.7000115.3T4 S8 L9 D319T4-F6 HydrophobicContact CG2-CD2 3.88Å; T4-F6 HydrophobicContact CG2-CE2 4.42Å; T4-F6 PolarHBondContact O-N 3.04Å; F6-S8 VanDerWaalsContact C-N 3.3Å; F6-L9 HydrophobicContact CD1-CD1 3.97Å; F6-L9 PolarHBondContact O-N 3.24Å; F6-D319 HydrophobicContact CD1-CB 3.83Å; F6-D319 VanDerWaalsContact CD1-OD1 3.29Å; F6-D319 WeakPolarHBondContact CD1-OD1 3.5Å; F6-D319 HydrophobicContact CE1-CB 3.47Å; F6-D319 VanDerWaalsContact CE1-CB 3.47Å; F6-D319 HydrophobicContact CZ-CB 4.23Å
7F59.9Low71.6Confident123 Ų12365.1 Ų65.154%0.53935%0.352SS..Hα-helixtrans-68.3-35.1173.5-87.9-82000111.3T4 R321T4-F7 PolarHBondContact O-N 2.7Å; T4-F7 WeakPolarHBondContact OG1-CD2 3.33Å; F7-R321 VanDerWaalsContact CZ-NH2 3.26Å
8S78.2Confident73Confident39 Ų3961.4 Ų61.427%0.27333%0.332SS..Hα-helixtrans-73.3-28.7177.2470000112.9P5 F6 N11 L12 F292P5-S8 PolarHBondContact O-OG 3.2Å; F6-S8 VanDerWaalsContact C-N 3.3Å; S8-N11 WeakPolarHBondContact O-CB 3.12Å; S8-N11 PolarHBondContact O-N 2.7Å; S8-L12 PolarHBondContact O-N 2.69Å; S8-F292 VanDerWaalsContact CB-CD1 3.45Å; S8-F292 WeakPolarHBondContact OG-CD1 3.1Å; S8-F292 WeakPolarHBondContact OG-CE1 3.5Å; S8-F292 WeakPolarHBondContact OG-CZ 3.5Å
9L85.2Confident74.3Confident3 Ų360.6 Ų60.62%0.01633%0.328CS..Hα-helixtrans-60.6-47.1174.1-73.8174.9000111.8P5 F6 N11 L12 V13 I291 F292 L305 V325P5-L9 PolarHBondContact O-N 2.95Å; F6-L9 HydrophobicContact CD1-CD1 3.97Å; F6-L9 PolarHBondContact O-N 3.24Å; L9-N11 VanDerWaalsContact C-N 3.28Å; L9-N11 PolarHBondContact O-N 2.81Å; L9-L12 WeakPolarHBondContact O-CB 3.44Å; L9-L12 PolarHBondContact O-N 3.08Å; L9-L12 VanDerWaalsContact O-N 3.12Å; L9-V13 WeakPolarHBondContact O-CG2 3.39Å; L9-V13 PolarHBondContact O-N 3.41Å; L9-I291 HydrophobicContact CD2-CD1 4.06Å; L9-F292 HydrophobicContact CB-CE1 4.46Å; L9-F292 HydrophobicContact CD2-CE1 3.6Å; L9-F292 HydrophobicContact CD2-CZ 3.68Å; L9-F292 HydrophobicContact CG-CE1 3.82Å; L9-F292 HydrophobicContact CG-CZ 3.83Å; L9-L305 HydrophobicContact CD2-CD1 3.58Å; L9-L305 HydrophobicContact CD2-CD2 3.7Å; L9-L305 HydrophobicContact CD2-CG 4.28Å; L9-V325 HydrophobicContact CB-CG2 4.32Å
10R83.6Confident75.5Confident98 Ų9857.7 Ų57.737%0.3731%0.312SS..Hα-helixtrans-59.5-40.4177.2-171.2176.8-178.3-860.9111.7L14 E324R10-L14 HydrophobicContact CG-CB 4.37Å; R10-L14 HydrophobicContact CG-CD2 4.41Å; R10-L14 VanDerWaalsContact NH2-CD2 3.26Å; R10-L14 WeakPolarHBondContact O-CA 3.38Å; R10-L14 WeakPolarHBondContact O-CB 3.4Å; R10-L14 PolarHBondContact O-N 2.92Å; R10-E324 WeakPolarHBondContact CD-OE1 3.33Å; R10-E324 IonicContact CZ-OE1 3.84Å; R10-E324 IonicContact NE-OE1 2.85Å; R10-E324 PolarHBondContact NE-OE1 3.29Å; R10-E324 IonicContact NH2-OE1 2.6Å
11N86.3Confident76.4Confident79 Ų7957.4 Ų57.442%0.42231%0.31SS..Iπ-helixtrans-62.7-42.8175.7-176.154.3000112.1S8 L9 N15 K16S8-N11 WeakPolarHBondContact O-CB 3.12Å; S8-N11 PolarHBondContact O-N 2.7Å; L9-N11 VanDerWaalsContact C-N 3.28Å; L9-N11 PolarHBondContact O-N 2.81Å; N11-N15 WeakPolarHBondContact O-CA 3.27Å; N11-N15 VanDerWaalsContact O-CB 3.29Å; N11-N15 WeakPolarHBondContact O-CB 3.18Å; N11-N15 PolarHBondContact O-N 3.28Å; N11-N15 WeakPolarHBondContact OD1-CB 3.26Å; N11-N15 PolarHBondContact OD1-ND2 3.01Å; N11-K16 PolarHBondContact O-N 3.4Å
12L87.2Confident79.5Confident4 Ų448.5 Ų48.52%0.02127%0.267CS..Iπ-helixtrans-60.6-54.4175.9174.263.3000111.7S8 L9 K16 A301 L302S8-L12 PolarHBondContact O-N 2.69Å; L9-L12 WeakPolarHBondContact O-CB 3.44Å; L9-L12 PolarHBondContact O-N 3.08Å; L9-L12 VanDerWaalsContact O-N 3.12Å; L12-K16 HydrophobicContact CD1-CD 4.19Å; L12-K16 WeakPolarHBondContact O-CB 3.29Å; L12-K16 PolarHBondContact O-N 2.73Å; L12-A301 HydrophobicContact CD1-CB 3.98Å; L12-A301 HydrophobicContact CD2-CB 4.06Å; L12-L302 HydrophobicContact CD2-CD2 4.3Å; L12-L302 HydrophobicContact CG-CD2 4.05Å
13V93.4Very high82.3Confident0 Ų050.1 Ų50.10%027%0.269CS..Iπ-helixtrans-76.3-40.6-173.1-164.40000111.9L9 N18 L302 L305 V325 L328 M329L9-V13 WeakPolarHBondContact O-CG2 3.39Å; L9-V13 PolarHBondContact O-N 3.41Å; V13-N18 PolarHBondContact O-N 2.99Å; V13-N18 PolarHBondContact O-ND2 2.89Å; V13-L302 HydrophobicContact CB-CD2 4.11Å; V13-L302 HydrophobicContact CG1-CD2 4.06Å; V13-L302 HydrophobicContact CG2-CD2 3.6Å; V13-L305 HydrophobicContact CG2-CD2 4.06Å; V13-V325 HydrophobicContact CG2-CG1 4.07Å; V13-L328 HydrophobicContact CB-CB 4.3Å; V13-L328 HydrophobicContact CG1-CB 3.44Å; V13-L328 VanDerWaalsContact CG1-CB 3.44Å; V13-M329 HydrophobicContact CG1-CG 3.75Å; V13-M329 HydrophobicContact CG2-CG 4.38Å
14L92.7Very high84.7Confident10 Ų1048 Ų485%0.05227%0.272CS..Iπ-helixtrans-82.3-56.2-177.7-171.658.3000112.3R10 N18 N19 L22 L328R10-L14 HydrophobicContact CG-CB 4.37Å; R10-L14 HydrophobicContact CG-CD2 4.41Å; R10-L14 VanDerWaalsContact NH2-CD2 3.26Å; R10-L14 WeakPolarHBondContact O-CA 3.38Å; R10-L14 WeakPolarHBondContact O-CB 3.4Å; R10-L14 PolarHBondContact O-N 2.92Å; L14-N18 HydrophobicContact CD1-CB 4.12Å; L14-N18 CarbonylContact O-C 3.42Å; L14-N18 WeakPolarHBondContact O-CA 3.4Å; L14-N18 PolarHBondContact O-N 3.25Å; L14-N19 PolarHBondContact O-N 3.33Å; L14-L22 HydrophobicContact CD1-CD2 3.92Å; L14-L22 HydrophobicContact CD1-CG 4.26Å; L14-L22 HydrophobicContact CD2-CD2 3.56Å; L14-L22 HydrophobicContact CG-CD2 3.64Å; L14-L22 HydrophobicContact CG-CG 4.17Å; L14-L328 HydrophobicContact CB-CD1 4.16Å; L14-L328 HydrophobicContact CD1-CD1 4.3Å; L14-L328 HydrophobicContact CD1-CD2 3.93Å
15N89.9Confident87Confident65 Ų6546.2 Ų46.235%0.34826%0.262SS..Iπ-helixtrans-80.8-31.5-168-61.3-18.9000112.8N11 L22N11-N15 WeakPolarHBondContact O-CA 3.27Å; N11-N15 VanDerWaalsContact O-CB 3.29Å; N11-N15 WeakPolarHBondContact O-CB 3.18Å; N11-N15 PolarHBondContact O-N 3.28Å; N11-N15 WeakPolarHBondContact OD1-CB 3.26Å; N11-N15 PolarHBondContact OD1-ND2 3.01Å; N15-L22 WeakPolarHBondContact OD1-CD1 3.38Å
16K88.7Confident88.8Confident67 Ų6743.5 Ų43.529%0.29124%0.244SC..Iπ-helixtrans-87.6-37.9177.7-56.5-163.6-175.9178.10113.2N11 L12 S298N11-K16 PolarHBondContact O-N 3.4Å; L12-K16 HydrophobicContact CD1-CD 4.19Å; L12-K16 WeakPolarHBondContact O-CB 3.29Å; L12-K16 PolarHBondContact O-N 2.73Å; K16-S298 WeakPolarHBondContact CD-OG 3.45Å
17C95.9Very high90.7Very high1 Ų146.5 Ų46.51%0.00725%0.254CS..THydrogen-bonded Turntrans-109.3-17.7-172.6-55.70000114Y243 I244 L302C17-Y243 HydrophobicContact CB-CD2 3.71Å; C17-Y243 HydrophobicContact CB-CE2 4.26Å; C17-Y243 HydrophobicContact CB-CG 3.98Å; C17-Y243 WeakPolarHBondContact O-CD2 3.25Å; C17-I244 CarbonylContact O-C 3.36Å; C17-I244 VanDerWaalsContact O-C 3.28Å; C17-I244 PolarHBondContact O-N 3.12Å; C17-L302 HydrophobicContact CB-CD1 3.74Å; C17-L302 VanDerWaalsContact SG-CD1 3.52Å
18N97.6Very high92.2Very high0 Ų048.3 Ų48.30%027%0.27CS..  trans-131.529.7-175.7-70.4-65.6000113.9V13 L14 F20 L21 Y243 I244 L328 V331V13-N18 PolarHBondContact O-N 2.99Å; V13-N18 PolarHBondContact O-ND2 2.89Å; L14-N18 HydrophobicContact CD1-CB 4.12Å; L14-N18 CarbonylContact O-C 3.42Å; L14-N18 WeakPolarHBondContact O-CA 3.4Å; L14-N18 PolarHBondContact O-N 3.25Å; N18-F20 PolarHBondContact O-N 2.89Å; N18-F20 VanDerWaalsContact O-N 3.11Å; N18-L21 HydrophobicContact CB-CD1 4.01Å; N18-L21 HydrophobicContact CB-CG 4.22Å; N18-L21 WeakPolarHBondContact O-CB 3.48Å; N18-L21 PolarHBondContact O-N 3.22Å; N18-Y243 WeakPolarHBondContact OD1-CA 3.16Å; N18-Y243 WeakPolarHBondContact OD1-CB 3.36Å; N18-I244 CarbonylContact C-O 3.54Å; N18-I244 VanDerWaalsContact CA-O 3.25Å; N18-I244 WeakPolarHBondContact CA-O 3.2Å; N18-I244 PolarHBondContact OD1-N 3.24Å; N18-I244 VanDerWaalsContact OD1-N 3.07Å; N18-L328 PolarHBondContact ND2-O 3.24Å; N18-V331 WeakPolarHBondContact OD1-CG2 3.39Å
19N97Very high93Very high46 Ų4653.1 Ų53.125%0.24629%0.286CS..G310 helixtrans-62.5-20.9-17868.12.1000112.7L14 L21 L22 F245 E246L14-N19 PolarHBondContact O-N 3.33Å; N19-L21 PolarHBondContact O-N 2.6Å; N19-L22 HydrophobicContact CB-CD1 4.24Å; N19-L22 WeakPolarHBondContact O-CB 3.28Å; N19-L22 PolarHBondContact O-N 3.02Å; N19-L22 VanDerWaalsContact O-N 3.14Å; N19-F245 WeakPolarHBondContact OD1-CA 3.43Å; N19-F245 VanDerWaalsContact OD1-CB 3.27Å; N19-F245 WeakPolarHBondContact OD1-CB 3.46Å; N19-E246 PolarHBondContact ND2-O 3Å; N19-E246 PolarHBondContact OD1-N 2.68Å; N19-E246 PolarHBondContact OD1-O 3.46Å
20F97.4Very high93.5Very high1 Ų153.8 Ų53.80%0.00429%0.291CS..G310 helixtrans-67.9-21.6175.2-169.9-113.4000112.4N18 S25 R27 F42 I244 E246 V251N18-F20 PolarHBondContact O-N 2.89Å; N18-F20 VanDerWaalsContact O-N 3.11Å; F20-S25 WeakPolarHBondContact O-CB 3.36Å; F20-S25 PolarHBondContact O-OG 3.48Å; F20-R27 HydrophobicContact CD1-CB 4.3Å; F20-R27 HydrophobicContact CD1-CG 4.33Å; F20-R27 HydrophobicContact CD2-CB 4.27Å; F20-R27 HydrophobicContact CE1-CB 3.92Å; F20-R27 HydrophobicContact CE1-CG 3.76Å; F20-R27 VanDerWaalsContact CE2-CA 3.49Å; F20-R27 HydrophobicContact CE2-CB 3.88Å; F20-R27 HydrophobicContact CG-CB 4.48Å; F20-R27 VanDerWaalsContact CZ-CA 3.46Å; F20-R27 HydrophobicContact CZ-CB 3.72Å; F20-R27 HydrophobicContact CZ-CG 3.91Å; F20-F42 AromaticContact CE1-CD2 3.99Å; F20-F42 HydrophobicContact CE1-CD2 3.99Å; F20-F42 HydrophobicContact CE1-CE1 4.49Å; F20-F42 AromaticContact CE1-CE2 3.86Å; F20-F42 HydrophobicContact CE1-CE2 3.86Å; F20-F42 HydrophobicContact CE1-CG 4.36Å; F20-F42 HydrophobicContact CE1-CZ 4.09Å; F20-F42 HydrophobicContact CZ-CB 4.46Å; F20-F42 HydrophobicContact CZ-CD1 4.21Å; F20-F42 HydrophobicContact CZ-CD2 4.12Å; F20-F42 HydrophobicContact CZ-CE1 4.39Å; F20-F42 HydrophobicContact CZ-CE2 4.33Å; F20-F42 HydrophobicContact CZ-CG 4.04Å; F20-F42 HydrophobicContact CZ-CZ 4.43Å; F20-I244 HydrophobicContact CB-CG1 4.15Å; F20-I244 HydrophobicContact CB-CG2 4.39Å; F20-I244 VanDerWaalsContact CB-O 3.31Å; F20-I244 WeakPolarHBondContact CB-O 3.38Å; F20-I244 HydrophobicContact CD1-CD1 3.46Å; F20-I244 VanDerWaalsContact CD1-CD1 3.46Å; F20-I244 HydrophobicContact CD1-CG1 3.65Å; F20-I244 HydrophobicContact CD1-CG2 4.12Å; F20-I244 HydrophobicContact CE1-CD1 3.65Å; F20-I244 HydrophobicContact CE1-CG1 4.31Å; F20-I244 HydrophobicContact CG-CD1 4.36Å; F20-I244 HydrophobicContact CG-CG1 4.12Å; F20-E246 HydrophobicContact CD2-CB 4.04Å; F20-E246 HydrophobicContact CD2-CG 4.17Å; F20-V251 HydrophobicContact CD1-CG1 4.34Å; F20-V251 HydrophobicContact CD2-CG1 4.18Å; F20-V251 HydrophobicContact CD2-CG2 4.25Å; F20-V251 HydrophobicContact CE1-CG1 4.11Å; F20-V251 HydrophobicContact CE2-CB 4.48Å; F20-V251 HydrophobicContact CE2-CG1 3.95Å; F20-V251 HydrophobicContact CE2-CG2 3.63Å; F20-V251 HydrophobicContact CG-CG1 4.35Å; F20-V251 HydrophobicContact CZ-CG1 3.9Å; F20-V251 HydrophobicContact CZ-CG2 4.06Å
21L96.4Very high94.1Very high53 Ų5351.4 Ų51.428%0.27728%0.282SS..G310 helixtrans-84.4-11175.5-53.7-173.8000113.1N18 N19 I244 L328 V331N18-L21 HydrophobicContact CB-CD1 4.01Å; N18-L21 HydrophobicContact CB-CG 4.22Å; N18-L21 WeakPolarHBondContact O-CB 3.48Å; N18-L21 PolarHBondContact O-N 3.22Å; N19-L21 PolarHBondContact O-N 2.6Å; L21-I244 HydrophobicContact CD2-CG2 3.72Å; L21-I244 HydrophobicContact CG-CG2 4.1Å; L21-L328 HydrophobicContact CD1-CD2 4.33Å; L21-V331 HydrophobicContact CD1-CG1 4.12Å; L21-V331 HydrophobicContact CD1-CG2 3.86Å
22L95.9Very high94.5Very high47 Ų4749.7 Ų49.725%0.24627%0.271CS..SBendtrans-77.9148.1-177-70.5173.3000112.1L14 N15 N19 G24 S25L14-L22 HydrophobicContact CD1-CD2 3.92Å; L14-L22 HydrophobicContact CD1-CG 4.26Å; L14-L22 HydrophobicContact CD2-CD2 3.56Å; L14-L22 HydrophobicContact CG-CD2 3.64Å; L14-L22 HydrophobicContact CG-CG 4.17Å; N15-L22 WeakPolarHBondContact OD1-CD1 3.38Å; N19-L22 HydrophobicContact CB-CD1 4.24Å; N19-L22 WeakPolarHBondContact O-CB 3.28Å; N19-L22 PolarHBondContact O-N 3.02Å; N19-L22 VanDerWaalsContact O-N 3.14Å; L22-G24 PolarHBondContact O-N 2.9Å; L22-S25 WeakPolarHBondContact O-CB 3.44Å; L22-S25 PolarHBondContact O-N 3.43Å; L22-S25 VanDerWaalsContact O-N 3.16Å; L22-S25 PolarHBondContact O-OG 3.49Å
23P95.7Very high95Very high130 Ų13049.5 Ų49.584%0.84427%0.27SS*.THydrogen-bonded Turntrans-53.8132.4166.4-23.833.9000111.2
24G94.9Very high95.1Very high78 Ų7849.7 Ų49.780%0.80427%0.271SS*.THydrogen-bonded Turntrans94.4-6.3-178.600000114.9L22L22-G24 PolarHBondContact O-N 2.9Å
25S96.6Very high95.2Very high19 Ų1949.3 Ų49.313%0.13327%0.269CS..SBendtrans-63.3172.5170.277.20000112.4F20 L22 R27 E246F20-S25 WeakPolarHBondContact O-CB 3.36Å; F20-S25 PolarHBondContact O-OG 3.48Å; L22-S25 WeakPolarHBondContact O-CB 3.44Å; L22-S25 PolarHBondContact O-N 3.43Å; L22-S25 VanDerWaalsContact O-N 3.16Å; L22-S25 PolarHBondContact O-OG 3.49Å; S25-R27 PolarHBondContact O-N 2.85Å; S25-R27 WeakPolarHBondContact OG-CB 3.34Å; S25-R27 PolarHBondContact OG-N 2.83Å; S25-E246 WeakPolarHBondContact CA-OE1 3.43Å; S25-E246 WeakPolarHBondContact CB-OE1 3.34Å
26S95.9Very high95.2Very high6 Ų651 Ų514%0.04228%0.277CS..SBendtrans-79.1-0.4174.5790000114.7D28 K29 C30 H44 E246S26-D28 PolarHBondContact O-N 3.47Å; S26-K29 CarbonylContact O-C 3.6Å; S26-K29 WeakPolarHBondContact O-CA 3.4Å; S26-K29 WeakPolarHBondContact O-CB 3.39Å; S26-K29 PolarHBondContact O-N 3.38Å; S26-C30 PolarHBondContact O-N 3.05Å; S26-C30 PolarHBondContact O-SG 3.43Å; S26-C30 PolarHBondContact OG-SG 3.45Å; S26-H44 WeakPolarHBondContact CB-CD2 3.33Å; S26-H44 WeakPolarHBondContact CB-NE2 3.42Å; S26-H44 PolarHBondContact OG-CD2 2.93Å; S26-E246 WeakPolarHBondContact CB-OE2 3.48Å; S26-E246 PolarHBondContact N-OE1 3.16Å; S26-E246 PolarHBondContact N-OE2 2.97Å; S26-E246 PolarHBondContact OG-OE2 3.49Å
27R95.4Very high95.3Very high108 Ų10849.6 Ų49.641%0.40828%0.282SS..G310 helixtrans-48-51.6-170.6-178.6179.6-179179.72.8114.5F20 S25 K29 C30F20-R27 HydrophobicContact CD1-CB 4.3Å; F20-R27 HydrophobicContact CD1-CG 4.33Å; F20-R27 HydrophobicContact CD2-CB 4.27Å; F20-R27 HydrophobicContact CE1-CB 3.92Å; F20-R27 HydrophobicContact CE1-CG 3.76Å; F20-R27 VanDerWaalsContact CE2-CA 3.49Å; F20-R27 HydrophobicContact CE2-CB 3.88Å; F20-R27 HydrophobicContact CG-CB 4.48Å; F20-R27 VanDerWaalsContact CZ-CA 3.46Å; F20-R27 HydrophobicContact CZ-CB 3.72Å; F20-R27 HydrophobicContact CZ-CG 3.91Å; S25-R27 PolarHBondContact O-N 2.85Å; S25-R27 WeakPolarHBondContact OG-CB 3.34Å; S25-R27 PolarHBondContact OG-N 2.83Å; R27-K29 PolarHBondContact O-N 3.09Å; R27-C30 PolarHBondContact O-N 2.93Å
28D93.2Very high95.2Very high161 Ų16153 Ų5386%0.86130%0.296SS*.G310 helixtrans-77-5.5-177.4-59.8-28.1000113.4S26S26-D28 PolarHBondContact O-N 3.47Å
29K93.9Very high95Very high139 Ų13953.6 Ų53.660%0.60430%0.298SS*.G310 helixtrans-104.5-20.4178.9-55.3169.9-173.3159.90111.8S26 R27 P45S26-K29 CarbonylContact O-C 3.6Å; S26-K29 WeakPolarHBondContact O-CA 3.4Å; S26-K29 WeakPolarHBondContact O-CB 3.39Å; S26-K29 PolarHBondContact O-N 3.38Å; R27-K29 PolarHBondContact O-N 3.09Å; K29-P45 HydrophobicContact CB-CG 4Å; K29-P45 WeakPolarHBondContact O-CG 3.37Å
30C95.8Very high95Very high18 Ų1851.7 Ų51.712%0.12229%0.288CS..PPolyproline II helixtrans-64143.8179.1-77.70000112S26 R27 F42 I43S26-C30 PolarHBondContact O-N 3.05Å; S26-C30 PolarHBondContact O-SG 3.43Å; S26-C30 PolarHBondContact OG-SG 3.45Å; R27-C30 PolarHBondContact O-N 2.93Å; C30-F42 HydrophobicContact CB-CB 4.1Å; C30-F42 HydrophobicContact CB-CD1 3.68Å; C30-F42 HydrophobicContact CB-CG 4.31Å; C30-I43 WeakPolarHBondContact CA-O 3.16Å
31Y96.1Very high95Very high47 Ų4751.6 Ų51.618%0.18429%0.288CS..EExtended strand (participates in β ladder)trans-83.5139.5169.2-66.6-103.4000108.7I43 P45 L48 H69 I71Y31-I43 PolarHBondContact N-O 3.24Å; Y31-I43 PolarHBondContact O-N 2.96Å; Y31-P45 HydrophobicContact CE2-CB 4.42Å; Y31-P45 HydrophobicContact CE2-CG 4.27Å; Y31-L48 HydrophobicContact CD1-CD1 4.13Å; Y31-L48 HydrophobicContact CD2-CD1 4.03Å; Y31-L48 HydrophobicContact CD2-CD2 4.27Å; Y31-L48 HydrophobicContact CE1-CD1 4.2Å; Y31-L48 HydrophobicContact CE1-CD2 3.92Å; Y31-L48 HydrophobicContact CE2-CD1 4.14Å; Y31-L48 HydrophobicContact CE2-CD2 3.54Å; Y31-L48 HydrophobicContact CE2-CG 4.29Å; Y31-L48 HydrophobicContact CG-CD1 4.06Å; Y31-L48 VanDerWaalsContact OH-CD2 3.32Å; Y31-L48 WeakPolarHBondContact OH-CD2 3.34Å; Y31-H69 HydrophobicContact CD1-CB 3.6Å; Y31-H69 HydrophobicContact CE1-CB 3.6Å; Y31-I71 HydrophobicContact CD1-CG1 4.46Å; Y31-I71 HydrophobicContact CG-CG1 4.46Å
32K95.9Very high95Very high44 Ų4449.8 Ų49.819%0.19128%0.278CS..EExtended strand (participates in β ladder)trans-72.4132.3170.2-65.8-177.6172.8172.90109.2L34 F39 D68 H69 C70 I71K32-L34 HydrophobicContact CB-CD2 4.33Å; K32-F39 HydrophobicContact CB-CD2 3.78Å; K32-F39 HydrophobicContact CB-CE2 3.66Å; K32-F39 HydrophobicContact CB-CZ 4.38Å; K32-F39 HydrophobicContact CD-CD1 4.28Å; K32-F39 HydrophobicContact CD-CD2 4.28Å; K32-F39 HydrophobicContact CD-CE1 4.25Å; K32-F39 HydrophobicContact CD-CE2 4.21Å; K32-F39 HydrophobicContact CD-CG 4.33Å; K32-F39 HydrophobicContact CD-CZ 4.22Å; K32-F39 HydrophobicContact CG-CD2 4.02Å; K32-F39 HydrophobicContact CG-CE1 4.34Å; K32-F39 HydrophobicContact CG-CE2 3.6Å; K32-F39 HydrophobicContact CG-CZ 3.81Å; K32-D68 HydrophobicContact CD-CB 4.37Å; K32-D68 WeakPolarHBondContact CE-OD2 3.42Å; K32-D68 IonicContact NZ-OD2 3.19Å; K32-D68 PolarHBondContact NZ-OD2 2.95Å; K32-H69 PolarHBondContact N-O 3.45Å; K32-C70 CarbonylContact O-C 3.59Å; K32-C70 WeakPolarHBondContact O-CA 3.29Å; K32-I71 PolarHBondContact O-N 3.22Å
33F97Very high95.1Very high0 Ų047.6 Ų47.60%027%0.266CS..EExtended strand (participates in β ladder)trans-93.5118.8170.8-175.6-142.2000108.6L35 V40 G41 I43 F58 I71 V73 L123 L133 I135F33-L35 HydrophobicContact CE1-CD1 4.47Å; F33-L35 HydrophobicContact CE1-CG 4.48Å; F33-L35 HydrophobicContact CE2-CD2 4.25Å; F33-L35 HydrophobicContact CZ-CD1 4.45Å; F33-L35 HydrophobicContact CZ-CD2 3.95Å; F33-L35 HydrophobicContact CZ-CG 4.17Å; F33-V40 HydrophobicContact CD1-CG2 3.77Å; F33-V40 HydrophobicContact CE1-CG2 4.16Å; F33-V40 HydrophobicContact CG-CG2 4.25Å; F33-V40 WeakPolarHBondContact O-CG2 3.32Å; F33-V40 PolarHBondContact O-N 2.98Å; F33-G41 WeakPolarHBondContact CA-O 3.46Å; F33-G41 VanDerWaalsContact CB-O 3.27Å; F33-G41 WeakPolarHBondContact CB-O 3.4Å; F33-G41 PolarHBondContact N-O 3.37Å; F33-G41 PolarHBondContact O-N 3.08Å; F33-I43 HydrophobicContact CB-CD1 3.77Å; F33-I43 HydrophobicContact CB-CG1 4.14Å; F33-I43 HydrophobicContact CD2-CD1 3.88Å; F33-I43 HydrophobicContact CG-CD1 3.9Å; F33-F58 HydrophobicContact CE2-CD1 4.35Å; F33-F58 HydrophobicContact CE2-CE1 4.03Å; F33-F58 HydrophobicContact CZ-CE1 4.15Å; F33-I71 CarbonylContact C-O 3.39Å; F33-I71 WeakPolarHBondContact CA-O 3.21Å; F33-I71 HydrophobicContact CD2-CG2 4.46Å; F33-I71 WeakPolarHBondContact CD2-O 3.18Å; F33-V73 HydrophobicContact CE2-CG2 4.18Å; F33-V73 HydrophobicContact CZ-CG2 4.03Å; F33-L123 HydrophobicContact CE1-CD2 4.3Å; F33-L123 HydrophobicContact CZ-CD2 4.22Å; F33-L133 HydrophobicContact CD1-CB 4.06Å; F33-L133 HydrophobicContact CE1-CB 4.17Å; F33-L133 HydrophobicContact CE1-CD1 3.88Å; F33-L133 HydrophobicContact CE1-CG 4.47Å; F33-L133 HydrophobicContact CZ-CD1 4.22Å; F33-I135 HydrophobicContact CD1-CD1 3.58Å; F33-I135 HydrophobicContact CE1-CD1 3.86Å
34L95.2Very high95.1Very high4 Ų443.2 Ų43.22%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-110.4143.4-178.1-56.5-175.6000111K32 Y38 F39 T61 C70 I71 T72K32-L34 HydrophobicContact CB-CD2 4.33Å; L34-Y38 CarbonylContact C-O 3.6Å; L34-Y38 WeakPolarHBondContact CA-O 3.42Å; L34-F39 HydrophobicContact CD2-CB 3.8Å; L34-F39 HydrophobicContact CD2-CD2 4.3Å; L34-F39 HydrophobicContact CD2-CG 4.4Å; L34-T61 HydrophobicContact CD1-CG2 4.35Å; L34-C70 HydrophobicContact CD1-CB 3.72Å; L34-C70 HydrophobicContact CG-CB 3.94Å; L34-I71 PolarHBondContact N-O 3.45Å; L34-T72 VanDerWaalsContact O-CA 3.29Å; L34-T72 WeakPolarHBondContact O-CA 3.41Å; L34-T72 WeakPolarHBondContact O-CB 3.36Å; L34-T72 PolarHBondContact O-OG1 3.48Å; L34-T72 VanDerWaalsContact O-OG1 3.11Å
35L94.5Very high95.1Very high1 Ų141.7 Ų41.71%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-133.8124.5166.2-68177.4000107.9F33 G37 Y38 V40 V73 V113 L122 L123F33-L35 HydrophobicContact CE1-CD1 4.47Å; F33-L35 HydrophobicContact CE1-CG 4.48Å; F33-L35 HydrophobicContact CE2-CD2 4.25Å; F33-L35 HydrophobicContact CZ-CD1 4.45Å; F33-L35 HydrophobicContact CZ-CD2 3.95Å; F33-L35 HydrophobicContact CZ-CG 4.17Å; L35-G37 PolarHBondContact O-N 2.81Å; L35-Y38 PolarHBondContact N-O 2.88Å; L35-Y38 WeakPolarHBondContact O-CB 3.42Å; L35-Y38 WeakPolarHBondContact O-CD2 3.43Å; L35-Y38 PolarHBondContact O-N 2.91Å; L35-V40 HydrophobicContact CB-CG2 4.34Å; L35-V40 HydrophobicContact CD1-CG2 4.02Å; L35-V40 HydrophobicContact CG-CG2 3.92Å; L35-V73 HydrophobicContact CD2-CB 3.78Å; L35-V73 HydrophobicContact CD2-CG2 3.55Å; L35-V113 HydrophobicContact CD1-CB 4.47Å; L35-V113 HydrophobicContact CD1-CG1 3.98Å; L35-L122 HydrophobicContact CB-CB 4.18Å; L35-L122 HydrophobicContact CB-CD1 3.75Å; L35-L122 HydrophobicContact CD1-CB 3.82Å; L35-L123 HydrophobicContact CD1-CB 3.61Å; L35-L123 HydrophobicContact CD1-CD2 4.01Å; L35-L123 HydrophobicContact CD1-CG 4.46Å
36D90.4Very high95Very high100 Ų10045.1 Ų45.154%0.53523%0.225SC..THydrogen-bonded Turntrans52.526.1-175.9-62.2-36000115.3Y38 R83D36-Y38 VanDerWaalsContact C-N 3.31Å; D36-Y38 HydrophobicContact CB-CD2 4.14Å; D36-Y38 HydrophobicContact CB-CE2 4.41Å; D36-R83 IonicContact OD1-CZ 2.81Å; D36-R83 IonicContact OD1-NH1 3.08Å; D36-R83 IonicContact OD1-NH2 2.7Å; D36-R83 PolarHBondContact OD1-NH2 3.03Å; D36-R83 IonicContact OD2-CZ 3.61Å; D36-R83 IonicContact OD2-NH1 3.71Å; D36-R83 PolarHBondContact OD2-NH1 2.95Å; D36-R83 IonicContact OD2-NH2 3.17Å; D36-R83 PolarHBondContact OD2-NH2 3.11Å
37G89.7Confident94.9Very high38 Ų3845 Ų4539%0.39222%0.224SC..THydrogen-bonded Turntrans89.5-12.4-176.700000114.4L35L35-G37 PolarHBondContact O-N 2.81Å
38Y93.9Very high94.9Very high74 Ų7440.2 Ų40.229%0.2921%0.206SC..EExtended strand (participates in β ladder)trans-77.8135.3174.5-60.8-70.5000111.5L34 L35 D36 V40 I115 L122 D336L34-Y38 CarbonylContact C-O 3.6Å; L34-Y38 WeakPolarHBondContact CA-O 3.42Å; L35-Y38 PolarHBondContact N-O 2.88Å; L35-Y38 WeakPolarHBondContact O-CB 3.42Å; L35-Y38 WeakPolarHBondContact O-CD2 3.43Å; L35-Y38 PolarHBondContact O-N 2.91Å; D36-Y38 VanDerWaalsContact C-N 3.31Å; D36-Y38 HydrophobicContact CB-CD2 4.14Å; D36-Y38 HydrophobicContact CB-CE2 4.41Å; Y38-V40 PolarHBondContact O-N 2.89Å; Y38-I115 HydrophobicContact CD1-CD1 4.43Å; Y38-I115 HydrophobicContact CD1-CG2 4.42Å; Y38-I115 HydrophobicContact CD2-CD1 3.76Å; Y38-I115 HydrophobicContact CD2-CG2 4.33Å; Y38-I115 HydrophobicContact CE1-CD1 4.2Å; Y38-I115 HydrophobicContact CE2-CD1 3.47Å; Y38-I115 VanDerWaalsContact CE2-CD1 3.47Å; Y38-I115 HydrophobicContact CG-CD1 4.21Å; Y38-I115 HydrophobicContact CG-CG2 3.98Å; Y38-L122 HydrophobicContact CD2-CD1 3.79Å; Y38-L122 HydrophobicContact CG-CD1 4.35Å; Y38-D336 WeakPolarHBondContact CA-OD2 3Å; Y38-D336 HydrophobicContact CD1-CB 3.65Å; Y38-D336 HydrophobicContact CG-CB 4.34Å
39F94.4Very high95Very high11 Ų1138.2 Ų38.25%0.04820%0.196CC..EExtended strand (participates in β ladder)trans-83.6107.8174.8176.9-151.7000110.8K32 L34 G41 F42 P334 F335 D336K32-F39 HydrophobicContact CB-CD2 3.78Å; K32-F39 HydrophobicContact CB-CE2 3.66Å; K32-F39 HydrophobicContact CB-CZ 4.38Å; K32-F39 HydrophobicContact CD-CD1 4.28Å; K32-F39 HydrophobicContact CD-CD2 4.28Å; K32-F39 HydrophobicContact CD-CE1 4.25Å; K32-F39 HydrophobicContact CD-CE2 4.21Å; K32-F39 HydrophobicContact CD-CG 4.33Å; K32-F39 HydrophobicContact CD-CZ 4.22Å; K32-F39 HydrophobicContact CG-CD2 4.02Å; K32-F39 HydrophobicContact CG-CE1 4.34Å; K32-F39 HydrophobicContact CG-CE2 3.6Å; K32-F39 HydrophobicContact CG-CZ 3.81Å; L34-F39 HydrophobicContact CD2-CB 3.8Å; L34-F39 HydrophobicContact CD2-CD2 4.3Å; L34-F39 HydrophobicContact CD2-CG 4.4Å; F39-G41 WeakPolarHBondContact CE2-O 3.46Å; F39-F42 HydrophobicContact CE1-CZ 4.15Å; F39-F42 HydrophobicContact CE2-CD1 4.41Å; F39-F42 HydrophobicContact CE2-CE1 4.38Å; F39-F42 HydrophobicContact CE2-CZ 4.49Å; F39-F42 HydrophobicContact CZ-CD1 4.06Å; F39-F42 HydrophobicContact CZ-CD2 4.21Å; F39-F42 AromaticContact CZ-CE1 3.62Å; F39-F42 HydrophobicContact CZ-CE1 3.62Å; F39-F42 AromaticContact CZ-CE2 3.76Å; F39-F42 HydrophobicContact CZ-CE2 3.76Å; F39-F42 HydrophobicContact CZ-CG 4.37Å; F39-F42 AromaticContact CZ-CZ 3.47Å; F39-F42 HydrophobicContact CZ-CZ 3.47Å; F39-F42 VanDerWaalsContact CZ-CZ 3.47Å; F39-P334 WeakPolarHBondContact CD1-O 3.39Å; F39-P334 HydrophobicContact CE1-CB 3.98Å; F39-P334 HydrophobicContact CE1-CG 3.88Å; F39-P334 WeakPolarHBondContact CE1-O 3.47Å; F39-P334 HydrophobicContact CZ-CG 4.33Å; F39-F335 HydrophobicContact CD1-CD1 4.23Å; F39-F335 HydrophobicContact CD2-CD1 4.17Å; F39-F335 HydrophobicContact CD2-CE1 4.48Å; F39-F335 HydrophobicContact CE1-CD1 4.06Å; F39-F335 HydrophobicContact CE1-CE1 4.28Å; F39-F335 HydrophobicContact CE2-CD1 4.01Å; F39-F335 AromaticContact CE2-CE1 3.9Å; F39-F335 HydrophobicContact CE2-CE1 3.9Å; F39-F335 HydrophobicContact CG-CD1 4.26Å; F39-F335 AromaticContact CZ-CD1 3.93Å; F39-F335 HydrophobicContact CZ-CD1 3.93Å; F39-F335 AromaticContact CZ-CE1 3.76Å; F39-F335 HydrophobicContact CZ-CE1 3.76Å; F39-F335 WeakPolarHBondContact O-CA 3.31Å; F39-F335 VanDerWaalsContact O-CB 3.22Å; F39-F335 WeakPolarHBondContact O-CB 3.5Å; F39-D336 WeakPolarHBondContact CB-OD2 3.22Å; F39-D336 PolarHBondContact N-OD2 2.58Å; F39-D336 PolarHBondContact O-N 2.75Å
40V96.6Very high95.1Very high6 Ų634.7 Ų34.74%0.03618%0.179CC..EExtended strand (participates in β ladder)trans-115.8-9.2-168.7-64.60000114.4F33 L35 Y38 V113 I115 L122 I135F33-V40 HydrophobicContact CD1-CG2 3.77Å; F33-V40 HydrophobicContact CE1-CG2 4.16Å; F33-V40 HydrophobicContact CG-CG2 4.25Å; F33-V40 WeakPolarHBondContact O-CG2 3.32Å; F33-V40 PolarHBondContact O-N 2.98Å; L35-V40 HydrophobicContact CB-CG2 4.34Å; L35-V40 HydrophobicContact CD1-CG2 4.02Å; L35-V40 HydrophobicContact CG-CG2 3.92Å; Y38-V40 PolarHBondContact O-N 2.89Å; V40-V113 HydrophobicContact CB-CG1 3.66Å; V40-V113 HydrophobicContact CG1-CG1 4Å; V40-V113 HydrophobicContact CG2-CG1 3.94Å; V40-I115 HydrophobicContact CG1-CG2 4.11Å; V40-L122 HydrophobicContact CG1-CD1 4.2Å; V40-I135 HydrophobicContact CB-CD1 4.19Å; V40-I135 HydrophobicContact CG2-CD1 3.95Å; V40-I135 WeakPolarHBondContact O-CD1 3.23Å
41G97.5Very high95.2Very high0 Ų033.8 Ų33.80%017%0.173CC..EExtended strand (participates in β ladder)trans179.3172.5177.800000116F33 F39 L133 G134F33-G41 WeakPolarHBondContact CA-O 3.46Å; F33-G41 VanDerWaalsContact CB-O 3.27Å; F33-G41 WeakPolarHBondContact CB-O 3.4Å; F33-G41 PolarHBondContact N-O 3.37Å; F33-G41 PolarHBondContact O-N 3.08Å; F39-G41 WeakPolarHBondContact CE2-O 3.46Å; G41-L133 CarbonylContact C-O 3.51Å; G41-G134 CarbonylContact C-O 3.57Å; G41-G134 WeakPolarHBondContact CA-O 3.46Å
42F97.3Very high95.2Very high15 Ų1533.7 Ų33.77%0.06618%0.175CC..EExtended strand (participates in β ladder)trans-109.8128.4179.5-73-81.2000112.6F20 C30 F39 L133 G134 I244 V251 P334 F335F20-F42 AromaticContact CE1-CD2 3.99Å; F20-F42 HydrophobicContact CE1-CD2 3.99Å; F20-F42 HydrophobicContact CE1-CE1 4.49Å; F20-F42 AromaticContact CE1-CE2 3.86Å; F20-F42 HydrophobicContact CE1-CE2 3.86Å; F20-F42 HydrophobicContact CE1-CG 4.36Å; F20-F42 HydrophobicContact CE1-CZ 4.09Å; F20-F42 HydrophobicContact CZ-CB 4.46Å; F20-F42 HydrophobicContact CZ-CD1 4.21Å; F20-F42 HydrophobicContact CZ-CD2 4.12Å; F20-F42 HydrophobicContact CZ-CE1 4.39Å; F20-F42 HydrophobicContact CZ-CE2 4.33Å; F20-F42 HydrophobicContact CZ-CG 4.04Å; F20-F42 HydrophobicContact CZ-CZ 4.43Å; C30-F42 HydrophobicContact CB-CB 4.1Å; C30-F42 HydrophobicContact CB-CD1 3.68Å; C30-F42 HydrophobicContact CB-CG 4.31Å; F39-F42 HydrophobicContact CE1-CZ 4.15Å; F39-F42 HydrophobicContact CE2-CD1 4.41Å; F39-F42 HydrophobicContact CE2-CE1 4.38Å; F39-F42 HydrophobicContact CE2-CZ 4.49Å; F39-F42 HydrophobicContact CZ-CD1 4.06Å; F39-F42 HydrophobicContact CZ-CD2 4.21Å; F39-F42 AromaticContact CZ-CE1 3.62Å; F39-F42 HydrophobicContact CZ-CE1 3.62Å; F39-F42 AromaticContact CZ-CE2 3.76Å; F39-F42 HydrophobicContact CZ-CE2 3.76Å; F39-F42 HydrophobicContact CZ-CG 4.37Å; F39-F42 AromaticContact CZ-CZ 3.47Å; F39-F42 HydrophobicContact CZ-CZ 3.47Å; F39-F42 VanDerWaalsContact CZ-CZ 3.47Å; F42-L133 PolarHBondContact N-O 3Å; F42-L133 CarbonylContact O-C 3.59Å; F42-G134 PolarHBondContact N-O 2.87Å; F42-G134 WeakPolarHBondContact O-CA 3.26Å; F42-G134 PolarHBondContact O-N 2.97Å; F42-G134 VanDerWaalsContact O-N 3.16Å; F42-I244 HydrophobicContact CD2-CD1 4.15Å; F42-I244 HydrophobicContact CE2-CD1 4.12Å; F42-V251 HydrophobicContact CB-CB 4.05Å; F42-V251 HydrophobicContact CB-CG1 4.04Å; F42-V251 HydrophobicContact CB-CG2 3.98Å; F42-V251 HydrophobicContact CD2-CG1 4.28Å; F42-P334 HydrophobicContact CE2-CG 3.67Å; F42-P334 HydrophobicContact CZ-CG 3.77Å; F42-F335 AromaticContact CD2-CE1 3.68Å; F42-F335 HydrophobicContact CD2-CE1 3.68Å; F42-F335 AromaticContact CD2-CZ 3.74Å; F42-F335 HydrophobicContact CD2-CZ 3.74Å; F42-F335 AromaticContact CE2-CE1 3.69Å; F42-F335 HydrophobicContact CE2-CE1 3.69Å; F42-F335 AromaticContact CE2-CZ 3.88Å; F42-F335 HydrophobicContact CE2-CZ 3.88Å
43I97.1Very high95.3Very high0 Ų037.8 Ų37.80%019%0.193CC..EExtended strand (participates in β ladder)trans-102.5114.9173.2-68.3160.6000109.3C30 Y31 F33 F47 L51 I71 L133C30-I43 WeakPolarHBondContact CA-O 3.16Å; Y31-I43 PolarHBondContact N-O 3.24Å; Y31-I43 PolarHBondContact O-N 2.96Å; F33-I43 HydrophobicContact CB-CD1 3.77Å; F33-I43 HydrophobicContact CB-CG1 4.14Å; F33-I43 HydrophobicContact CD2-CD1 3.88Å; F33-I43 HydrophobicContact CG-CD1 3.9Å; I43-F47 HydrophobicContact CG2-CB 4.27Å; I43-L51 HydrophobicContact CD1-CD1 4.02Å; I43-L51 HydrophobicContact CG1-CD1 4.33Å; I43-L51 HydrophobicContact CG2-CD1 3.81Å; I43-I71 HydrophobicContact CD1-CB 3.7Å; I43-I71 HydrophobicContact CD1-CG1 4.08Å; I43-I71 HydrophobicContact CD1-CG2 3.87Å; I43-L133 HydrophobicContact CD1-CD2 4.03Å; I43-L133 HydrophobicContact CG1-CD2 4.11Å
44H96.1Very high95.4Very high39 Ų3939.6 Ų39.618%0.18120%0.2CC..  trans-64.2139.4174-172-77000110.7S26 M46 F47S26-H44 WeakPolarHBondContact CB-CD2 3.33Å; S26-H44 WeakPolarHBondContact CB-NE2 3.42Å; S26-H44 PolarHBondContact OG-CD2 2.93Å; H44-M46 HydrophobicContact CB-CG 4.42Å; H44-M46 WeakPolarHBondContact CE1-CE 3.41Å; H44-M46 WeakPolarHBondContact ND1-CB 3.32Å; H44-M46 VanDerWaalsContact ND1-CE 3.32Å; H44-M46 WeakPolarHBondContact ND1-CE 3.26Å; H44-M46 VanDerWaalsContact ND1-CG 3.28Å; H44-M46 WeakPolarHBondContact ND1-CG 3.38Å; H44-M46 PolarHBondContact ND1-N 3.23Å; H44-M46 PolarHBondContact O-N 2.94Å; H44-F47 HydrophobicContact CB-CD2 3.63Å; H44-F47 HydrophobicContact CB-CE2 3.62Å; H44-F47 PolarHBondContact O-N 2.79Å
45P93.9Very high95.4Very high45 Ų4542.2 Ų42.229%0.29222%0.223SC..Hα-helixtrans-51.4-33.3-178.4-31.736.9000115.2K29 Y31 F47 L48K29-P45 HydrophobicContact CB-CG 4Å; K29-P45 WeakPolarHBondContact O-CG 3.37Å; Y31-P45 HydrophobicContact CE2-CB 4.42Å; Y31-P45 HydrophobicContact CE2-CG 4.27Å; P45-F47 PolarHBondContact O-N 3.34Å; P45-F47 VanDerWaalsContact O-N 3.13Å; P45-L48 VanDerWaalsContact O-CB 3.27Å; P45-L48 WeakPolarHBondContact O-CB 3.47Å; P45-L48 PolarHBondContact O-N 2.85Å; P45-L48 VanDerWaalsContact O-N 3.07Å
46M94.2Very high95.5Very high92 Ų9247.6 Ų47.645%0.45325%0.251SS..Hα-helixtrans-58.1-23.8177.982.1175.172.300114.2H44H44-M46 HydrophobicContact CB-CG 4.42Å; H44-M46 WeakPolarHBondContact CE1-CE 3.41Å; H44-M46 WeakPolarHBondContact ND1-CB 3.32Å; H44-M46 VanDerWaalsContact ND1-CE 3.32Å; H44-M46 WeakPolarHBondContact ND1-CE 3.26Å; H44-M46 VanDerWaalsContact ND1-CG 3.28Å; H44-M46 WeakPolarHBondContact ND1-CG 3.38Å; H44-M46 PolarHBondContact ND1-N 3.23Å; H44-M46 PolarHBondContact O-N 2.94Å
47F95.5Very high95.9Very high2 Ų243.1 Ų43.11%0.00923%0.227CC..Hα-helixtrans-93.2-16.9179.4-53.6-58.5000112.9I43 H44 P45 D49 W50 L51 F100 L132I43-F47 HydrophobicContact CG2-CB 4.27Å; H44-F47 HydrophobicContact CB-CD2 3.63Å; H44-F47 HydrophobicContact CB-CE2 3.62Å; H44-F47 PolarHBondContact O-N 2.79Å; P45-F47 PolarHBondContact O-N 3.34Å; P45-F47 VanDerWaalsContact O-N 3.13Å; F47-D49 PolarHBondContact O-N 2.99Å; F47-W50 WeakPolarHBondContact O-CB 3.4Å; F47-W50 PolarHBondContact O-N 3.44Å; F47-L51 HydrophobicContact CB-CD1 4.42Å; F47-L51 PolarHBondContact O-N 3.47Å; F47-F100 HydrophobicContact CB-CZ 4.43Å; F47-F100 AromaticContact CD1-CD1 3.65Å; F47-F100 HydrophobicContact CD1-CD1 3.65Å; F47-F100 HydrophobicContact CD1-CD2 4.24Å; F47-F100 AromaticContact CD1-CE1 3.38Å; F47-F100 HydrophobicContact CD1-CE1 3.38Å; F47-F100 AromaticContact CD1-CE2 3.99Å; F47-F100 HydrophobicContact CD1-CE2 3.99Å; F47-F100 HydrophobicContact CD1-CG 4.09Å; F47-F100 AromaticContact CD1-CZ 3.55Å; F47-F100 HydrophobicContact CD1-CZ 3.55Å; F47-F100 AromaticContact CE1-CD1 3.59Å; F47-F100 HydrophobicContact CE1-CD1 3.59Å; F47-F100 AromaticContact CE1-CE1 3.77Å; F47-F100 HydrophobicContact CE1-CE1 3.77Å; F47-F100 HydrophobicContact CE1-CG 4.06Å; F47-F100 HydrophobicContact CE1-CZ 4.34Å; F47-F100 HydrophobicContact CG-CZ 4.47Å; F47-L132 HydrophobicContact CB-CD1 4.46Å; F47-L132 HydrophobicContact CB-CG 4.18Å; F47-L132 HydrophobicContact CD1-CD1 3.42Å; F47-L132 VanDerWaalsContact CD1-CD1 3.42Å; F47-L132 HydrophobicContact CD1-CG 3.83Å; F47-L132 HydrophobicContact CD2-CG 4.18Å; F47-L132 HydrophobicContact CE1-CD1 3.75Å; F47-L132 HydrophobicContact CE1-CG 4.29Å; F47-L132 HydrophobicContact CG-CD1 3.94Å; F47-L132 HydrophobicContact CG-CG 3.81Å; F47-L132 HydrophobicContact CZ-CD1 4.49Å
48L94.8Very high96.3Very high8 Ų841.3 Ų41.34%0.04221%0.209CC..Hα-helixtrans-59.6-53.3-167.6-17474.6000112.6Y31 P45 W50 L51 L52 I71Y31-L48 HydrophobicContact CD1-CD1 4.13Å; Y31-L48 HydrophobicContact CD2-CD1 4.03Å; Y31-L48 HydrophobicContact CD2-CD2 4.27Å; Y31-L48 HydrophobicContact CE1-CD1 4.2Å; Y31-L48 HydrophobicContact CE1-CD2 3.92Å; Y31-L48 HydrophobicContact CE2-CD1 4.14Å; Y31-L48 HydrophobicContact CE2-CD2 3.54Å; Y31-L48 HydrophobicContact CE2-CG 4.29Å; Y31-L48 HydrophobicContact CG-CD1 4.06Å; Y31-L48 VanDerWaalsContact OH-CD2 3.32Å; Y31-L48 WeakPolarHBondContact OH-CD2 3.34Å; P45-L48 VanDerWaalsContact O-CB 3.27Å; P45-L48 WeakPolarHBondContact O-CB 3.47Å; P45-L48 PolarHBondContact O-N 2.85Å; P45-L48 VanDerWaalsContact O-N 3.07Å; L48-W50 PolarHBondContact O-N 2.87Å; L48-W50 VanDerWaalsContact O-N 3.17Å; L48-L51 PolarHBondContact O-N 3.3Å; L48-L52 HydrophobicContact CD1-CD1 4.05Å; L48-L52 HydrophobicContact CD1-CG 4.42Å; L48-L52 HydrophobicContact CD2-CD1 4.32Å; L48-L52 HydrophobicContact CG-CD1 3.77Å; L48-L52 HydrophobicContact CG-CG 4.4Å; L48-L52 VanDerWaalsContact O-CG 3.32Å; L48-L52 WeakPolarHBondContact O-CG 3.5Å; L48-L52 PolarHBondContact O-N 3.44Å; L48-I71 HydrophobicContact CD1-CD1 3.41Å; L48-I71 VanDerWaalsContact CD1-CD1 3.41Å; L48-I71 HydrophobicContact CD1-CG1 3.68Å
49D94.9Very high96.5Very high119 Ų11939.5 Ų39.564%0.63621%0.205SC*.Hα-helixtrans-64.4-23.5-176.6-68.2-18.3000112.4F47 K53F47-D49 PolarHBondContact O-N 2.99Å; D49-K53 WeakPolarHBondContact O-CG 3.4Å
50W97.2Very high96.5Very high65 Ų6545 Ų4525%0.24623%0.229CC..Hα-helixtrans-78.3-45.5175.2-70.588.1000111.7F47 L48 L52 K53 Y54 L94 P99 F100F47-W50 WeakPolarHBondContact O-CB 3.4Å; F47-W50 PolarHBondContact O-N 3.44Å; L48-W50 PolarHBondContact O-N 2.87Å; L48-W50 VanDerWaalsContact O-N 3.17Å; W50-L52 VanDerWaalsContact C-N 3.31Å; W50-L52 PolarHBondContact O-N 2.88Å; W50-K53 WeakPolarHBondContact O-CB 3.42Å; W50-K53 PolarHBondContact O-N 3.23Å; W50-Y54 WeakPolarHBondContact O-CD2 3.46Å; W50-Y54 WeakPolarHBondContact O-CE2 3.49Å; W50-L94 HydrophobicContact CB-CD2 3.96Å; W50-L94 HydrophobicContact CD2-CD2 4.5Å; W50-L94 HydrophobicContact CE3-CD2 3.85Å; W50-P99 VanDerWaalsContact CZ2-CD 3.47Å; W50-P99 HydrophobicContact CZ2-CG 4.27Å; W50-F100 HydrophobicContact CB-CE2 3.77Å; W50-F100 HydrophobicContact CB-CZ 3.62Å; W50-F100 AromaticContact CD1-CE1 3.97Å; W50-F100 AromaticContact CD1-CZ 3.33Å; W50-F100 HydrophobicContact CD2-CE2 4.36Å; W50-F100 AromaticContact CD2-CZ 4Å; W50-F100 HydrophobicContact CD2-CZ 4Å; W50-F100 HydrophobicContact CG-CE1 4.33Å; W50-F100 AromaticContact CG-CE2 3.87Å; W50-F100 HydrophobicContact CG-CE2 3.87Å; W50-F100 AromaticContact CG-CZ 3.35Å; W50-F100 HydrophobicContact CG-CZ 3.35Å; W50-F100 AromaticContact NE1-CZ 3.89Å
51L97.2Very high96.3Very high0 Ų047.1 Ų47.10%024%0.242CC..Hα-helixtrans-61.7-40.8177-69.2172.6000111.5I43 F47 L48 K53 Y54 F58 M91 L94 L132 L133I43-L51 HydrophobicContact CD1-CD1 4.02Å; I43-L51 HydrophobicContact CG1-CD1 4.33Å; I43-L51 HydrophobicContact CG2-CD1 3.81Å; F47-L51 HydrophobicContact CB-CD1 4.42Å; F47-L51 PolarHBondContact O-N 3.47Å; L48-L51 PolarHBondContact O-N 3.3Å; L51-K53 PolarHBondContact O-N 3.34Å; L51-Y54 PolarHBondContact O-N 2.92Å; L51-F58 HydrophobicContact CB-CB 4.3Å; L51-F58 HydrophobicContact CB-CD2 4.3Å; L51-F58 HydrophobicContact CB-CG 4.25Å; L51-F58 HydrophobicContact CD2-CD2 3.88Å; L51-F58 HydrophobicContact CD2-CE1 4.46Å; L51-F58 HydrophobicContact CD2-CE2 3.72Å; L51-F58 HydrophobicContact CD2-CG 4.33Å; L51-F58 HydrophobicContact CD2-CZ 4.03Å; L51-M91 HydrophobicContact CD2-CE 4.01Å; L51-L94 HydrophobicContact CD2-CD1 4.06Å; L51-L132 HydrophobicContact CD1-CD2 4.33Å; L51-L132 HydrophobicContact CD2-CD2 3.86Å; L51-L132 HydrophobicContact CG-CD2 4.35Å; L51-L133 HydrophobicContact CD1-CD2 3.94Å; L51-L133 HydrophobicContact CD2-CD2 4.26Å
52L96.8Very high95.8Very high45 Ų4550.5 Ų50.524%0.23627%0.266CS..THydrogen-bonded Turntrans-73.2-8.2-177-65.6175.9000114.7L48 W50 Y54 K60 I71L48-L52 HydrophobicContact CD1-CD1 4.05Å; L48-L52 HydrophobicContact CD1-CG 4.42Å; L48-L52 HydrophobicContact CD2-CD1 4.32Å; L48-L52 HydrophobicContact CG-CD1 3.77Å; L48-L52 HydrophobicContact CG-CG 4.4Å; L48-L52 VanDerWaalsContact O-CG 3.32Å; L48-L52 WeakPolarHBondContact O-CG 3.5Å; L48-L52 PolarHBondContact O-N 3.44Å; W50-L52 VanDerWaalsContact C-N 3.31Å; W50-L52 PolarHBondContact O-N 2.88Å; L52-Y54 PolarHBondContact O-N 3.05Å; L52-K60 HydrophobicContact CD1-CD 4.26Å; L52-K60 HydrophobicContact CD1-CG 4.12Å; L52-K60 HydrophobicContact CD2-CG 4.02Å; L52-I71 HydrophobicContact CD2-CD1 4.13Å
53K97.7Very high95Very high129 Ų12950.7 Ų50.756%0.56127%0.267SS*.THydrogen-bonded Turntrans-64.5-24.9166.3-69170.6-173.5176.30111.6D49 W50 L51 A55D49-K53 WeakPolarHBondContact O-CG 3.4Å; W50-K53 WeakPolarHBondContact O-CB 3.42Å; W50-K53 PolarHBondContact O-N 3.23Å; L51-K53 PolarHBondContact O-N 3.34Å; K53-A55 PolarHBondContact O-N 3.32Å
54Y98.1Very high93.9Very high38 Ų3855.6 Ų55.615%0.14930%0.299CS..  trans-101.559.9178.3-50.4-91.4000109.8W50 L51 L52 N56 V57 F58 V90 D93 L94W50-Y54 WeakPolarHBondContact O-CD2 3.46Å; W50-Y54 WeakPolarHBondContact O-CE2 3.49Å; L51-Y54 PolarHBondContact O-N 2.92Å; L52-Y54 PolarHBondContact O-N 3.05Å; Y54-N56 PolarHBondContact O-N 3.22Å; Y54-N56 VanDerWaalsContact O-N 3.09Å; Y54-V57 CarbonylContact O-C 3.35Å; Y54-V57 WeakPolarHBondContact O-CA 3.19Å; Y54-V57 PolarHBondContact O-N 3.32Å; Y54-F58 PolarHBondContact O-N 2.81Å; Y54-V90 HydrophobicContact CD1-CB 4.42Å; Y54-V90 HydrophobicContact CD1-CG1 4.2Å; Y54-V90 HydrophobicContact CD1-CG2 3.75Å; Y54-V90 HydrophobicContact CD2-CG1 3.51Å; Y54-V90 HydrophobicContact CD2-CG2 4.33Å; Y54-V90 HydrophobicContact CE1-CG1 4.42Å; Y54-V90 HydrophobicContact CE1-CG2 4.45Å; Y54-V90 HydrophobicContact CE2-CG1 3.79Å; Y54-V90 HydrophobicContact CG-CB 4.3Å; Y54-V90 HydrophobicContact CG-CG1 3.74Å; Y54-V90 HydrophobicContact CG-CG2 3.67Å; Y54-D93 HydrophobicContact CE1-CB 4.25Å; Y54-D93 WeakPolarHBondContact CE1-OD2 3.4Å; Y54-D93 VanDerWaalsContact CZ-OD2 3.28Å; Y54-D93 VanDerWaalsContact OH-CG 3.31Å; Y54-D93 PolarHBondContact OH-OD2 3.26Å; Y54-L94 HydrophobicContact CE2-CD1 4.44Å; Y54-L94 HydrophobicContact CE2-CD2 3.79Å; Y54-L94 HydrophobicContact CE2-CG 3.94Å
55A96.5Very high93Very high60 Ų6061.2 Ų61.250%0.49633%0.325SS..THydrogen-bonded Turntrans-62.8-16.8-17500000114.2K53 V57 V59K53-A55 PolarHBondContact O-N 3.32Å; A55-V57 VanDerWaalsContact C-N 3.26Å; A55-V59 VanDerWaalsContact O-CG1 3.26Å; A55-V59 WeakPolarHBondContact O-CG1 3.28Å
56N96.6Very high92.3Very high114 Ų11465.2 Ų65.261%0.6134%0.34SS*.THydrogen-bonded Turntrans-74.8-14.3170.463-47.9000113.2Y54 H74Y54-N56 PolarHBondContact O-N 3.22Å; Y54-N56 VanDerWaalsContact O-N 3.09Å; N56-H74 VanDerWaalsContact O-CB 3.27Å; N56-H74 WeakPolarHBondContact O-CB 3.47Å
57V98.3Very high91.5Very high5 Ų563 Ų633%0.0334%0.341CS..THydrogen-bonded Turntrans-117.9-50-179.7-175.20000111.5Y54 A55 V73 H74 A86 V87 V90Y54-V57 CarbonylContact O-C 3.35Å; Y54-V57 WeakPolarHBondContact O-CA 3.19Å; Y54-V57 PolarHBondContact O-N 3.32Å; A55-V57 VanDerWaalsContact C-N 3.26Å; V57-V73 CarbonylContact O-C 3.55Å; V57-V73 WeakPolarHBondContact O-CA 3.27Å; V57-H74 PolarHBondContact O-N 3.37Å; V57-A86 HydrophobicContact CG1-CB 4.07Å; V57-A86 HydrophobicContact CG2-CB 4.05Å; V57-V87 HydrophobicContact CG1-CG2 4.2Å; V57-V90 HydrophobicContact CB-CG2 3.94Å; V57-V90 HydrophobicContact CG1-CG2 4.05Å; V57-V90 HydrophobicContact CG2-CG2 3.79Å
58F98.2Very high90.9Very high0 Ų065.8 Ų65.80%036%0.356CS..EExtended strand (participates in β ladder)trans-112125.6-179-67.4-78.8000111.3F33 L51 Y54 I71 T72 V73 V87 V90 M91 L133F33-F58 HydrophobicContact CE2-CD1 4.35Å; F33-F58 HydrophobicContact CE2-CE1 4.03Å; F33-F58 HydrophobicContact CZ-CE1 4.15Å; L51-F58 HydrophobicContact CB-CB 4.3Å; L51-F58 HydrophobicContact CB-CD2 4.3Å; L51-F58 HydrophobicContact CB-CG 4.25Å; L51-F58 HydrophobicContact CD2-CD2 3.88Å; L51-F58 HydrophobicContact CD2-CE1 4.46Å; L51-F58 HydrophobicContact CD2-CE2 3.72Å; L51-F58 HydrophobicContact CD2-CG 4.33Å; L51-F58 HydrophobicContact CD2-CZ 4.03Å; Y54-F58 PolarHBondContact O-N 2.81Å; F58-I71 HydrophobicContact CB-CG2 4.2Å; F58-I71 HydrophobicContact CD1-CG2 3.95Å; F58-T72 WeakPolarHBondContact CA-O 3.14Å; F58-V73 HydrophobicContact CE1-CG2 4.35Å; F58-V87 HydrophobicContact CZ-CG1 4.21Å; F58-V87 HydrophobicContact CZ-CG2 3.92Å; F58-V90 HydrophobicContact CD2-CG1 4.23Å; F58-V90 HydrophobicContact CE2-CB 4.14Å; F58-V90 HydrophobicContact CE2-CG1 3.78Å; F58-V90 HydrophobicContact CE2-CG2 4.31Å; F58-M91 HydrophobicContact CE2-CE 4Å; F58-M91 HydrophobicContact CZ-CE 3.76Å; F58-L133 HydrophobicContact CE1-CD1 4.43Å; F58-L133 HydrophobicContact CE1-CD2 4.04Å; F58-L133 HydrophobicContact CZ-CD1 4.33Å; F58-L133 HydrophobicContact CZ-CD2 4.22Å
59V96.7Very high90.5Very high37 Ų3772.1 Ų72.122%0.22439%0.385CS..EExtended strand (participates in β ladder)trans-128.9146.6-179.7-630000111.8A55 I71 T72 H74A55-V59 VanDerWaalsContact O-CG1 3.26Å; A55-V59 WeakPolarHBondContact O-CG1 3.28Å; V59-I71 WeakPolarHBondContact O-CA 3.2Å; V59-T72 HydrophobicContact CG2-CG2 3.46Å; V59-T72 VanDerWaalsContact CG2-CG2 3.46Å; V59-T72 PolarHBondContact N-O 3.29Å; V59-T72 PolarHBondContact O-N 3.47Å; V59-H74 HydrophobicContact CG1-CB 4.35Å
60K95.5Very high90.5Very high126 Ų12666.5 Ų66.555%0.54836%0.355SS..EExtended strand (participates in β ladder)trans-70.4139.6168.7-68.3-169.3179.8-176.30109.8L52 C70 I71L52-K60 HydrophobicContact CD1-CD 4.26Å; L52-K60 HydrophobicContact CD1-CG 4.12Å; L52-K60 HydrophobicContact CD2-CG 4.02Å; K60-C70 WeakPolarHBondContact CA-O 3.35Å; K60-I71 HydrophobicContact CB-CD1 4.45Å; K60-I71 HydrophobicContact CG-CD1 3.76Å
61T92.6Very high90.5Very high51 Ų5163.4 Ų63.431%0.31334%0.343SS..EExtended strand (participates in β ladder)trans-143.4177.4169.7-168.30000109.7L34 C70 T72L34-T61 HydrophobicContact CD1-CG2 4.35Å; T61-C70 HydrophobicContact CG2-CB 3.65Å; T61-C70 PolarHBondContact N-O 2.96Å; T61-C70 PolarHBondContact O-N 2.49Å; T61-T72 HydrophobicContact CG2-CG2 3.81Å
62S86.8Confident90.4Very high71 Ų7164.2 Ų64.250%0.49735%0.348SS..EExtended strand (participates in β ladder)trans-110.8141.4172.4-700000109.9D68S62-D68 WeakPolarHBondContact CA-O 3.16Å
63H80.5Confident90.5Very high18 Ų1862.3 Ų62.38%0.08334%0.338CS..  trans-58.6128.1175.3-168.9-90.9000109.9Q65 H66 G67 D68 C70H63-Q65 PolarHBondContact ND1-N 3.4Å; H63-Q65 PolarHBondContact O-N 2.89Å; H63-Q65 VanDerWaalsContact O-N 3.08Å; H63-H66 HydrophobicContact CB-CB 4.47Å; H63-H66 AromaticContact CE1-CD2 3.7Å; H63-H66 AromaticContact ND1-CD2 3.6Å; H63-H66 PolarHBondContact ND1-N 3.23Å; H63-H66 PolarHBondContact O-N 3.08Å; H63-G67 PolarHBondContact O-N 3.36Å; H63-D68 HydrophobicContact CB-CB 3.95Å; H63-D68 PolarHBondContact N-O 2.72Å; H63-C70 PolarHBondContact N-SG 3.22Å
64P74.5Confident90.4Very high103 Ų10359.4 Ų59.467%0.66933%0.327SS*.THydrogen-bonded Turntrans-56.5-33-173.7-2633.2000113.9
65Q77Confident90.1Very high158 Ų15865.2 Ų65.274%0.73836%0.355SS*.THydrogen-bonded Turntrans-98.3-26.4-174.5-56.6-178.510.200114.8H63H63-Q65 PolarHBondContact ND1-N 3.4Å; H63-Q65 PolarHBondContact O-N 2.89Å; H63-Q65 VanDerWaalsContact O-N 3.08Å
66H78.3Confident90Very high128 Ų12866 Ų6659%0.59336%0.361SS*.THydrogen-bonded Turntrans-125.3-13.1-167.8-62.3-53.7000113.7H63 D68H63-H66 HydrophobicContact CB-CB 4.47Å; H63-H66 AromaticContact CE1-CD2 3.7Å; H63-H66 AromaticContact ND1-CD2 3.6Å; H63-H66 PolarHBondContact ND1-N 3.23Å; H63-H66 PolarHBondContact O-N 3.08Å; H66-D68 PolarHBondContact O-N 3.33Å
67G78.2Confident89.9Confident46 Ų4661.7 Ų61.747%0.47434%0.338SS..  trans74.14.2-176.600000114.8H63H63-G67 PolarHBondContact O-N 3.36Å
68D82.7Confident89.6Confident61 Ų6167.5 Ų67.533%0.32637%0.368SS..  trans-54.7148.7179.1-58-35.1000112K32 S62 H63 H66 C70K32-D68 HydrophobicContact CD-CB 4.37Å; K32-D68 WeakPolarHBondContact CE-OD2 3.42Å; K32-D68 IonicContact NZ-OD2 3.19Å; K32-D68 PolarHBondContact NZ-OD2 2.95Å; S62-D68 WeakPolarHBondContact CA-O 3.16Å; H63-D68 HydrophobicContact CB-CB 3.95Å; H63-D68 PolarHBondContact N-O 2.72Å; H66-D68 PolarHBondContact O-N 3.33Å; D68-C70 PolarHBondContact O-N 3.2Å; D68-C70 PolarHBondContact O-SG 3.11Å
69H85.8Confident89.5Confident140 Ų14071 Ų7165%0.64839%0.386SS*.EExtended strand (participates in β ladder)trans-67.5116.4174-64.8-53.9000111Y31 K32Y31-H69 HydrophobicContact CD1-CB 3.6Å; Y31-H69 HydrophobicContact CE1-CB 3.6Å; K32-H69 PolarHBondContact N-O 3.45Å
70C95.2Very high89.5Confident1 Ų171.1 Ų71.11%0.00739%0.387CS..EExtended strand (participates in β ladder)trans-122.2154.7-175.9-61.20000111.5K32 L34 K60 T61 H63 D68K32-C70 CarbonylContact O-C 3.59Å; K32-C70 WeakPolarHBondContact O-CA 3.29Å; L34-C70 HydrophobicContact CD1-CB 3.72Å; L34-C70 HydrophobicContact CG-CB 3.94Å; K60-C70 WeakPolarHBondContact CA-O 3.35Å; T61-C70 HydrophobicContact CG2-CB 3.65Å; T61-C70 PolarHBondContact N-O 2.96Å; T61-C70 PolarHBondContact O-N 2.49Å; H63-C70 PolarHBondContact N-SG 3.22Å; D68-C70 PolarHBondContact O-N 3.2Å; D68-C70 PolarHBondContact O-SG 3.11Å
71I97Very high89.6Confident1 Ų169.4 Ų69.41%0.00538%0.384CS..EExtended strand (participates in β ladder)trans-114.6141.7164.2-58-57.7000107.6Y31 K32 F33 L34 I43 L48 L52 F58 V59 K60Y31-I71 HydrophobicContact CD1-CG1 4.46Å; Y31-I71 HydrophobicContact CG-CG1 4.46Å; K32-I71 PolarHBondContact O-N 3.22Å; F33-I71 CarbonylContact C-O 3.39Å; F33-I71 WeakPolarHBondContact CA-O 3.21Å; F33-I71 HydrophobicContact CD2-CG2 4.46Å; F33-I71 WeakPolarHBondContact CD2-O 3.18Å; L34-I71 PolarHBondContact N-O 3.45Å; I43-I71 HydrophobicContact CD1-CB 3.7Å; I43-I71 HydrophobicContact CD1-CG1 4.08Å; I43-I71 HydrophobicContact CD1-CG2 3.87Å; L48-I71 HydrophobicContact CD1-CD1 3.41Å; L48-I71 VanDerWaalsContact CD1-CD1 3.41Å; L48-I71 HydrophobicContact CD1-CG1 3.68Å; L52-I71 HydrophobicContact CD2-CD1 4.13Å; F58-I71 HydrophobicContact CB-CG2 4.2Å; F58-I71 HydrophobicContact CD1-CG2 3.95Å; V59-I71 WeakPolarHBondContact O-CA 3.2Å; K60-I71 HydrophobicContact CB-CD1 4.45Å; K60-I71 HydrophobicContact CG-CD1 3.76Å
72T96.5Very high89.9Confident16 Ų1670.9 Ų70.910%0.09839%0.39CS..EExtended strand (participates in β ladder)trans-133.6160.9173-179.90000109.9L34 F58 V59 T61L34-T72 VanDerWaalsContact O-CA 3.29Å; L34-T72 WeakPolarHBondContact O-CA 3.41Å; L34-T72 WeakPolarHBondContact O-CB 3.36Å; L34-T72 PolarHBondContact O-OG1 3.48Å; L34-T72 VanDerWaalsContact O-OG1 3.11Å; F58-T72 WeakPolarHBondContact CA-O 3.14Å; V59-T72 HydrophobicContact CG2-CG2 3.46Å; V59-T72 VanDerWaalsContact CG2-CG2 3.46Å; V59-T72 PolarHBondContact N-O 3.29Å; V59-T72 PolarHBondContact O-N 3.47Å; T61-T72 HydrophobicContact CG2-CG2 3.81Å
73V97.3Very high90.4Very high6 Ų668 Ų684%0.03637%0.368CS..EExtended strand (participates in β ladder)trans-67141.6159.8176.90000108.9F33 L35 V57 F58 Q75 I77 R83 V87F33-V73 HydrophobicContact CE2-CG2 4.18Å; F33-V73 HydrophobicContact CZ-CG2 4.03Å; L35-V73 HydrophobicContact CD2-CB 3.78Å; L35-V73 HydrophobicContact CD2-CG2 3.55Å; V57-V73 CarbonylContact O-C 3.55Å; V57-V73 WeakPolarHBondContact O-CA 3.27Å; F58-V73 HydrophobicContact CE1-CG2 4.35Å; V73-Q75 PolarHBondContact O-N 3.4Å; V73-I77 HydrophobicContact CG1-CB 4.05Å; V73-I77 HydrophobicContact CG1-CD1 3.94Å; V73-I77 HydrophobicContact CG1-CG1 4.48Å; V73-I77 HydrophobicContact CG1-CG2 4.47Å; V73-R83 HydrophobicContact CG1-CG 4.08Å; V73-V87 HydrophobicContact CG2-CG2 3.95Å
74H96Very high91.3Very high68 Ų6867.5 Ų67.532%0.31537%0.366SS..  trans-57130.6-176.3-172.6-76.4000110.4N56 V57 V59 A76 I77N56-H74 VanDerWaalsContact O-CB 3.27Å; N56-H74 WeakPolarHBondContact O-CB 3.47Å; V57-H74 PolarHBondContact O-N 3.37Å; V59-H74 HydrophobicContact CG1-CB 4.35Å; H74-A76 VanDerWaalsContact ND1-CB 3.33Å; H74-A76 WeakPolarHBondContact ND1-CB 3.32Å; H74-A76 PolarHBondContact ND1-N 2.94Å; H74-A76 VanDerWaalsContact ND1-N 3.2Å; H74-A76 PolarHBondContact O-N 3.47Å; H74-I77 HydrophobicContact CB-CD1 4.29Å; H74-I77 HydrophobicContact CB-CG1 4.44Å; H74-I77 WeakPolarHBondContact O-CB 3.27Å; H74-I77 PolarHBondContact O-N 3.46Å
75Q91.2Very high92.4Very high160 Ų16066.8 Ų66.875%0.74836%0.357SS*.THydrogen-bonded Turntrans-62.5-20.2-169.5-66.7175.9-22.900114.6V73 I77V73-Q75 PolarHBondContact O-N 3.4Å; Q75-I77 PolarHBondContact O-N 3Å
76A94.6Very high93.4Very high75 Ų7560 Ų6062%0.6233%0.328SS*.THydrogen-bonded Turntrans-67.5-15171.900000113.6H74H74-A76 VanDerWaalsContact ND1-CB 3.33Å; H74-A76 WeakPolarHBondContact ND1-CB 3.32Å; H74-A76 PolarHBondContact ND1-N 2.94Å; H74-A76 VanDerWaalsContact ND1-N 3.2Å; H74-A76 PolarHBondContact O-N 3.47Å
77I96.3Very high94.4Very high24 Ų2454 Ų5412%0.12330%0.3CS..  trans-98.690.4-179.7-47.2176.7000108.5V73 H74 Q75 D82 R83 A86V73-I77 HydrophobicContact CG1-CB 4.05Å; V73-I77 HydrophobicContact CG1-CD1 3.94Å; V73-I77 HydrophobicContact CG1-CG1 4.48Å; V73-I77 HydrophobicContact CG1-CG2 4.47Å; H74-I77 HydrophobicContact CB-CD1 4.29Å; H74-I77 HydrophobicContact CB-CG1 4.44Å; H74-I77 WeakPolarHBondContact O-CB 3.27Å; H74-I77 PolarHBondContact O-N 3.46Å; Q75-I77 PolarHBondContact O-N 3Å; I77-D82 HydrophobicContact CG2-CB 3.65Å; I77-R83 HydrophobicContact CB-CG 4.28Å; I77-R83 HydrophobicContact CG2-CB 4.23Å; I77-R83 HydrophobicContact CG2-CG 3.67Å; I77-R83 VanDerWaalsContact CG2-N 3.3Å; I77-R83 WeakPolarHBondContact O-CG 2.98Å; I77-R83 PolarHBondContact O-NE 2.85Å; I77-A86 HydrophobicContact CD1-CB 3.8Å
78I91.3Very high95.3Very high128 Ų12853.7 Ų53.766%0.65629%0.294SS*.  trans-86.9-50.2-161.8-59.4170.9000112.2R83I78-R83 VanDerWaalsContact O-CZ 3.25Å; I78-R83 PolarHBondContact O-NE 2.73Å; I78-R83 PolarHBondContact O-NH2 2.84Å
79N95.6Very high96.1Very high73 Ų7357.9 Ų57.939%0.3931%0.311SS..SBendtrans-92.7158.5-171.47071.8000112.5N81 D82 R83N79-N81 VanDerWaalsContact C-N 3.26Å; N79-N81 PolarHBondContact O-N 2.94Å; N79-N81 WeakPolarHBondContact OD1-CB 3.36Å; N79-N81 PolarHBondContact OD1-N 3.38Å; N79-N81 VanDerWaalsContact OD1-N 3.08Å; N79-D82 VanDerWaalsContact ND2-CG 3.35Å; N79-D82 PolarHBondContact ND2-OD2 2.78Å; N79-D82 PolarHBondContact O-N 3.17Å; N79-D82 PolarHBondContact OD1-N 3.07Å; N79-R83 WeakPolarHBondContact O-CG 2.99Å; N79-R83 PolarHBondContact O-N 3.31Å
80V97.3Very high96.7Very high40 Ų4051.4 Ų51.424%0.24228%0.281CS..Hα-helixtrans-53.1-41.7-177.8-179.40000112.3S84 V121V80-S84 VanDerWaalsContact O-CB 3.29Å; V80-S84 WeakPolarHBondContact O-CB 3.23Å; V80-S84 PolarHBondContact O-N 2.77Å; V80-S84 PolarHBondContact O-OG 3.45Å; V80-V121 HydrophobicContact CG1-CG1 4.23Å; V80-V121 HydrophobicContact CG1-CG2 4.26Å; V80-V121 WeakPolarHBondContact CG2-O 3.49Å
81N98Very high96.8Very high90 Ų9051.4 Ų51.448%0.48128%0.281SS..Hα-helixtrans-67.5-46.5-177.4-73.3-33.1000111.8N79 R83 S84 N85 R124N79-N81 VanDerWaalsContact C-N 3.26Å; N79-N81 PolarHBondContact O-N 2.94Å; N79-N81 WeakPolarHBondContact OD1-CB 3.36Å; N79-N81 PolarHBondContact OD1-N 3.38Å; N79-N81 VanDerWaalsContact OD1-N 3.08Å; N81-R83 VanDerWaalsContact C-N 3.34Å; N81-R83 PolarHBondContact O-N 3.07Å; N81-S84 PolarHBondContact O-N 2.51Å; N81-N85 WeakPolarHBondContact O-CB 3.4Å; N81-N85 PolarHBondContact O-N 3.18Å; N81-N85 PolarHBondContact O-ND2 3.19Å; N81-R124 PolarHBondContact OD1-NH2 3.46Å
82D98Very high96.9Very high81 Ų8155.3 Ų55.343%0.43330%0.299SS..Hα-helixtrans-65.9-39179.2-65.8-19.2000111.2I77 N79 N85 A86I77-D82 HydrophobicContact CG2-CB 3.65Å; N79-D82 VanDerWaalsContact ND2-CG 3.35Å; N79-D82 PolarHBondContact ND2-OD2 2.78Å; N79-D82 PolarHBondContact O-N 3.17Å; N79-D82 PolarHBondContact OD1-N 3.07Å; D82-N85 PolarHBondContact O-N 3.36Å; D82-A86 VanDerWaalsContact O-CB 3.25Å; D82-A86 WeakPolarHBondContact O-CB 3.13Å; D82-A86 PolarHBondContact O-N 3.35Å
83R98Very high96.9Very high12 Ų1258 Ų585%0.04531%0.313CS..Hα-helixtrans-61.2-47.2172.9-66.9-179.9-170.8169.52.8111.3D36 V73 I77 I78 N79 N81 N85 A86 V87 L122 L123D36-R83 IonicContact OD1-CZ 2.81Å; D36-R83 IonicContact OD1-NH1 3.08Å; D36-R83 IonicContact OD1-NH2 2.7Å; D36-R83 PolarHBondContact OD1-NH2 3.03Å; D36-R83 IonicContact OD2-CZ 3.61Å; D36-R83 IonicContact OD2-NH1 3.71Å; D36-R83 PolarHBondContact OD2-NH1 2.95Å; D36-R83 IonicContact OD2-NH2 3.17Å; D36-R83 PolarHBondContact OD2-NH2 3.11Å; V73-R83 HydrophobicContact CG1-CG 4.08Å; I77-R83 HydrophobicContact CB-CG 4.28Å; I77-R83 HydrophobicContact CG2-CB 4.23Å; I77-R83 HydrophobicContact CG2-CG 3.67Å; I77-R83 VanDerWaalsContact CG2-N 3.3Å; I77-R83 WeakPolarHBondContact O-CG 2.98Å; I77-R83 PolarHBondContact O-NE 2.85Å; I78-R83 VanDerWaalsContact O-CZ 3.25Å; I78-R83 PolarHBondContact O-NE 2.73Å; I78-R83 PolarHBondContact O-NH2 2.84Å; N79-R83 WeakPolarHBondContact O-CG 2.99Å; N79-R83 PolarHBondContact O-N 3.31Å; N81-R83 VanDerWaalsContact C-N 3.34Å; N81-R83 PolarHBondContact O-N 3.07Å; R83-N85 PolarHBondContact O-N 3.44Å; R83-A86 PolarHBondContact O-N 2.84Å; R83-V87 WeakPolarHBondContact O-CB 3.38Å; R83-V87 VanDerWaalsContact O-CG2 3.28Å; R83-V87 WeakPolarHBondContact O-CG2 3.34Å; R83-V87 PolarHBondContact O-N 2.77Å; R83-L122 WeakPolarHBondContact CD-O 3.26Å; R83-L122 PolarHBondContact NH1-O 3.11Å; R83-L123 HydrophobicContact CB-CD1 3.76Å; R83-L123 WeakPolarHBondContact O-CD1 3.48Å
84S98.3Very high97Very high6 Ų657.7 Ų57.74%0.04231%0.312CS..Hα-helixtrans-60.5-46.8-179.6-550000111V80 N81 A88 L123 R124V80-S84 VanDerWaalsContact O-CB 3.29Å; V80-S84 WeakPolarHBondContact O-CB 3.23Å; V80-S84 PolarHBondContact O-N 2.77Å; V80-S84 PolarHBondContact O-OG 3.45Å; N81-S84 PolarHBondContact O-N 2.51Å; S84-A88 WeakPolarHBondContact O-CB 2.95Å; S84-A88 PolarHBondContact O-N 2.87Å; S84-L123 VanDerWaalsContact CA-CD1 3.48Å; S84-R124 WeakPolarHBondContact OG-CB 3.32Å; S84-R124 PolarHBondContact OG-N 3.44Å
85N98.3Very high97Very high89 Ų8958.5 Ų58.548%0.47631%0.312SS..Hα-helixtrans-63.8-48.7178.7-68-20.2000111.6N81 D82 R83 V87 A88 E89N81-N85 WeakPolarHBondContact O-CB 3.4Å; N81-N85 PolarHBondContact O-N 3.18Å; N81-N85 PolarHBondContact O-ND2 3.19Å; D82-N85 PolarHBondContact O-N 3.36Å; R83-N85 PolarHBondContact O-N 3.44Å; N85-V87 PolarHBondContact O-N 3.27Å; N85-A88 PolarHBondContact O-N 2.83Å; N85-E89 WeakPolarHBondContact O-CG 3.46Å; N85-E89 PolarHBondContact O-N 3.3Å
86A98.4Very high97.3Very high16 Ų1654.7 Ų54.713%0.13231%0.308CS..Hα-helixtrans-62.1-43.518000000112.1V57 I77 D82 R83 V90V57-A86 HydrophobicContact CG1-CB 4.07Å; V57-A86 HydrophobicContact CG2-CB 4.05Å; I77-A86 HydrophobicContact CD1-CB 3.8Å; D82-A86 VanDerWaalsContact O-CB 3.25Å; D82-A86 WeakPolarHBondContact O-CB 3.13Å; D82-A86 PolarHBondContact O-N 3.35Å; R83-A86 PolarHBondContact O-N 2.84Å; A86-V90 WeakPolarHBondContact O-CG2 3.22Å; A86-V90 PolarHBondContact O-N 2.59Å
87V98.4Very high97.3Very high0 Ų054.8 Ų54.80%030%0.3CS..Hα-helixtrans-66.7-42.5175.8172.80000110.6V57 F58 V73 R83 N85 E89 V90 M91 L123 I125 L133V57-V87 HydrophobicContact CG1-CG2 4.2Å; F58-V87 HydrophobicContact CZ-CG1 4.21Å; F58-V87 HydrophobicContact CZ-CG2 3.92Å; V73-V87 HydrophobicContact CG2-CG2 3.95Å; R83-V87 WeakPolarHBondContact O-CB 3.38Å; R83-V87 VanDerWaalsContact O-CG2 3.28Å; R83-V87 WeakPolarHBondContact O-CG2 3.34Å; R83-V87 PolarHBondContact O-N 2.77Å; N85-V87 PolarHBondContact O-N 3.27Å; V87-E89 PolarHBondContact O-N 2.88Å; V87-V90 PolarHBondContact O-N 2.74Å; V87-M91 HydrophobicContact CG1-CE 3.89Å; V87-M91 HydrophobicContact CG1-CG 4.09Å; V87-M91 VanDerWaalsContact O-CG 3.26Å; V87-M91 WeakPolarHBondContact O-CG 3.48Å; V87-M91 PolarHBondContact O-N 3.19Å; V87-L123 HydrophobicContact CB-CD1 4.03Å; V87-L123 HydrophobicContact CG1-CD2 4.48Å; V87-L123 HydrophobicContact CG2-CD1 3.87Å; V87-L123 HydrophobicContact CG2-CD2 4.05Å; V87-I125 HydrophobicContact CG1-CG2 3.96Å; V87-L133 HydrophobicContact CG1-CD1 4.26Å
88A98.3Very high97.3Very high41 Ų4154.1 Ų54.134%0.33930%0.298SS..Hα-helixtrans-60.7-41.4178.100000112.6S84 N85 M91 Q92S84-A88 WeakPolarHBondContact O-CB 2.95Å; S84-A88 PolarHBondContact O-N 2.87Å; N85-A88 PolarHBondContact O-N 2.83Å; A88-M91 PolarHBondContact O-N 3.39Å; A88-Q92 WeakPolarHBondContact O-CG 3.18Å; A88-Q92 PolarHBondContact O-N 3.36Å
89E98.2Very high97.4Very high149 Ų14952.4 Ų52.470%0.69630%0.295SS*.Hα-helixtrans-59.8-47174.3-75179.1-169.700111.6N85 V87 M91 Q92 D93N85-E89 WeakPolarHBondContact O-CG 3.46Å; N85-E89 PolarHBondContact O-N 3.3Å; V87-E89 PolarHBondContact O-N 2.88Å; E89-M91 PolarHBondContact O-N 3.27Å; E89-Q92 PolarHBondContact O-N 2.84Å; E89-D93 PolarHBondContact O-N 3.11Å
90V98.4Very high97.4Very high4 Ų449.6 Ų49.62%0.02428%0.279CS..Hα-helixtrans-61.1-44.3175.8174.50000111.1Y54 V57 F58 A86 V87 Q92 D93 L94Y54-V90 HydrophobicContact CD1-CB 4.42Å; Y54-V90 HydrophobicContact CD1-CG1 4.2Å; Y54-V90 HydrophobicContact CD1-CG2 3.75Å; Y54-V90 HydrophobicContact CD2-CG1 3.51Å; Y54-V90 HydrophobicContact CD2-CG2 4.33Å; Y54-V90 HydrophobicContact CE1-CG1 4.42Å; Y54-V90 HydrophobicContact CE1-CG2 4.45Å; Y54-V90 HydrophobicContact CE2-CG1 3.79Å; Y54-V90 HydrophobicContact CG-CB 4.3Å; Y54-V90 HydrophobicContact CG-CG1 3.74Å; Y54-V90 HydrophobicContact CG-CG2 3.67Å; V57-V90 HydrophobicContact CB-CG2 3.94Å; V57-V90 HydrophobicContact CG1-CG2 4.05Å; V57-V90 HydrophobicContact CG2-CG2 3.79Å; F58-V90 HydrophobicContact CD2-CG1 4.23Å; F58-V90 HydrophobicContact CE2-CB 4.14Å; F58-V90 HydrophobicContact CE2-CG1 3.78Å; F58-V90 HydrophobicContact CE2-CG2 4.31Å; A86-V90 WeakPolarHBondContact O-CG2 3.22Å; A86-V90 PolarHBondContact O-N 2.59Å; V87-V90 PolarHBondContact O-N 2.74Å; V90-Q92 VanDerWaalsContact C-N 3.33Å; V90-Q92 PolarHBondContact O-N 3.04Å; V90-D93 PolarHBondContact O-N 2.7Å; V90-L94 HydrophobicContact CG1-CD1 3.82Å; V90-L94 HydrophobicContact CG1-CG 4.19Å; V90-L94 WeakPolarHBondContact O-CB 3.19Å; V90-L94 WeakPolarHBondContact O-CG 3.39Å; V90-L94 PolarHBondContact O-N 2.88Å
91M98.3Very high97Very high1 Ų154 Ų541%0.00530%0.296CS..Hα-helixtrans-66-34.9-179.8-64.9-5314400112.3L51 F58 V87 A88 E89 L94 R95 L103 W106 A129 L132 L133L51-M91 HydrophobicContact CD2-CE 4.01Å; F58-M91 HydrophobicContact CE2-CE 4Å; F58-M91 HydrophobicContact CZ-CE 3.76Å; V87-M91 HydrophobicContact CG1-CE 3.89Å; V87-M91 HydrophobicContact CG1-CG 4.09Å; V87-M91 VanDerWaalsContact O-CG 3.26Å; V87-M91 WeakPolarHBondContact O-CG 3.48Å; V87-M91 PolarHBondContact O-N 3.19Å; A88-M91 PolarHBondContact O-N 3.39Å; E89-M91 PolarHBondContact O-N 3.27Å; M91-L94 HydrophobicContact SD-CD1 4.38Å; M91-R95 VanDerWaalsContact O-CB 3.23Å; M91-R95 WeakPolarHBondContact O-CB 3.17Å; M91-R95 PolarHBondContact O-N 2.96Å; M91-L103 HydrophobicContact CB-CD2 4.41Å; M91-L103 HydrophobicContact SD-CD2 4.25Å; M91-W106 HydrophobicContact CB-CH2 4.29Å; M91-W106 HydrophobicContact CB-CZ3 4.14Å; M91-A129 HydrophobicContact CB-CB 4.35Å; M91-A129 HydrophobicContact CG-CB 3.71Å; M91-A129 HydrophobicContact SD-CB 3.78Å; M91-L132 HydrophobicContact CE-CD2 4.1Å; M91-L132 HydrophobicContact SD-CD2 4.05Å; M91-L133 HydrophobicContact CE-CD1 4.01Å; M91-L133 HydrophobicContact CE-CD2 4.24Å; M91-L133 HydrophobicContact CE-CG 4.23Å
92Q97.8Very high96.8Very high82 Ų8250.1 Ų50.138%0.38328%0.276SS..Hα-helixtrans-68.9-41.4175.2-73.1-76.840.300112.2A88 E89 V90 R95 A96 W106A88-Q92 WeakPolarHBondContact O-CG 3.18Å; A88-Q92 PolarHBondContact O-N 3.36Å; E89-Q92 PolarHBondContact O-N 2.84Å; V90-Q92 VanDerWaalsContact C-N 3.33Å; V90-Q92 PolarHBondContact O-N 3.04Å; Q92-R95 WeakPolarHBondContact O-CB 3.13Å; Q92-R95 PolarHBondContact O-N 3.16Å; Q92-A96 PolarHBondContact O-N 2.84Å; Q92-W106 HydrophobicContact CG-CH2 3.8Å; Q92-W106 HydrophobicContact CG-CZ2 3.94Å; Q92-W106 VanDerWaalsContact NE2-CZ2 3.32Å
93D98.1Very high96.7Very high73 Ų7346.2 Ų46.239%0.3926%0.255SS..Hα-helixtrans-66.8-44.1175.8-170.539.3000111.3Y54 E89 V90 R95 A96 T97Y54-D93 HydrophobicContact CE1-CB 4.25Å; Y54-D93 WeakPolarHBondContact CE1-OD2 3.4Å; Y54-D93 VanDerWaalsContact CZ-OD2 3.28Å; Y54-D93 VanDerWaalsContact OH-CG 3.31Å; Y54-D93 PolarHBondContact OH-OD2 3.26Å; E89-D93 PolarHBondContact O-N 3.11Å; V90-D93 PolarHBondContact O-N 2.7Å; D93-R95 VanDerWaalsContact C-N 3.29Å; D93-R95 PolarHBondContact O-N 2.92Å; D93-A96 PolarHBondContact O-N 3.44Å; D93-A96 VanDerWaalsContact O-N 3.08Å; D93-T97 WeakPolarHBondContact O-CB 3.15Å; D93-T97 WeakPolarHBondContact O-CG2 3.14Å; D93-T97 PolarHBondContact O-N 3.01Å; D93-T97 PolarHBondContact O-OG1 3.32Å; D93-T97 WeakPolarHBondContact OD1-CG2 2.99Å
94L97.9Very high96.4Very high0 Ų051.5 Ų51.50%028%0.278CS..Hα-helixtrans-61.3-37.2173.2-72.8177.9000112W50 L51 Y54 V90 M91 A96 T97 S98 F100 L103W50-L94 HydrophobicContact CB-CD2 3.96Å; W50-L94 HydrophobicContact CD2-CD2 4.5Å; W50-L94 HydrophobicContact CE3-CD2 3.85Å; L51-L94 HydrophobicContact CD2-CD1 4.06Å; Y54-L94 HydrophobicContact CE2-CD1 4.44Å; Y54-L94 HydrophobicContact CE2-CD2 3.79Å; Y54-L94 HydrophobicContact CE2-CG 3.94Å; V90-L94 HydrophobicContact CG1-CD1 3.82Å; V90-L94 HydrophobicContact CG1-CG 4.19Å; V90-L94 WeakPolarHBondContact O-CB 3.19Å; V90-L94 WeakPolarHBondContact O-CG 3.39Å; V90-L94 PolarHBondContact O-N 2.88Å; M91-L94 HydrophobicContact SD-CD1 4.38Å; L94-A96 PolarHBondContact O-N 2.95Å; L94-T97 PolarHBondContact O-N 3.18Å; L94-S98 WeakPolarHBondContact O-CA 3.31Å; L94-S98 WeakPolarHBondContact O-CB 3.38Å; L94-S98 PolarHBondContact O-N 3.01Å; L94-S98 PolarHBondContact O-OG 3.06Å; L94-F100 HydrophobicContact CD1-CE2 4.39Å; L94-F100 HydrophobicContact CD2-CE2 4.24Å; L94-L103 HydrophobicContact CB-CD1 3.56Å
95R97Very high96Very high85 Ų8552.1 Ų52.132%0.32129%0.285SS..Hα-helixtrans-58.4-37.4175174.7179.3175-158.82.9111.5M91 Q92 D93 L103 K104 W106M91-R95 VanDerWaalsContact O-CB 3.23Å; M91-R95 WeakPolarHBondContact O-CB 3.17Å; M91-R95 PolarHBondContact O-N 2.96Å; Q92-R95 WeakPolarHBondContact O-CB 3.13Å; Q92-R95 PolarHBondContact O-N 3.16Å; D93-R95 VanDerWaalsContact C-N 3.29Å; D93-R95 PolarHBondContact O-N 2.92Å; R95-L103 HydrophobicContact CB-CB 3.96Å; R95-L103 HydrophobicContact CB-CD1 4.4Å; R95-L103 WeakPolarHBondContact CD-O 3.42Å; R95-L103 HydrophobicContact CG-CB 4.29Å; R95-L103 WeakPolarHBondContact CG-O 3.37Å; R95-K104 PolarHBondContact O-NZ 3.42Å; R95-W106 VanDerWaalsContact CZ-CB 3.41Å
96A96.4Very high95.8Very high80 Ų8049.6 Ų49.666%0.66127%0.269SS*.Hα-helixtrans-80.2-38.517900000113Q92 D93 L94Q92-A96 PolarHBondContact O-N 2.84Å; D93-A96 PolarHBondContact O-N 3.44Å; D93-A96 VanDerWaalsContact O-N 3.08Å; L94-A96 PolarHBondContact O-N 2.95Å
97T96.2Very high95.5Very high76 Ų7651.8 Ų51.847%0.46627%0.274SS..Hα-helixtrans-107.5-20.5-164.7620000115.2D93 L94D93-T97 WeakPolarHBondContact O-CB 3.15Å; D93-T97 WeakPolarHBondContact O-CG2 3.14Å; D93-T97 PolarHBondContact O-N 3.01Å; D93-T97 PolarHBondContact O-OG1 3.32Å; D93-T97 WeakPolarHBondContact OD1-CG2 2.99Å; L94-T97 PolarHBondContact O-N 3.18Å
98S95.4Very high95.3Very high10 Ų1058.2 Ų58.27%0.0731%0.309CS..SBendtrans-96.2161.6-17581.70000112.9L94 F100L94-S98 WeakPolarHBondContact O-CA 3.31Å; L94-S98 WeakPolarHBondContact O-CB 3.38Å; L94-S98 PolarHBondContact O-N 3.01Å; L94-S98 PolarHBondContact O-OG 3.06Å; S98-F100 PolarHBondContact O-N 3.02Å; S98-F100 WeakPolarHBondContact OG-CB 3.41Å; S98-F100 WeakPolarHBondContact OG-CD2 3.4Å; S98-F100 VanDerWaalsContact OG-CG 3.27Å; S98-F100 WeakPolarHBondContact OG-CG 3.43Å; S98-F100 PolarHBondContact OG-N 2.95Å
99P93.9Very high95.1Very high93 Ų9359.3 Ų59.360%0.60431%0.307SS*.  trans-79.98.3172.734.3-36.3000113.6W50 K101W50-P99 VanDerWaalsContact CZ2-CD 3.47Å; W50-P99 HydrophobicContact CZ2-CG 4.27Å; P99-K101 PolarHBondContact O-N 3.13Å; P99-K101 VanDerWaalsContact O-N 3.14Å
100F94.4Very high95.1Very high13 Ų1355.1 Ų55.16%0.05729%0.289CS..  trans-72.6111-170.1-54.7-33.9000112.3F47 W50 L94 S98 A102 L103 L132F47-F100 HydrophobicContact CB-CZ 4.43Å; F47-F100 AromaticContact CD1-CD1 3.65Å; F47-F100 HydrophobicContact CD1-CD1 3.65Å; F47-F100 HydrophobicContact CD1-CD2 4.24Å; F47-F100 AromaticContact CD1-CE1 3.38Å; F47-F100 HydrophobicContact CD1-CE1 3.38Å; F47-F100 AromaticContact CD1-CE2 3.99Å; F47-F100 HydrophobicContact CD1-CE2 3.99Å; F47-F100 HydrophobicContact CD1-CG 4.09Å; F47-F100 AromaticContact CD1-CZ 3.55Å; F47-F100 HydrophobicContact CD1-CZ 3.55Å; F47-F100 AromaticContact CE1-CD1 3.59Å; F47-F100 HydrophobicContact CE1-CD1 3.59Å; F47-F100 AromaticContact CE1-CE1 3.77Å; F47-F100 HydrophobicContact CE1-CE1 3.77Å; F47-F100 HydrophobicContact CE1-CG 4.06Å; F47-F100 HydrophobicContact CE1-CZ 4.34Å; F47-F100 HydrophobicContact CG-CZ 4.47Å; W50-F100 HydrophobicContact CB-CE2 3.77Å; W50-F100 HydrophobicContact CB-CZ 3.62Å; W50-F100 AromaticContact CD1-CE1 3.97Å; W50-F100 AromaticContact CD1-CZ 3.33Å; W50-F100 HydrophobicContact CD2-CE2 4.36Å; W50-F100 AromaticContact CD2-CZ 4Å; W50-F100 HydrophobicContact CD2-CZ 4Å; W50-F100 HydrophobicContact CG-CE1 4.33Å; W50-F100 AromaticContact CG-CE2 3.87Å; W50-F100 HydrophobicContact CG-CE2 3.87Å; W50-F100 AromaticContact CG-CZ 3.35Å; W50-F100 HydrophobicContact CG-CZ 3.35Å; W50-F100 AromaticContact NE1-CZ 3.89Å; L94-F100 HydrophobicContact CD1-CE2 4.39Å; L94-F100 HydrophobicContact CD2-CE2 4.24Å; S98-F100 PolarHBondContact O-N 3.02Å; S98-F100 WeakPolarHBondContact OG-CB 3.41Å; S98-F100 WeakPolarHBondContact OG-CD2 3.4Å; S98-F100 VanDerWaalsContact OG-CG 3.27Å; S98-F100 WeakPolarHBondContact OG-CG 3.43Å; S98-F100 PolarHBondContact OG-N 2.95Å; F100-A102 PolarHBondContact O-N 3.09Å; F100-L103 HydrophobicContact CB-CD1 4.38Å; F100-L103 HydrophobicContact CB-CG 4.44Å; F100-L103 HydrophobicContact CD2-CD1 4.21Å; F100-L103 PolarHBondContact O-N 3.3Å; F100-L132 HydrophobicContact CB-CD1 4.15Å; F100-L132 HydrophobicContact CD2-CD1 3.29Å; F100-L132 HydrophobicContact CE2-CD1 3.71Å; F100-L132 HydrophobicContact CG-CD1 3.75Å; F100-L132 HydrophobicContact CZ-CD1 4.47Å
101K90.4Very high95.1Very high134 Ų13455.5 Ų55.558%0.58329%0.29SS*.SBendtrans-60.9-33.2176.1-67.5-172.7-172.7173.50112.6P99 L103 K104 E248P99-K101 PolarHBondContact O-N 3.13Å; P99-K101 VanDerWaalsContact O-N 3.14Å; K101-L103 VanDerWaalsContact C-N 3.3Å; K101-L103 PolarHBondContact O-N 2.62Å; K101-K104 WeakPolarHBondContact O-CB 3.26Å; K101-K104 PolarHBondContact O-N 2.85Å; K101-K104 VanDerWaalsContact O-N 3.08Å; K101-E248 HydrophobicContact CD-CG 3.98Å; K101-E248 IonicContact NZ-OE1 3.87Å
102A92.6Very high95Very high7 Ų755.6 Ų55.66%0.05829%0.291CS..G310 helixtrans-49-52.8178.800000111.1F100 K104 G105 S128 R249F100-A102 PolarHBondContact O-N 3.09Å; A102-K104 PolarHBondContact O-N 2.69Å; A102-K104 VanDerWaalsContact O-N 3.15Å; A102-G105 PolarHBondContact O-N 3.43Å; A102-S128 CarbonylContact C-O 3.59Å; A102-S128 WeakPolarHBondContact CB-O 3.42Å; A102-S128 VanDerWaalsContact O-CB 3.29Å; A102-S128 WeakPolarHBondContact O-CB 3.39Å; A102-R249 HydrophobicContact CB-CB 3.81Å; A102-R249 HydrophobicContact CB-CG 4.35Å
103L96Very high95Very high0 Ų051.7 Ų51.70%027%0.273CS..G310 helixtrans-71.2-8.3-175.8-60.4177.5000114.7M91 L94 R95 F100 K101 G105 A129M91-L103 HydrophobicContact CB-CD2 4.41Å; M91-L103 HydrophobicContact SD-CD2 4.25Å; L94-L103 HydrophobicContact CB-CD1 3.56Å; R95-L103 HydrophobicContact CB-CB 3.96Å; R95-L103 HydrophobicContact CB-CD1 4.4Å; R95-L103 WeakPolarHBondContact CD-O 3.42Å; R95-L103 HydrophobicContact CG-CB 4.29Å; R95-L103 WeakPolarHBondContact CG-O 3.37Å; F100-L103 HydrophobicContact CB-CD1 4.38Å; F100-L103 HydrophobicContact CB-CG 4.44Å; F100-L103 HydrophobicContact CD2-CD1 4.21Å; F100-L103 PolarHBondContact O-N 3.3Å; K101-L103 VanDerWaalsContact C-N 3.3Å; K101-L103 PolarHBondContact O-N 2.62Å; L103-G105 VanDerWaalsContact C-N 3.32Å; L103-A129 HydrophobicContact CD2-CB 3.72Å
104K91.8Very high94.9Very high122 Ų12249.7 Ų49.753%0.5326%0.26SS..G310 helixtrans-76.2-23.9174.7-56.9-56.3-179.5-173.40111.9R95 K101 A102 W106R95-K104 PolarHBondContact O-NZ 3.42Å; K101-K104 WeakPolarHBondContact O-CB 3.26Å; K101-K104 PolarHBondContact O-N 2.85Å; K101-K104 VanDerWaalsContact O-N 3.08Å; A102-K104 PolarHBondContact O-N 2.69Å; A102-K104 VanDerWaalsContact O-N 3.15Å; K104-W106 PolarHBondContact O-N 3.49Å; K104-W106 VanDerWaalsContact O-N 3.16Å
105G89.3Confident94.8Very high19 Ų1949.8 Ų49.820%0.19626%0.261CS..SBendtrans-8439.4175.900000114.2A102 L103 R107 S128A102-G105 PolarHBondContact O-N 3.43Å; L103-G105 VanDerWaalsContact C-N 3.32Å; G105-R107 PolarHBondContact O-NH1 3.45Å; G105-S128 WeakPolarHBondContact O-CB 3.39Å
106W94.1Very high94.6Very high37 Ų3749.6 Ų49.614%0.1426%0.263CS..  trans-65.7132.2-177.4-165.2-86.9000111.8M91 Q92 R95 K104 N108 E126M91-W106 HydrophobicContact CB-CH2 4.29Å; M91-W106 HydrophobicContact CB-CZ3 4.14Å; Q92-W106 HydrophobicContact CG-CH2 3.8Å; Q92-W106 HydrophobicContact CG-CZ2 3.94Å; Q92-W106 VanDerWaalsContact NE2-CZ2 3.32Å; R95-W106 VanDerWaalsContact CZ-CB 3.41Å; K104-W106 PolarHBondContact O-N 3.49Å; K104-W106 VanDerWaalsContact O-N 3.16Å; W106-N108 VanDerWaalsContact CD1-OD1 3.31Å; W106-N108 PolarHBondContact NE1-OD1 2.65Å; W106-E126 HydrophobicContact CD2-CG 3.82Å; W106-E126 HydrophobicContact CE3-CB 4.34Å; W106-E126 HydrophobicContact CE3-CG 3.95Å; W106-E126 HydrophobicContact CH2-CB 3.6Å; W106-E126 HydrophobicContact CH2-CG 3.76Å; W106-E126 HydrophobicContact CZ2-CB 3.92Å; W106-E126 HydrophobicContact CZ2-CG 3.61Å; W106-E126 HydrophobicContact CZ3-CB 3.84Å; W106-E126 HydrophobicContact CZ3-CG 3.92Å
107R92.8Very high94.2Very high62 Ų6251.6 Ų51.623%0.23426%0.263CS..  trans-122-11.4-173.8-73.7168.2173.790.9-9.7114.6G105 E109 E126G105-R107 PolarHBondContact O-NH1 3.45Å; R107-E109 HydrophobicContact CB-CB 4.18Å; R107-E109 HydrophobicContact CB-CG 4.08Å; R107-E126 PolarHBondContact N-OE1 2.84Å
108N95.3Very high94.1Very high135 Ų13550.2 Ų50.272%0.72225%0.249SC*.SBendtrans58.737.4-168.5-48-66.8000111.7W106W106-N108 VanDerWaalsContact CD1-OD1 3.31Å; W106-N108 PolarHBondContact NE1-OD1 2.65Å
109E93.9Very high94Very high64 Ų6457.8 Ų57.830%0.29928%0.283SS..  trans-121.2120.9175.9-72.6170.9-172.500108.2R107 R127 T208R107-E109 HydrophobicContact CB-CB 4.18Å; R107-E109 HydrophobicContact CB-CG 4.08Å; E109-R127 HydrophobicContact CB-CB 4.31Å; E109-R127 WeakPolarHBondContact O-CB 3.39Å; E109-R127 PolarHBondContact O-N 2.85Å; E109-R127 WeakPolarHBondContact OE2-CD 3.35Å; E109-R127 IonicContact OE2-CZ 3.81Å; E109-R127 IonicContact OE2-NE 3.97Å; E109-R127 IonicContact OE2-NH1 3.76Å; E109-R127 PolarHBondContact OE2-NH1 2.76Å; E109-T208 HydrophobicContact CB-CG2 4.03Å; E109-T208 HydrophobicContact CG-CG2 4.2Å
110D97.3Very high94Very high61 Ų6157.8 Ų57.833%0.32628%0.275SS..EExtended strand (participates in β ladder)trans-85.2136.8175.5-72.9-17.7000110.3R124 I125 Y209D110-R124 HydrophobicContact CB-CB 4.25Å; D110-R124 IonicContact OD2-NH1 2.7Å; D110-I125 CarbonylContact C-O 3.55Å; D110-I125 WeakPolarHBondContact CA-O 3.29Å; D110-Y209 WeakPolarHBondContact O-CB 3.42Å; D110-Y209 PolarHBondContact O-N 3.18Å
111Y97.6Very high94.2Very high12 Ų1258.5 Ų58.55%0.04728%0.281CS..EExtended strand (participates in β ladder)trans-97.8145.2160.8-77.16.7000109.1R124 I125 R127 R137 G206 T208Y111-R124 WeakPolarHBondContact O-CA 3.19Å; Y111-I125 PolarHBondContact N-O 2.99Å; Y111-I125 PolarHBondContact O-N 2.77Å; Y111-R127 HydrophobicContact CD1-CB 4.1Å; Y111-R127 HydrophobicContact CD1-CG 4.28Å; Y111-R127 HydrophobicContact CD2-CG 4.48Å; Y111-R127 HydrophobicContact CE1-CB 4.02Å; Y111-R127 HydrophobicContact CE1-CG 3.73Å; Y111-R127 HydrophobicContact CE2-CG 3.96Å; Y111-R127 HydrophobicContact CG-CB 4.45Å; Y111-R127 WeakPolarHBondContact OH-CD 3.26Å; Y111-R127 PolarHBondContact OH-NE 3.15Å; Y111-R137 HydrophobicContact CD2-CB 4.32Å; Y111-R137 HydrophobicContact CD2-CG 3.99Å; Y111-R137 HydrophobicContact CE2-CB 3.86Å; Y111-R137 HydrophobicContact CE2-CG 3.73Å; Y111-G206 WeakPolarHBondContact OH-CA 3.18Å; Y111-T208 HydrophobicContact CE1-CG2 4.29Å
112G97.4Very high94.5Very high2 Ų252.2 Ų52.22%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-83.9137171.200000111.1Y114G112-Y114 VanDerWaalsContact CA-CE2 3.49Å; G112-Y114 WeakPolarHBondContact O-CD2 3.41Å; G112-Y114 WeakPolarHBondContact O-CE2 3.36Å
113V97.8Very high94.7Very high1 Ų151.9 Ų51.91%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-89.4104162.8-1730000106.7L35 V40 L122 L123 I125 I135L35-V113 HydrophobicContact CD1-CB 4.47Å; L35-V113 HydrophobicContact CD1-CG1 3.98Å; V40-V113 HydrophobicContact CB-CG1 3.66Å; V40-V113 HydrophobicContact CG1-CG1 4Å; V40-V113 HydrophobicContact CG2-CG1 3.94Å; V113-L122 PolarHBondContact O-N 2.96Å; V113-L123 HydrophobicContact CB-CB 4.01Å; V113-L123 WeakPolarHBondContact CB-O 3.28Å; V113-L123 HydrophobicContact CG2-CB 3.86Å; V113-L123 HydrophobicContact CG2-CD2 4.01Å; V113-L123 HydrophobicContact CG2-CG 3.96Å; V113-L123 WeakPolarHBondContact CG2-O 3.19Å; V113-L123 PolarHBondContact N-O 3.09Å; V113-I125 HydrophobicContact CG2-CD1 4.25Å; V113-I125 HydrophobicContact CG2-CG1 4.25Å; V113-I125 HydrophobicContact CG2-CG2 4.13Å; V113-I135 HydrophobicContact CB-CG2 4.32Å; V113-I135 HydrophobicContact CG1-CD1 3.79Å; V113-I135 HydrophobicContact CG1-CG1 4.48Å; V113-I135 HydrophobicContact CG1-CG2 4.22Å; V113-I135 HydrophobicContact CG2-CD1 4.09Å; V113-I135 HydrophobicContact CG2-CG1 3.96Å; V113-I135 HydrophobicContact CG2-CG2 3.88Å
114Y96.4Very high94.8Very high30 Ų3054.6 Ų54.612%0.11826%0.261CS..EExtended strand (participates in β ladder)trans-106.4154.3-172.7-59.2-81.6000112.5G112 R118 E120 V121 Y138 Y209 G210G112-Y114 VanDerWaalsContact CA-CE2 3.49Å; G112-Y114 WeakPolarHBondContact O-CD2 3.41Å; G112-Y114 WeakPolarHBondContact O-CE2 3.36Å; Y114-R118 HydrophobicContact CD1-CB 4.03Å; Y114-R118 HydrophobicContact CD1-CG 4.4Å; Y114-R118 HydrophobicContact CD2-CB 4.39Å; Y114-R118 HydrophobicContact CD2-CG 3.87Å; Y114-R118 HydrophobicContact CE1-CB 4.44Å; Y114-R118 HydrophobicContact CE2-CG 4.35Å; Y114-R118 HydrophobicContact CG-CB 4Å; Y114-R118 HydrophobicContact CG-CG 3.89Å; Y114-E120 CarbonylContact C-O 3.53Å; Y114-E120 WeakPolarHBondContact CA-O 3.27Å; Y114-V121 HydrophobicContact CD1-CB 4.13Å; Y114-V121 HydrophobicContact CE1-CB 4.16Å; Y114-Y138 HydrophobicContact CD2-CD2 4.31Å; Y114-Y138 AromaticContact CD2-CE2 3.79Å; Y114-Y138 HydrophobicContact CD2-CE2 3.79Å; Y114-Y138 HydrophobicContact CE2-CD2 4.47Å; Y114-Y138 HydrophobicContact CE2-CE2 4.38Å; Y114-Y209 HydrophobicContact CE1-CD2 4.46Å; Y114-G210 PolarHBondContact OH-N 3.08Å
115I95.1Very high95.1Very high3 Ų349 Ų492%0.01524%0.237CC..EExtended strand (participates in β ladder)trans-121.9168.416360.3174.6000109Y38 V40 D117 R118 E119 E120 L122Y38-I115 HydrophobicContact CD1-CD1 4.43Å; Y38-I115 HydrophobicContact CD1-CG2 4.42Å; Y38-I115 HydrophobicContact CD2-CD1 3.76Å; Y38-I115 HydrophobicContact CD2-CG2 4.33Å; Y38-I115 HydrophobicContact CE1-CD1 4.2Å; Y38-I115 HydrophobicContact CE2-CD1 3.47Å; Y38-I115 VanDerWaalsContact CE2-CD1 3.47Å; Y38-I115 HydrophobicContact CG-CD1 4.21Å; Y38-I115 HydrophobicContact CG-CG2 3.98Å; V40-I115 HydrophobicContact CG1-CG2 4.11Å; I115-D117 PolarHBondContact O-N 3.32Å; I115-R118 PolarHBondContact O-N 3.42Å; I115-E119 PolarHBondContact O-N 3.33Å; I115-E120 HydrophobicContact CD1-CB 4.28Å; I115-E120 HydrophobicContact CD1-CG 4.35Å; I115-E120 HydrophobicContact CG1-CB 3.82Å; I115-E120 HydrophobicContact CG1-CG 4.28Å; I115-E120 PolarHBondContact N-O 3.08Å; I115-E120 PolarHBondContact O-N 3.16Å; I115-L122 HydrophobicContact CD1-CD1 4.21Å; I115-L122 HydrophobicContact CD1-CD2 4.07Å; I115-L122 HydrophobicContact CD1-CG 4.27Å; I115-L122 HydrophobicContact CG1-CG 4.38Å; I115-L122 HydrophobicContact CG2-CD1 3.64Å; I115-L122 HydrophobicContact CG2-CG 4.23Å
116H92.4Very high95.5Very high80 Ų8048.3 Ų48.337%0.3723%0.229SC..THydrogen-bonded Turntrans54.452.2173.9-51.4-33.6000112.8R118 E119H116-R118 VanDerWaalsContact C-N 3.35Å; H116-R118 PolarHBondContact O-N 3.22Å; H116-E119 HydrophobicContact CB-CB 4.21Å; H116-E119 VanDerWaalsContact O-CB 3.28Å; H116-E119 WeakPolarHBondContact O-CB 3.3Å; H116-E119 WeakPolarHBondContact O-CG 3.49Å; H116-E119 PolarHBondContact O-N 3.14Å; H116-E119 VanDerWaalsContact O-N 3.11Å
117D89Confident95.6Very high123 Ų12349.2 Ų49.266%0.65823%0.232SC*.THydrogen-bonded Turntrans53.544.5178.3-162.527.7000114.6I115 E119I115-D117 PolarHBondContact O-N 3.32Å; D117-E119 VanDerWaalsContact C-N 3.32Å; D117-E119 PolarHBondContact O-N 3.33Å
118R93.5Very high95.7Very high46 Ų4646.5 Ų46.517%0.17422%0.223CC..THydrogen-bonded Turntrans7213.8-179-53179.959.5-133.41.2115.9Y114 I115 H116 Y138 L207 L211Y114-R118 HydrophobicContact CD1-CB 4.03Å; Y114-R118 HydrophobicContact CD1-CG 4.4Å; Y114-R118 HydrophobicContact CD2-CB 4.39Å; Y114-R118 HydrophobicContact CD2-CG 3.87Å; Y114-R118 HydrophobicContact CE1-CB 4.44Å; Y114-R118 HydrophobicContact CE2-CG 4.35Å; Y114-R118 HydrophobicContact CG-CB 4Å; Y114-R118 HydrophobicContact CG-CG 3.89Å; I115-R118 PolarHBondContact O-N 3.42Å; H116-R118 VanDerWaalsContact C-N 3.35Å; H116-R118 PolarHBondContact O-N 3.22Å; R118-Y138 HydrophobicContact CG-CD1 4.48Å; R118-Y138 HydrophobicContact CG-CE1 3.86Å; R118-Y138 HydrophobicContact CG-CE2 4.19Å; R118-L207 VanDerWaalsContact CZ-CD2 3.47Å; R118-L211 PolarHBondContact NH2-O 3.28Å
119E92.8Very high95.8Very high170 Ų17040.1 Ų40.179%0.79419%0.188SC*.THydrogen-bonded Turntrans-71.8-34.4174.1-69.9179.1-177.800113.1I115 H116 D117I115-E119 PolarHBondContact O-N 3.33Å; H116-E119 HydrophobicContact CB-CB 4.21Å; H116-E119 VanDerWaalsContact O-CB 3.28Å; H116-E119 WeakPolarHBondContact O-CB 3.3Å; H116-E119 WeakPolarHBondContact O-CG 3.49Å; H116-E119 PolarHBondContact O-N 3.14Å; H116-E119 VanDerWaalsContact O-N 3.11Å; D117-E119 VanDerWaalsContact C-N 3.32Å; D117-E119 PolarHBondContact O-N 3.33Å
120E95.4Very high96Very high93 Ų9337 Ų3744%0.43517%0.174SC..EExtended strand (participates in β ladder)trans-129.1136.7-178.3-177175.215900111.8Y114 I115 L122Y114-E120 CarbonylContact C-O 3.53Å; Y114-E120 WeakPolarHBondContact CA-O 3.27Å; I115-E120 HydrophobicContact CD1-CB 4.28Å; I115-E120 HydrophobicContact CD1-CG 4.35Å; I115-E120 HydrophobicContact CG1-CB 3.82Å; I115-E120 HydrophobicContact CG1-CG 4.28Å; I115-E120 PolarHBondContact N-O 3.08Å; I115-E120 PolarHBondContact O-N 3.16Å; E120-L122 HydrophobicContact CG-CD2 4.36Å
121V97.1Very high95.9Very high28 Ų2834.2 Ų34.217%0.1716%0.159CC..EExtended strand (participates in β ladder)trans-103.1127.417559.80000110.1V80 Y114 L123 R124 Y209V80-V121 HydrophobicContact CG1-CG1 4.23Å; V80-V121 HydrophobicContact CG1-CG2 4.26Å; V80-V121 WeakPolarHBondContact CG2-O 3.49Å; Y114-V121 HydrophobicContact CD1-CB 4.13Å; Y114-V121 HydrophobicContact CE1-CB 4.16Å; V121-L123 WeakPolarHBondContact CG2-O 3.28Å; V121-R124 HydrophobicContact CG2-CG 4.4Å; V121-Y209 HydrophobicContact CB-CE2 4.02Å; V121-Y209 HydrophobicContact CG1-CE2 3.9Å; V121-Y209 HydrophobicContact CG2-CD2 4.2Å; V121-Y209 HydrophobicContact CG2-CE2 3.79Å
122L97.2Very high95.9Very high2 Ų233.6 Ų33.61%0.0116%0.157CC..EExtended strand (participates in β ladder)trans-98.9-24.5177.8-62-175.6000113.2L35 Y38 V40 R83 V113 I115 E120L35-L122 HydrophobicContact CB-CB 4.18Å; L35-L122 HydrophobicContact CB-CD1 3.75Å; L35-L122 HydrophobicContact CD1-CB 3.82Å; Y38-L122 HydrophobicContact CD2-CD1 3.79Å; Y38-L122 HydrophobicContact CG-CD1 4.35Å; V40-L122 HydrophobicContact CG1-CD1 4.2Å; R83-L122 WeakPolarHBondContact CD-O 3.26Å; R83-L122 PolarHBondContact NH1-O 3.11Å; V113-L122 PolarHBondContact O-N 2.96Å; I115-L122 HydrophobicContact CD1-CD1 4.21Å; I115-L122 HydrophobicContact CD1-CD2 4.07Å; I115-L122 HydrophobicContact CD1-CG 4.27Å; I115-L122 HydrophobicContact CG1-CG 4.38Å; I115-L122 HydrophobicContact CG2-CD1 3.64Å; I115-L122 HydrophobicContact CG2-CG 4.23Å; E120-L122 HydrophobicContact CG-CD2 4.36Å
123L97.2Very high95.9Very high0 Ų033.5 Ų33.50%016%0.156CC..EExtended strand (participates in β ladder)trans-162.1145.8-175.1168.866.7000109.3F33 L35 R83 S84 V87 V113 V121 I125F33-L123 HydrophobicContact CE1-CD2 4.3Å; F33-L123 HydrophobicContact CZ-CD2 4.22Å; L35-L123 HydrophobicContact CD1-CB 3.61Å; L35-L123 HydrophobicContact CD1-CD2 4.01Å; L35-L123 HydrophobicContact CD1-CG 4.46Å; R83-L123 HydrophobicContact CB-CD1 3.76Å; R83-L123 WeakPolarHBondContact O-CD1 3.48Å; S84-L123 VanDerWaalsContact CA-CD1 3.48Å; V87-L123 HydrophobicContact CB-CD1 4.03Å; V87-L123 HydrophobicContact CG1-CD2 4.48Å; V87-L123 HydrophobicContact CG2-CD1 3.87Å; V87-L123 HydrophobicContact CG2-CD2 4.05Å; V113-L123 HydrophobicContact CB-CB 4.01Å; V113-L123 WeakPolarHBondContact CB-O 3.28Å; V113-L123 HydrophobicContact CG2-CB 3.86Å; V113-L123 HydrophobicContact CG2-CD2 4.01Å; V113-L123 HydrophobicContact CG2-CG 3.96Å; V113-L123 WeakPolarHBondContact CG2-O 3.19Å; V113-L123 PolarHBondContact N-O 3.09Å; V121-L123 WeakPolarHBondContact CG2-O 3.28Å; L123-I125 HydrophobicContact CD1-CG2 4.25Å; L123-I125 HydrophobicContact CD2-CG2 3.49Å; L123-I125 VanDerWaalsContact CD2-CG2 3.49Å; L123-I125 HydrophobicContact CG-CG2 3.62Å
124R98.1Very high95.9Very high56 Ų5633.5 Ų33.521%0.21116%0.155CC..EExtended strand (participates in β ladder)trans-104.7139.2163.2-61175.2-69.6162.4-8.6109.1N81 S84 D110 Y111 V121 Y209N81-R124 PolarHBondContact OD1-NH2 3.46Å; S84-R124 WeakPolarHBondContact OG-CB 3.32Å; S84-R124 PolarHBondContact OG-N 3.44Å; D110-R124 HydrophobicContact CB-CB 4.25Å; D110-R124 IonicContact OD2-NH1 2.7Å; Y111-R124 WeakPolarHBondContact O-CA 3.19Å; V121-R124 HydrophobicContact CG2-CG 4.4Å; R124-Y209 HydrophobicContact CG-CD1 4.19Å; R124-Y209 HydrophobicContact CG-CD2 3.95Å; R124-Y209 HydrophobicContact CG-CE1 4.36Å; R124-Y209 HydrophobicContact CG-CE2 4.13Å; R124-Y209 HydrophobicContact CG-CG 3.98Å
125I98Very high96Very high4 Ų432.2 Ų32.22%0.02115%0.15CC..EExtended strand (participates in β ladder)trans-134.7146.6177.962.3173.8000110.4V87 D110 Y111 V113 L123 R127 S130 L133 I135V87-I125 HydrophobicContact CG1-CG2 3.96Å; D110-I125 CarbonylContact C-O 3.55Å; D110-I125 WeakPolarHBondContact CA-O 3.29Å; Y111-I125 PolarHBondContact N-O 2.99Å; Y111-I125 PolarHBondContact O-N 2.77Å; V113-I125 HydrophobicContact CG2-CD1 4.25Å; V113-I125 HydrophobicContact CG2-CG1 4.25Å; V113-I125 HydrophobicContact CG2-CG2 4.13Å; L123-I125 HydrophobicContact CD1-CG2 4.25Å; L123-I125 HydrophobicContact CD2-CG2 3.49Å; L123-I125 VanDerWaalsContact CD2-CG2 3.49Å; L123-I125 HydrophobicContact CG-CG2 3.62Å; I125-R127 PolarHBondContact O-N 3.25Å; I125-S130 VanDerWaalsContact CD1-CA 3.49Å; I125-L133 HydrophobicContact CG2-CD1 4.34Å; I125-I135 HydrophobicContact CD1-CB 3.92Å; I125-I135 HydrophobicContact CD1-CG1 3.61Å; I125-I135 HydrophobicContact CD1-CG2 4.27Å
126E97.7Very high96.1Very high6 Ų632.7 Ų32.73%0.02815%0.153CC..EExtended strand (participates in β ladder)trans-64.2138.4174.6-161.8-77.4157.200110.3W106 R107 S128 A129W106-E126 HydrophobicContact CD2-CG 3.82Å; W106-E126 HydrophobicContact CE3-CB 4.34Å; W106-E126 HydrophobicContact CE3-CG 3.95Å; W106-E126 HydrophobicContact CH2-CB 3.6Å; W106-E126 HydrophobicContact CH2-CG 3.76Å; W106-E126 HydrophobicContact CZ2-CB 3.92Å; W106-E126 HydrophobicContact CZ2-CG 3.61Å; W106-E126 HydrophobicContact CZ3-CB 3.84Å; W106-E126 HydrophobicContact CZ3-CG 3.92Å; R107-E126 PolarHBondContact N-OE1 2.84Å; E126-S128 VanDerWaalsContact C-N 3.25Å; E126-S128 PolarHBondContact O-N 3.2Å; E126-S128 VanDerWaalsContact O-N 3.11Å; E126-S128 VanDerWaalsContact OE2-CA 3.26Å; E126-S128 WeakPolarHBondContact OE2-CA 3.38Å; E126-S128 WeakPolarHBondContact OE2-CB 3.26Å; E126-S128 PolarHBondContact OE2-N 3.49Å; E126-S128 PolarHBondContact OE2-OG 2.85Å; E126-A129 WeakPolarHBondContact O-CA 3.45Å; E126-A129 WeakPolarHBondContact O-CB 3.09Å; E126-A129 PolarHBondContact O-N 3.27Å
127R96.2Very high96.3Very high55 Ų5530.1 Ų30.121%0.20814%0.14CC..G310 helixtrans-46.7-42.2-174.1175.5166.8178.6-166.66.6114.3E109 Y111 I125 A129 S130E109-R127 HydrophobicContact CB-CB 4.31Å; E109-R127 WeakPolarHBondContact O-CB 3.39Å; E109-R127 PolarHBondContact O-N 2.85Å; E109-R127 WeakPolarHBondContact OE2-CD 3.35Å; E109-R127 IonicContact OE2-CZ 3.81Å; E109-R127 IonicContact OE2-NE 3.97Å; E109-R127 IonicContact OE2-NH1 3.76Å; E109-R127 PolarHBondContact OE2-NH1 2.76Å; Y111-R127 HydrophobicContact CD1-CB 4.1Å; Y111-R127 HydrophobicContact CD1-CG 4.28Å; Y111-R127 HydrophobicContact CD2-CG 4.48Å; Y111-R127 HydrophobicContact CE1-CB 4.02Å; Y111-R127 HydrophobicContact CE1-CG 3.73Å; Y111-R127 HydrophobicContact CE2-CG 3.96Å; Y111-R127 HydrophobicContact CG-CB 4.45Å; Y111-R127 WeakPolarHBondContact OH-CD 3.26Å; Y111-R127 PolarHBondContact OH-NE 3.15Å; I125-R127 PolarHBondContact O-N 3.25Å; R127-A129 VanDerWaalsContact C-N 3.32Å; R127-A129 PolarHBondContact O-N 2.46Å; R127-S130 PolarHBondContact O-N 3.18Å; R127-S130 PolarHBondContact O-OG 2.88Å
128S95.1Very high96.7Very high6 Ų625.3 Ų25.34%0.04211%0.113CC..G310 helixtrans-70.5-23.2179.384.20000113.8A102 G105 E126A102-S128 CarbonylContact C-O 3.59Å; A102-S128 WeakPolarHBondContact CB-O 3.42Å; A102-S128 VanDerWaalsContact O-CB 3.29Å; A102-S128 WeakPolarHBondContact O-CB 3.39Å; G105-S128 WeakPolarHBondContact O-CB 3.39Å; E126-S128 VanDerWaalsContact C-N 3.25Å; E126-S128 PolarHBondContact O-N 3.2Å; E126-S128 VanDerWaalsContact O-N 3.11Å; E126-S128 VanDerWaalsContact OE2-CA 3.26Å; E126-S128 WeakPolarHBondContact OE2-CA 3.38Å; E126-S128 WeakPolarHBondContact OE2-CB 3.26Å; E126-S128 PolarHBondContact OE2-N 3.49Å; E126-S128 PolarHBondContact OE2-OG 2.85Å
129A97.3Very high96.9Very high0 Ų023.2 Ų23.20%011%0.106CC..G310 helixtrans-82.8-17.1176.900000113.7M91 L103 E126 R127 S131 L132 L133M91-A129 HydrophobicContact CB-CB 4.35Å; M91-A129 HydrophobicContact CG-CB 3.71Å; M91-A129 HydrophobicContact SD-CB 3.78Å; L103-A129 HydrophobicContact CD2-CB 3.72Å; E126-A129 WeakPolarHBondContact O-CA 3.45Å; E126-A129 WeakPolarHBondContact O-CB 3.09Å; E126-A129 PolarHBondContact O-N 3.27Å; R127-A129 VanDerWaalsContact C-N 3.32Å; R127-A129 PolarHBondContact O-N 2.46Å; A129-S131 VanDerWaalsContact C-N 3.29Å; A129-S131 PolarHBondContact O-N 2.84Å; A129-L132 VanDerWaalsContact O-CB 3.3Å; A129-L132 WeakPolarHBondContact O-CB 3.28Å; A129-L132 PolarHBondContact O-N 2.74Å; A129-L133 PolarHBondContact O-N 3.08Å
130S97.4Very high97.2Very high0 Ų015.1 Ų15.10%07%0.068CC..THydrogen-bonded Turntrans-59.6-30.5-174.6570000115.2I125 R127 G134 I135 R137I125-S130 VanDerWaalsContact CD1-CA 3.49Å; R127-S130 PolarHBondContact O-N 3.18Å; R127-S130 PolarHBondContact O-OG 2.88Å; S130-G134 WeakPolarHBondContact O-CA 3.3Å; S130-G134 PolarHBondContact O-N 3.05Å; S130-I135 PolarHBondContact O-N 3.29Å; S130-R137 PolarHBondContact OG-NE 2.81Å; S130-R137 PolarHBondContact OG-NH2 2.99Å
131S96.3Very high97.4Very high1 Ų110.9 Ų10.91%0.0075%0.048CC..THydrogen-bonded Turntrans-78.5-24.6176.851.90000112.9A129 L133 G134 R137 R249 G250 V251 C252A129-S131 VanDerWaalsContact C-N 3.29Å; A129-S131 PolarHBondContact O-N 2.84Å; S131-L133 VanDerWaalsContact C-N 3.34Å; S131-G134 PolarHBondContact O-N 2.65Å; S131-R137 PolarHBondContact OG-NH2 2.96Å; S131-R249 CarbonylContact C-O 3.28Å; S131-R249 VanDerWaalsContact CB-O 3.27Å; S131-R249 WeakPolarHBondContact CB-O 3.27Å; S131-R249 WeakPolarHBondContact OG-CB 3.43Å; S131-R249 PolarHBondContact OG-O 3.16Å; S131-G250 CarbonylContact O-C 3.55Å; S131-G250 WeakPolarHBondContact O-CA 3.41Å; S131-V251 VanDerWaalsContact CA-O 3.26Å; S131-V251 WeakPolarHBondContact CA-O 3.37Å; S131-V251 PolarHBondContact O-N 2.93Å; S131-C252 WeakPolarHBondContact CB-SG 3.26Å
132L97.1Very high97.5Very high0 Ų09.5 Ų9.50%04%0.04CC..THydrogen-bonded Turntrans-70.4-36.3177.7-171.1127.3000111F47 L51 M91 F100 A129F47-L132 HydrophobicContact CB-CD1 4.46Å; F47-L132 HydrophobicContact CB-CG 4.18Å; F47-L132 HydrophobicContact CD1-CD1 3.42Å; F47-L132 VanDerWaalsContact CD1-CD1 3.42Å; F47-L132 HydrophobicContact CD1-CG 3.83Å; F47-L132 HydrophobicContact CD2-CG 4.18Å; F47-L132 HydrophobicContact CE1-CD1 3.75Å; F47-L132 HydrophobicContact CE1-CG 4.29Å; F47-L132 HydrophobicContact CG-CD1 3.94Å; F47-L132 HydrophobicContact CG-CG 3.81Å; F47-L132 HydrophobicContact CZ-CD1 4.49Å; L51-L132 HydrophobicContact CD1-CD2 4.33Å; L51-L132 HydrophobicContact CD2-CD2 3.86Å; L51-L132 HydrophobicContact CG-CD2 4.35Å; M91-L132 HydrophobicContact CE-CD2 4.1Å; M91-L132 HydrophobicContact SD-CD2 4.05Å; F100-L132 HydrophobicContact CB-CD1 4.15Å; F100-L132 HydrophobicContact CD2-CD1 3.29Å; F100-L132 HydrophobicContact CE2-CD1 3.71Å; F100-L132 HydrophobicContact CG-CD1 3.75Å; F100-L132 HydrophobicContact CZ-CD1 4.47Å; A129-L132 VanDerWaalsContact O-CB 3.3Å; A129-L132 WeakPolarHBondContact O-CB 3.28Å; A129-L132 PolarHBondContact O-N 2.74Å
133L97.7Very high97.5Very high0 Ų09.4 Ų9.40%04%0.04CC..THydrogen-bonded Turntrans-96-0174.8-59.7-176.1000113.6F33 G41 F42 I43 L51 F58 V87 M91 I125 A129 S131 I135F33-L133 HydrophobicContact CD1-CB 4.06Å; F33-L133 HydrophobicContact CE1-CB 4.17Å; F33-L133 HydrophobicContact CE1-CD1 3.88Å; F33-L133 HydrophobicContact CE1-CG 4.47Å; F33-L133 HydrophobicContact CZ-CD1 4.22Å; G41-L133 CarbonylContact C-O 3.51Å; F42-L133 PolarHBondContact N-O 3Å; F42-L133 CarbonylContact O-C 3.59Å; I43-L133 HydrophobicContact CD1-CD2 4.03Å; I43-L133 HydrophobicContact CG1-CD2 4.11Å; L51-L133 HydrophobicContact CD1-CD2 3.94Å; L51-L133 HydrophobicContact CD2-CD2 4.26Å; F58-L133 HydrophobicContact CE1-CD1 4.43Å; F58-L133 HydrophobicContact CE1-CD2 4.04Å; F58-L133 HydrophobicContact CZ-CD1 4.33Å; F58-L133 HydrophobicContact CZ-CD2 4.22Å; V87-L133 HydrophobicContact CG1-CD1 4.26Å; M91-L133 HydrophobicContact CE-CD1 4.01Å; M91-L133 HydrophobicContact CE-CD2 4.24Å; M91-L133 HydrophobicContact CE-CG 4.23Å; I125-L133 HydrophobicContact CG2-CD1 4.34Å; A129-L133 PolarHBondContact O-N 3.08Å; S131-L133 VanDerWaalsContact C-N 3.34Å; L133-I135 VanDerWaalsContact C-N 3.25Å; L133-I135 HydrophobicContact CB-CD1 4.45Å; L133-I135 HydrophobicContact CB-CG1 3.97Å; L133-I135 PolarHBondContact O-N 3.04Å
134G97.8Very high97.6Very high0 Ų09.4 Ų9.40%04%0.04CC..THydrogen-bonded Turntrans55.235.8179.700000114.8G41 F42 S130 S131 V251 P253G41-G134 CarbonylContact C-O 3.57Å; G41-G134 WeakPolarHBondContact CA-O 3.46Å; F42-G134 PolarHBondContact N-O 2.87Å; F42-G134 WeakPolarHBondContact O-CA 3.26Å; F42-G134 PolarHBondContact O-N 2.97Å; F42-G134 VanDerWaalsContact O-N 3.16Å; S130-G134 WeakPolarHBondContact O-CA 3.3Å; S130-G134 PolarHBondContact O-N 3.05Å; S131-G134 PolarHBondContact O-N 2.65Å; G134-V251 WeakPolarHBondContact CA-O 3.23Å; G134-P253 VanDerWaalsContact O-CG 3.31Å; G134-P253 WeakPolarHBondContact O-CG 3.32Å
135I97.7Very high97.6Very high3 Ų37.3 Ų7.32%0.0153%0.032CC..BIsolated β-bridgetrans-77.4142.1178.7-61.3-54.2000110F33 V40 V113 I125 S130 L133 R137F33-I135 HydrophobicContact CD1-CD1 3.58Å; F33-I135 HydrophobicContact CE1-CD1 3.86Å; V40-I135 HydrophobicContact CB-CD1 4.19Å; V40-I135 HydrophobicContact CG2-CD1 3.95Å; V40-I135 WeakPolarHBondContact O-CD1 3.23Å; V113-I135 HydrophobicContact CB-CG2 4.32Å; V113-I135 HydrophobicContact CG1-CD1 3.79Å; V113-I135 HydrophobicContact CG1-CG1 4.48Å; V113-I135 HydrophobicContact CG1-CG2 4.22Å; V113-I135 HydrophobicContact CG2-CD1 4.09Å; V113-I135 HydrophobicContact CG2-CG1 3.96Å; V113-I135 HydrophobicContact CG2-CG2 3.88Å; I125-I135 HydrophobicContact CD1-CB 3.92Å; I125-I135 HydrophobicContact CD1-CG1 3.61Å; I125-I135 HydrophobicContact CD1-CG2 4.27Å; S130-I135 PolarHBondContact O-N 3.29Å; L133-I135 VanDerWaalsContact C-N 3.25Å; L133-I135 HydrophobicContact CB-CD1 4.45Å; L133-I135 HydrophobicContact CB-CG1 3.97Å; L133-I135 PolarHBondContact O-N 3.04Å; I135-R137 PolarHBondContact O-N 3.39Å
136T97.3Very high97.6Very high13 Ų137.4 Ų7.48%0.083%0.033CC..PPolyproline II helixtrans-55122.8170.6-54.90000111.8Y138 I255 L333 F335T136-Y138 HydrophobicContact CG2-CD2 4.49Å; T136-Y138 HydrophobicContact CG2-CE1 4.25Å; T136-Y138 HydrophobicContact CG2-CE2 3.9Å; T136-I255 HydrophobicContact CG2-CB 4.34Å; T136-I255 HydrophobicContact CG2-CD1 3.75Å; T136-I255 HydrophobicContact CG2-CG1 3.78Å; T136-L333 HydrophobicContact CG2-CD1 3.95Å; T136-F335 WeakPolarHBondContact OG1-CD2 3.42Å; T136-F335 VanDerWaalsContact OG1-CE2 3.26Å; T136-F335 WeakPolarHBondContact OG1-CE2 3.13Å
137R96.8Very high97.5Very high26 Ų267.2 Ų7.210%0.0983%0.032CC..EExtended strand (participates in β ladder)trans-96.1142.5172.1-62176.3177.8-177.2-6.9109Y111 S130 S131 I135 P253 Q254 I255Y111-R137 HydrophobicContact CD2-CB 4.32Å; Y111-R137 HydrophobicContact CD2-CG 3.99Å; Y111-R137 HydrophobicContact CE2-CB 3.86Å; Y111-R137 HydrophobicContact CE2-CG 3.73Å; S130-R137 PolarHBondContact OG-NE 2.81Å; S130-R137 PolarHBondContact OG-NH2 2.99Å; S131-R137 PolarHBondContact OG-NH2 2.96Å; I135-R137 PolarHBondContact O-N 3.39Å; R137-P253 PolarHBondContact N-O 2.89Å; R137-Q254 VanDerWaalsContact CB-OE1 3.24Å; R137-Q254 CarbonylContact O-C 3.42Å; R137-Q254 WeakPolarHBondContact O-CA 3.4Å; R137-I255 PolarHBondContact O-N 3Å
138Y97.6Very high97.2Very high22 Ų226.4 Ų6.49%0.0863%0.032CC..EExtended strand (participates in β ladder)trans-111.2145.8175-60.8-92.7000109.1Y114 R118 T136 L207 I255 Y257Y114-Y138 HydrophobicContact CD2-CD2 4.31Å; Y114-Y138 AromaticContact CD2-CE2 3.79Å; Y114-Y138 HydrophobicContact CD2-CE2 3.79Å; Y114-Y138 HydrophobicContact CE2-CD2 4.47Å; Y114-Y138 HydrophobicContact CE2-CE2 4.38Å; R118-Y138 HydrophobicContact CG-CD1 4.48Å; R118-Y138 HydrophobicContact CG-CE1 3.86Å; R118-Y138 HydrophobicContact CG-CE2 4.19Å; T136-Y138 HydrophobicContact CG2-CD2 4.49Å; T136-Y138 HydrophobicContact CG2-CE1 4.25Å; T136-Y138 HydrophobicContact CG2-CE2 3.9Å; Y138-L207 PolarHBondContact O-N 3.25Å; Y138-I255 CarbonylContact C-O 3.55Å; Y138-I255 VanDerWaalsContact CA-O 3.26Å; Y138-I255 WeakPolarHBondContact CA-O 3.26Å; Y138-I255 HydrophobicContact CD1-CB 3.67Å; Y138-I255 HydrophobicContact CD1-CD1 4.37Å; Y138-I255 HydrophobicContact CD1-CG2 3.71Å; Y138-I255 HydrophobicContact CE1-CB 3.86Å; Y138-I255 HydrophobicContact CE1-CD1 3.63Å; Y138-I255 HydrophobicContact CE1-CG1 4.24Å; Y138-I255 HydrophobicContact CE1-CG2 3.92Å; Y138-Y257 AromaticContact CD1-CE2 3.87Å; Y138-Y257 HydrophobicContact CD1-CE2 3.87Å
139G97.9Very high96.8Very high2 Ų214.7 Ų14.72%0.0216%0.062CC..EExtended strand (participates in β ladder)trans-148.8164177.100000111.8G205 I255 E256 Y257G139-G205 CarbonylContact C-O 3.05Å; G139-G205 VanDerWaalsContact CA-O 3.23Å; G139-G205 WeakPolarHBondContact CA-O 3.32Å; G139-I255 PolarHBondContact N-O 2.77Å; G139-E256 VanDerWaalsContact CA-OE2 3.3Å; G139-E256 WeakPolarHBondContact CA-OE2 3.28Å; G139-Y257 WeakPolarHBondContact O-CD2 3.43Å; G139-Y257 PolarHBondContact O-N 2.94Å
140V98.7Very high96.2Very high0 Ų021.5 Ų21.50%09%0.089CC..EExtended strand (participates in β ladder)trans-120.2142.2173.8-59.10000108.9A204 G205 V213 C216 A217 E220 Y257 F259V140-A204 CarbonylContact O-C 3.58Å; V140-A204 WeakPolarHBondContact O-CA 3.5Å; V140-G205 PolarHBondContact N-O 3.17Å; V140-G205 PolarHBondContact O-N 3.41Å; V140-V213 HydrophobicContact CG1-CG1 3.91Å; V140-C216 HydrophobicContact CG1-CB 3.99Å; V140-C216 HydrophobicContact CG2-CB 4.24Å; V140-C216 VanDerWaalsContact CG2-SG 3.58Å; V140-A217 HydrophobicContact CB-CB 4.19Å; V140-A217 HydrophobicContact CG1-CB 4.39Å; V140-A217 HydrophobicContact CG2-CB 4.31Å; V140-E220 HydrophobicContact CG2-CG 3.92Å; V140-Y257 WeakPolarHBondContact CA-O 3.48Å; V140-F259 HydrophobicContact CB-CD2 4.44Å; V140-F259 HydrophobicContact CB-CE2 4.19Å; V140-F259 HydrophobicContact CG1-CE2 4.06Å
141H98.8Very high95.5Very high4 Ų423.2 Ų23.22%0.01910%0.098CC..EExtended strand (participates in β ladder)trans-137.2131.8177-81.2-110.9000109.6D200 N201 A204 E256 Y257 F259 K297 N299 S300 V303H141-D200 IonicContact CE1-OD1 2.77Å; H141-D200 IonicContact ND1-OD1 3.78Å; H141-N201 PolarHBondContact ND1-OD1 2.64Å; H141-A204 HydrophobicContact CB-CB 4.46Å; H141-E256 IonicContact CD2-OE2 3.82Å; H141-E256 PolarHBondContact CD2-OE2 3.23Å; H141-E256 IonicContact NE2-OE2 3.96Å; H141-Y257 PolarHBondContact N-O 3.36Å; H141-F259 PolarHBondContact O-N 2.96Å; H141-K297 PolarHBondContact CE1-NZ 3.32Å; H141-N299 PolarHBondContact CE1-ND2 3.02Å; H141-N299 PolarHBondContact NE2-ND2 3.04Å; H141-S300 PolarHBondContact CE1-OG 3.48Å; H141-V303 HydrophobicContact CB-CB 4.29Å; H141-V303 HydrophobicContact CB-CG1 3.89Å; H141-V303 HydrophobicContact CB-CG2 3.77Å
142V98.9Very high94.9Very high0 Ų025.5 Ų25.50%011%0.107CC..EExtended strand (participates in β ladder)trans-117.4112.7-176-169.80000111G144 N201 M202 A203 A217 L235 F259 L261V142-G144 PolarHBondContact O-N 3.2Å; V142-G144 VanDerWaalsContact O-N 3.13Å; V142-N201 WeakPolarHBondContact O-CB 3.15Å; V142-M202 HydrophobicContact CG1-CE 4.31Å; V142-M202 PolarHBondContact O-N 3.21Å; V142-M202 VanDerWaalsContact O-N 3.14Å; V142-A203 HydrophobicContact CB-CB 4.29Å; V142-A203 HydrophobicContact CG2-CB 4.35Å; V142-A203 PolarHBondContact N-O 2.74Å; V142-A217 HydrophobicContact CG2-CB 4.32Å; V142-L235 HydrophobicContact CG1-CD1 3.59Å; V142-L235 HydrophobicContact CG2-CD1 4.25Å; V142-F259 WeakPolarHBondContact CA-O 3.4Å; V142-F259 HydrophobicContact CB-CB 4.39Å; V142-F259 HydrophobicContact CG1-CB 4.24Å; V142-F259 HydrophobicContact CG2-CB 4.05Å; V142-L261 HydrophobicContact CG1-CB 3.9Å
143N98.9Very high94.2Very high0 Ų028.3 Ų28.30%013%0.126CC..EExtended strand (participates in β ladder)trans-75.992.9165.2-67.7-46000109.1F145 M183 N201 F259 D260 L261 V303 F307N143-F145 PolarHBondContact O-N 2.87Å; N143-M183 HydrophobicContact CB-CE 4.19Å; N143-N201 PolarHBondContact OD1-ND2 3.49Å; N143-F259 PolarHBondContact N-O 3.02Å; N143-D260 PolarHBondContact ND2-OD1 3.16Å; N143-L261 PolarHBondContact O-N 2.86Å; N143-V303 WeakPolarHBondContact ND2-CG1 3.44Å; N143-V303 PolarHBondContact ND2-O 3.46Å; N143-F307 HydrophobicContact CB-CD2 4.05Å
144G98.6Very high93.4Very high0 Ų033.2 Ų33.20%015%0.148CC..EExtended strand (participates in β ladder)trans-75.7116.7167.200000110V142 M183 W184 L261V142-G144 PolarHBondContact O-N 3.2Å; V142-G144 VanDerWaalsContact O-N 3.13Å; G144-M183 WeakPolarHBondContact O-CA 3.48Å; G144-W184 PolarHBondContact O-N 2.83Å; G144-L261 WeakPolarHBondContact CA-O 3.34Å
145F98.2Very high92.3Very high12 Ų1235.7 Ų35.75%0.05316%0.158CC..EExtended strand (participates in β ladder)trans-133.1156.3-177.174.9-83.4000111.9N143 L173 V181 F182 D260 L261 E262 L263 F307N143-F145 PolarHBondContact O-N 2.87Å; F145-L173 HydrophobicContact CD2-CD1 4.14Å; F145-L173 HydrophobicContact CE2-CD1 3.63Å; F145-L173 HydrophobicContact CE2-CD2 4.17Å; F145-L173 HydrophobicContact CE2-CG 4.47Å; F145-L173 HydrophobicContact CZ-CD1 4.01Å; F145-V181 HydrophobicContact CD2-CG1 4.31Å; F145-F182 CarbonylContact C-O 3.4Å; F145-F182 WeakPolarHBondContact CA-O 3.33Å; F145-F182 VanDerWaalsContact CB-O 3.25Å; F145-F182 WeakPolarHBondContact CB-O 3.44Å; F145-D260 HydrophobicContact CE1-CB 4.07Å; F145-L261 WeakPolarHBondContact CD1-O 3.5Å; F145-L261 PolarHBondContact N-O 3.49Å; F145-E262 HydrophobicContact CD2-CG 4.43Å; F145-E262 HydrophobicContact CE1-CB 3.92Å; F145-E262 HydrophobicContact CE2-CB 3.9Å; F145-E262 HydrophobicContact CE2-CG 3.78Å; F145-E262 HydrophobicContact CZ-CB 3.51Å; F145-E262 HydrophobicContact CZ-CG 3.94Å; F145-E262 CarbonylContact O-C 3.55Å; F145-E262 WeakPolarHBondContact O-CA 3.37Å; F145-L263 PolarHBondContact O-N 2.92Å; F145-F307 HydrophobicContact CB-CZ 4.4Å; F145-F307 AromaticContact CD1-CE2 3.89Å; F145-F307 HydrophobicContact CD1-CE2 3.89Å; F145-F307 HydrophobicContact CD1-CZ 4.31Å; F145-F307 HydrophobicContact CD2-CZ 4.4Å; F145-F307 HydrophobicContact CE1-CE2 4.25Å; F145-F307 HydrophobicContact CG-CE2 4.16Å; F145-F307 HydrophobicContact CG-CZ 4.12Å
146S96.9Very high91.1Very high5 Ų537.7 Ų37.74%0.03517%0.173CC..EExtended strand (participates in β ladder)trans-139.3155.1176.566.20000110.9F182 L263S146-F182 PolarHBondContact N-O 2.77Å; S146-F182 PolarHBondContact O-N 2.9Å; S146-L263 WeakPolarHBondContact CB-O 3.21Å
147L95.5Very high89.9Confident3 Ų341.9 Ų41.92%0.01620%0.195CC..EExtended strand (participates in β ladder)trans-92.7154.4169.8-59.3-179.7000109N151 K155 L173 I176 V181L147-N151 HydrophobicContact CB-CB 4.15Å; L147-N151 HydrophobicContact CD1-CB 4.38Å; L147-K155 HydrophobicContact CD1-CD 3.93Å; L147-L173 HydrophobicContact CD2-CD2 3.75Å; L147-I176 HydrophobicContact CD1-CD1 3.96Å; L147-I176 HydrophobicContact CD2-CD1 3.62Å; L147-I176 HydrophobicContact CG-CD1 4.45Å; L147-V181 HydrophobicContact CD2-CB 4.41Å; L147-V181 HydrophobicContact CD2-CG1 4.3Å; L147-V181 HydrophobicContact CD2-CG2 3.73Å
148N91.7Very high88Confident37 Ų3748.1 Ų48.120%0.19822%0.218CC..  trans-53.9154.8167.180.37.4000110.8Y150 N151 Y152 N180 F182N148-Y150 PolarHBondContact O-N 3.04Å; N148-Y150 VanDerWaalsContact O-N 3.09Å; N148-Y150 PolarHBondContact OD1-N 2.88Å; N148-N151 PolarHBondContact O-N 3.07Å; N148-N151 WeakPolarHBondContact OD1-CB 3.4Å; N148-N151 VanDerWaalsContact OD1-CG 3.25Å; N148-N151 PolarHBondContact OD1-N 3.29Å; N148-N151 PolarHBondContact OD1-ND2 2.6Å; N148-N151 VanDerWaalsContact OD1-ND2 3.14Å; N148-Y152 WeakPolarHBondContact O-CB 3.39Å; N148-Y152 PolarHBondContact O-N 3.29Å; N148-N180 PolarHBondContact N-O 3.14Å; N148-N180 VanDerWaalsContact ND2-CG 3.26Å; N148-N180 PolarHBondContact ND2-OD1 3.37Å; N148-F182 HydrophobicContact CB-CE2 4.1Å
149R85.9Confident86.1Confident181 Ų18153.2 Ų53.268%0.68325%0.246SC*.Hα-helixtrans-54-36.6-174.8-71.3-176.4-179.6176.4-0.1113.6S153 P265R149-S153 WeakPolarHBondContact O-CB 3.27Å; R149-S153 PolarHBondContact O-N 2.91Å; R149-S153 PolarHBondContact O-OG 3.39Å; R149-P265 HydrophobicContact CG-CB 3.88Å; R149-P265 HydrophobicContact CG-CG 3.87Å
150Y84.9Confident84Confident143 Ų14358.9 Ų58.956%0.56128%0.279SS*.Hα-helixtrans-65.7-51.2180177.9-100.2000112.5N148 Y152 S153 K154N148-Y150 PolarHBondContact O-N 3.04Å; N148-Y150 VanDerWaalsContact O-N 3.09Å; N148-Y150 PolarHBondContact OD1-N 2.88Å; Y150-Y152 VanDerWaalsContact C-N 3.34Å; Y150-S153 PolarHBondContact O-N 2.67Å; Y150-K154 HydrophobicContact CD1-CD 4.37Å; Y150-K154 HydrophobicContact CE1-CD 3.78Å; Y150-K154 VanDerWaalsContact CZ-NZ 3.33Å; Y150-K154 PolarHBondContact O-N 2.92Å; Y150-K154 VanDerWaalsContact O-N 3.14Å; Y150-K154 WeakPolarHBondContact OH-CE 3.46Å; Y150-K154 PolarHBondContact OH-NZ 3.32Å
151N82.8Confident81.5Confident35 Ų3565.8 Ų65.819%0.18732%0.317CS..Hα-helixtrans-68.7-36.1178.9-70.8-33.3000111.3L147 N148 K155 N180L147-N151 HydrophobicContact CB-CB 4.15Å; L147-N151 HydrophobicContact CD1-CB 4.38Å; N148-N151 PolarHBondContact O-N 3.07Å; N148-N151 WeakPolarHBondContact OD1-CB 3.4Å; N148-N151 VanDerWaalsContact OD1-CG 3.25Å; N148-N151 PolarHBondContact OD1-N 3.29Å; N148-N151 PolarHBondContact OD1-ND2 2.6Å; N148-N151 VanDerWaalsContact OD1-ND2 3.14Å; N151-K155 WeakPolarHBondContact O-CB 3.09Å; N151-K155 PolarHBondContact O-N 2.96Å; N151-K155 VanDerWaalsContact O-N 3.12Å; N151-N180 WeakPolarHBondContact ND2-CB 3.46Å
152Y83Confident78.7Confident50 Ų5067.8 Ų67.820%0.19634%0.338CS..Hα-helixtrans-60.4-49.5174.1-170.6-96.1000111.7N148 Y150 K154 K155 S156 P265N148-Y152 WeakPolarHBondContact O-CB 3.39Å; N148-Y152 PolarHBondContact O-N 3.29Å; Y150-Y152 VanDerWaalsContact C-N 3.34Å; Y152-K154 PolarHBondContact O-N 3Å; Y152-K155 WeakPolarHBondContact O-CB 3.35Å; Y152-K155 PolarHBondContact O-N 2.73Å; Y152-K155 VanDerWaalsContact O-N 3.11Å; Y152-S156 PolarHBondContact O-N 3.25Å; Y152-S156 PolarHBondContact O-OG 2.86Å; Y152-P265 HydrophobicContact CD1-CG 4Å; Y152-P265 HydrophobicContact CG-CG 4.01Å
153S82.6Confident76.1Confident58 Ų5873.1 Ų73.141%0.40638%0.376SS..Hα-helixtrans-63.4-43.3-179.5-53.60000112.3R149 Y150 K155 S156 D157R149-S153 WeakPolarHBondContact O-CB 3.27Å; R149-S153 PolarHBondContact O-N 2.91Å; R149-S153 PolarHBondContact O-OG 3.39Å; Y150-S153 PolarHBondContact O-N 2.67Å; S153-K155 PolarHBondContact O-N 3.29Å; S153-S156 WeakPolarHBondContact CA-OG 3.35Å; S153-S156 PolarHBondContact O-N 3.1Å; S153-S156 PolarHBondContact O-OG 3.43Å; S153-D157 VanDerWaalsContact O-CG 3.31Å; S153-D157 PolarHBondContact O-N 2.86Å
154K80Confident73.3Confident104 Ų10478.9 Ų78.945%0.45242%0.416SS..Hα-helixtrans-59.4-32.9174.1-85-176.6162.1-177.70113.2Y150 Y152 R158Y150-K154 HydrophobicContact CD1-CD 4.37Å; Y150-K154 HydrophobicContact CE1-CD 3.78Å; Y150-K154 VanDerWaalsContact CZ-NZ 3.33Å; Y150-K154 PolarHBondContact O-N 2.92Å; Y150-K154 VanDerWaalsContact O-N 3.14Å; Y150-K154 WeakPolarHBondContact OH-CE 3.46Å; Y150-K154 PolarHBondContact OH-NZ 3.32Å; Y152-K154 PolarHBondContact O-N 3Å; K154-R158 WeakPolarHBondContact O-CG 3.43Å
155K76.1Confident70.3Confident51 Ų5186.7 Ų86.722%0.22245%0.452CS..Hα-helixtrans-75.6-41.7177.9-170.5176.5174.9-177.20110.9L147 N151 Y152 S153 R158 E262L147-K155 HydrophobicContact CD1-CD 3.93Å; N151-K155 WeakPolarHBondContact O-CB 3.09Å; N151-K155 PolarHBondContact O-N 2.96Å; N151-K155 VanDerWaalsContact O-N 3.12Å; Y152-K155 WeakPolarHBondContact O-CB 3.35Å; Y152-K155 PolarHBondContact O-N 2.73Å; Y152-K155 VanDerWaalsContact O-N 3.11Å; S153-K155 PolarHBondContact O-N 3.29Å; K155-R158 PolarHBondContact O-N 2.9Å; K155-E262 IonicContact NZ-OE1 2.74Å; K155-E262 PolarHBondContact NZ-OE1 3.42Å; K155-E262 IonicContact NZ-OE2 2.81Å; K155-E262 PolarHBondContact NZ-OE2 2.84Å
156S73Confident67.4Low45 Ų4593.4 Ų93.432%0.31549%0.488SS..Hα-helixtrans-65.9-40.9177.7570000113.2Y152 S153 R158 I159Y152-S156 PolarHBondContact O-N 3.25Å; Y152-S156 PolarHBondContact O-OG 2.86Å; S153-S156 WeakPolarHBondContact CA-OG 3.35Å; S153-S156 PolarHBondContact O-N 3.1Å; S153-S156 PolarHBondContact O-OG 3.43Å; S156-R158 PolarHBondContact O-N 2.82Å; S156-I159 PolarHBondContact O-N 3.11Å; S156-I159 VanDerWaalsContact O-N 3.09Å
157D70.6Confident64.6Low101 Ų10197.4 Ų97.454%0.5452%0.516SS..Hα-helixtrans-62.4-25.6-179.3-70.4-16.9000113.3S153 N161S153-D157 VanDerWaalsContact O-CG 3.31Å; S153-D157 PolarHBondContact O-N 2.86Å; D157-N161 PolarHBondContact O-ND2 3.25Å
158R56.8Low61.9Low158 Ų158104.5 Ų104.560%0.59655%0.554SS**Hα-helixtrans-75.7-31.1176.8-71.2-179.5-178.8-170.13.4113.1K154 K155 S156 V160 N171K154-R158 WeakPolarHBondContact O-CG 3.43Å; K155-R158 PolarHBondContact O-N 2.9Å; S156-R158 PolarHBondContact O-N 2.82Å; R158-V160 VanDerWaalsContact C-N 3.31Å; R158-N171 PolarHBondContact NH1-ND2 3.2Å; R158-N171 PolarHBondContact NH1-OD1 3Å
159I57.8Low59.6Low129 Ų129109.6 Ų109.666%0.66258%0.582SS**Hα-helixtrans-71.1-31.9179.2-60.7173.2000110.3S156S156-I159 PolarHBondContact O-N 3.11Å; S156-I159 VanDerWaalsContact O-N 3.09Å
160V55.2Low57.9Low120 Ų120105.5 Ų105.573%0.72758%0.581SS**Hα-helixtrans-76.1-30.3-178.1-174.80000112.5R158R158-V160 VanDerWaalsContact C-N 3.31Å
161N46.2Very low56.4Low146 Ų146101.9 Ų101.978%0.78157%0.571SS**THydrogen-bonded Turntrans-98.49.8-172.5-72.5-44000115.2D157D157-N161 PolarHBondContact O-ND2 3.25Å
162G38.2Very low56.3Low46 Ų46102.7 Ų102.747%0.47458%0.579SS.*SBendtrans-135.6120.9-176.800000113
163S44.2Very low56.7Low112 Ų112100.7 Ų100.778%0.78357%0.572SS**  trans-42.4136158.5-37.20000110.1H165S163-H165 PolarHBondContact O-N 3.07Å
164S41.5Very low56.9Low121 Ų12199.8 Ų99.885%0.84657%0.568SS**  trans-60.380.9178.5-167.60000111.3
165H35.8Very low57.4Low163 Ų163102.7 Ų102.776%0.75558%0.583SS**  trans-94.3125.3160.5-95.6-53.1000106.5S163 S167S163-H165 PolarHBondContact O-N 3.07Å; H165-S167 PolarHBondContact O-N 3.39Å
166N37.7Very low58.2Low153 Ų153101.7 Ų101.782%0.81858%0.58SS**  trans-58.964171-79.4-18.6000111.7N168N166-N168 PolarHBondContact O-N 3.11Å
167S36.8Very low59.2Low89 Ų89103.4 Ų103.462%0.62259%0.586SS**  trans-79.697.4159.258.90000106.5H165 D169H165-S167 PolarHBondContact O-N 3.39Å; S167-D169 PolarHBondContact O-N 3.23Å
168N39.7Very low60.3Low152 Ų152100.3 Ų100.381%0.81357%0.571SS**  trans-59.24.7169-85.4-15.2000113.9N166 S170N166-N168 PolarHBondContact O-N 3.11Å; N168-S170 PolarHBondContact O-N 3.07Å; N168-S170 VanDerWaalsContact O-N 3.16Å
169D42.9Very low62.2Low145 Ų14596.9 Ų96.978%0.77556%0.564SS**  trans-85.752167.6-71.8-26.5000110.9S167 N171S167-D169 PolarHBondContact O-N 3.23Å; D169-N171 VanDerWaalsContact C-N 3.34Å; D169-N171 PolarHBondContact O-N 2.91Å
170S49.9Very low64Low95 Ų9593.1 Ų93.166%0.66455%0.545SS*.  trans-55.4105.9159.460.10000106.6N168 S172N168-S170 PolarHBondContact O-N 3.07Å; N168-S170 VanDerWaalsContact O-N 3.16Å; S170-S172 WeakPolarHBondContact O-CA 3.45Å; S170-S172 PolarHBondContact O-N 2.94Å
171N54.4Low66Low67 Ų6787.4 Ų87.436%0.35851%0.511SS..  trans-24.697.2179.9-78.5-27.7000111.7R158 D169 L173R158-N171 PolarHBondContact NH1-ND2 3.2Å; R158-N171 PolarHBondContact NH1-OD1 3Å; D169-N171 VanDerWaalsContact C-N 3.34Å; D169-N171 PolarHBondContact O-N 2.91Å; N171-L173 PolarHBondContact O-N 3.22Å
172S79.9Confident68.5Low51 Ų5183 Ų8336%0.35749%0.485SS..  trans-58.8129.4-174.1171.90000108.9S170 A174 Q175S170-S172 WeakPolarHBondContact O-CA 3.45Å; S170-S172 PolarHBondContact O-N 2.94Å; S172-A174 PolarHBondContact O-N 2.69Å; S172-A174 WeakPolarHBondContact OG-CB 3.47Å; S172-A174 PolarHBondContact OG-N 3.43Å; S172-Q175 PolarHBondContact O-N 2.78Å
173L91Very high71.4Confident9 Ų980.8 Ų80.85%0.04746%0.462CS..G310 helixtrans-50.8-26.9175.4-70.3-175.2000112.2F145 L147 N171 Q175 I176 F307 H311 F313F145-L173 HydrophobicContact CD2-CD1 4.14Å; F145-L173 HydrophobicContact CE2-CD1 3.63Å; F145-L173 HydrophobicContact CE2-CD2 4.17Å; F145-L173 HydrophobicContact CE2-CG 4.47Å; F145-L173 HydrophobicContact CZ-CD1 4.01Å; L147-L173 HydrophobicContact CD2-CD2 3.75Å; N171-L173 PolarHBondContact O-N 3.22Å; L173-Q175 PolarHBondContact O-N 3.47Å; L173-I176 HydrophobicContact CD2-CD1 3.95Å; L173-I176 PolarHBondContact O-N 3.44Å; L173-F307 HydrophobicContact CD1-CE2 4.36Å; L173-F307 HydrophobicContact CD1-CZ 3.7Å; L173-H311 HydrophobicContact CB-CB 4Å; L173-H311 HydrophobicContact CD1-CB 4.46Å; L173-F313 HydrophobicContact CB-CE2 4.12Å; L173-F313 HydrophobicContact CB-CZ 3.95Å
174A88Confident74Confident38 Ų3876.7 Ų76.731%0.31443%0.43SS..G310 helixtrans-48.4-23.7171.200000116.6S172 H311 K312S172-A174 PolarHBondContact O-N 2.69Å; S172-A174 WeakPolarHBondContact OG-CB 3.47Å; S172-A174 PolarHBondContact OG-N 3.43Å; A174-H311 WeakPolarHBondContact CA-O 3.44Å; A174-H311 WeakPolarHBondContact CB-O 3.44Å; A174-H311 PolarHBondContact N-O 2.83Å; A174-K312 HydrophobicContact CB-CB 3.81Å; A174-K312 HydrophobicContact CB-CD 3.95Å; A174-K312 HydrophobicContact CB-CG 4.16Å
175Q89.5Confident76.7Confident165 Ų16571 Ų7177%0.77139%0.389SS*.G310 helixtrans-95-6.9179.2-62.7-177.99.800113.4S172 L173S172-Q175 PolarHBondContact O-N 2.78Å; L173-Q175 PolarHBondContact O-N 3.47Å
176I92.7Very high79.7Confident30 Ų3063.2 Ų63.215%0.15435%0.354CS..SBendtrans-93136.1-179.5-54.1-178.4000107.9L147 L173 N180 V181L147-I176 HydrophobicContact CD1-CD1 3.96Å; L147-I176 HydrophobicContact CD2-CD1 3.62Å; L147-I176 HydrophobicContact CG-CD1 4.45Å; L173-I176 HydrophobicContact CD2-CD1 3.95Å; L173-I176 PolarHBondContact O-N 3.44Å; I176-N180 HydrophobicContact CG2-CB 3.92Å; I176-V181 HydrophobicContact CB-CG2 3.96Å; I176-V181 HydrophobicContact CG2-CG2 3.62Å
177D93.6Very high82.6Confident82 Ų8258.5 Ų58.544%0.43933%0.328SS..  trans-53.2128.9171.3-172.8-31.9000110D179 N180D177-D179 PolarHBondContact O-N 2.9Å; D177-D179 VanDerWaalsContact O-N 3.09Å; D177-D179 PolarHBondContact OD1-N 3.22Å; D177-N180 HydrophobicContact CB-CB 4.5Å; D177-N180 WeakPolarHBondContact O-CA 3.49Å; D177-N180 WeakPolarHBondContact O-CB 3.43Å; D177-N180 PolarHBondContact O-N 2.76Å
178P94.3Very high85.5Confident36 Ų3655 Ų5523%0.23430%0.302CS..G310 helixtrans-56.8-21.1178.324-36000114.4N180 I284 F313P178-N180 PolarHBondContact O-N 3.14Å; P178-I284 HydrophobicContact CB-CB 3.92Å; P178-I284 HydrophobicContact CB-CG2 3.8Å; P178-I284 WeakPolarHBondContact O-CB 3.29Å; P178-I284 PolarHBondContact O-N 2.94Å; P178-I284 VanDerWaalsContact O-N 3.1Å; P178-F313 HydrophobicContact CB-CD1 4Å; P178-F313 HydrophobicContact CB-CE1 4.23Å
179D96.3Very high88.3Confident85 Ų8548.3 Ų48.346%0.45527%0.267SS..G310 helixtrans-74.6-11.6173.2-70.5-22.4000113.3D177 F182 S285D177-D179 PolarHBondContact O-N 2.9Å; D177-D179 VanDerWaalsContact O-N 3.09Å; D177-D179 PolarHBondContact OD1-N 3.22Å; D179-F182 VanDerWaalsContact O-CZ 3.22Å; D179-F182 WeakPolarHBondContact O-CZ 3.47Å; D179-S285 WeakPolarHBondContact OD1-CB 3.46Å; D179-S285 PolarHBondContact OD1-OG 3.35Å
180N96.5Very high90.8Very high50 Ų5047.6 Ų47.627%0.26726%0.262SS..G310 helixtrans-1085.1-179-69.4-50000113.9N148 N151 I176 D177 P178N148-N180 PolarHBondContact N-O 3.14Å; N148-N180 VanDerWaalsContact ND2-CG 3.26Å; N148-N180 PolarHBondContact ND2-OD1 3.37Å; N151-N180 WeakPolarHBondContact ND2-CB 3.46Å; I176-N180 HydrophobicContact CG2-CB 3.92Å; D177-N180 HydrophobicContact CB-CB 4.5Å; D177-N180 WeakPolarHBondContact O-CA 3.49Å; D177-N180 WeakPolarHBondContact O-CB 3.43Å; D177-N180 PolarHBondContact O-N 2.76Å; P178-N180 PolarHBondContact O-N 3.14Å
181V97.8Very high92.8Very high0 Ų049.7 Ų49.70%027%0.265CS..EExtended strand (participates in β ladder)trans-117.3129.1171.2-173.60000107.2F145 L147 I176 S283 I284 F313F145-V181 HydrophobicContact CD2-CG1 4.31Å; L147-V181 HydrophobicContact CD2-CB 4.41Å; L147-V181 HydrophobicContact CD2-CG1 4.3Å; L147-V181 HydrophobicContact CD2-CG2 3.73Å; I176-V181 HydrophobicContact CB-CG2 3.96Å; I176-V181 HydrophobicContact CG2-CG2 3.62Å; V181-S283 CarbonylContact O-C 3.57Å; V181-S283 WeakPolarHBondContact O-CA 3.45Å; V181-I284 HydrophobicContact CB-CG1 3.69Å; V181-I284 HydrophobicContact CG1-CD1 4.39Å; V181-I284 HydrophobicContact CG1-CG1 3.71Å; V181-I284 PolarHBondContact O-N 2.83Å; V181-F313 HydrophobicContact CB-CZ 4.24Å; V181-F313 HydrophobicContact CG1-CZ 4.4Å; V181-F313 HydrophobicContact CG2-CE1 4.47Å; V181-F313 HydrophobicContact CG2-CZ 3.91Å
182F98.2Very high94.5Very high54 Ų5447.3 Ų47.324%0.23725%0.252CS..EExtended strand (participates in β ladder)trans-121.8143.8-176.2-58.8-92.1000110.1F145 S146 N148 D179 L281 A282F145-F182 CarbonylContact C-O 3.4Å; F145-F182 WeakPolarHBondContact CA-O 3.33Å; F145-F182 VanDerWaalsContact CB-O 3.25Å; F145-F182 WeakPolarHBondContact CB-O 3.44Å; S146-F182 PolarHBondContact N-O 2.77Å; S146-F182 PolarHBondContact O-N 2.9Å; N148-F182 HydrophobicContact CB-CE2 4.1Å; D179-F182 VanDerWaalsContact O-CZ 3.22Å; D179-F182 WeakPolarHBondContact O-CZ 3.47Å; F182-L281 HydrophobicContact CB-CD1 3.5Å; F182-L281 HydrophobicContact CB-CD2 4.18Å; F182-L281 HydrophobicContact CB-CG 3.76Å; F182-L281 HydrophobicContact CD1-CD2 4.4Å; F182-L281 HydrophobicContact CD1-CG 4.19Å; F182-L281 HydrophobicContact CG-CD1 4.47Å; F182-L281 HydrophobicContact CG-CD2 4.35Å; F182-L281 HydrophobicContact CG-CG 4.25Å; F182-A282 CarbonylContact C-O 3.55Å; F182-A282 VanDerWaalsContact CA-O 3.28Å; F182-A282 WeakPolarHBondContact CA-O 3.04Å
183M98.7Very high94.7Very high0 Ų049.3 Ų49.30%026%0.264CS..EExtended strand (participates in β ladder)trans-120133.5177.3-175.5179.9-70.800109.3N143 G144 L185 A282 I284 I287 A304 F307N143-M183 HydrophobicContact CB-CE 4.19Å; G144-M183 WeakPolarHBondContact O-CA 3.48Å; M183-L185 HydrophobicContact CG-CD2 4.35Å; M183-L185 HydrophobicContact SD-CD2 4.22Å; M183-A282 PolarHBondContact N-O 3.16Å; M183-A282 PolarHBondContact O-N 3.1Å; M183-I284 HydrophobicContact CB-CD1 4.43Å; M183-I284 HydrophobicContact CE-CD1 4.09Å; M183-I287 HydrophobicContact CB-CD1 4.19Å; M183-I287 HydrophobicContact CB-CG1 4.1Å; M183-I287 HydrophobicContact SD-CD1 4.15Å; M183-I287 HydrophobicContact SD-CG1 4.3Å; M183-A304 HydrophobicContact SD-CB 4.43Å; M183-F307 HydrophobicContact CE-CB 4.14Å; M183-F307 HydrophobicContact CE-CD1 3.63Å; M183-F307 HydrophobicContact CE-CD2 4.08Å; M183-F307 HydrophobicContact CE-CE1 4.01Å; M183-F307 HydrophobicContact CE-CE2 4.41Å; M183-F307 HydrophobicContact CE-CG 3.68Å; M183-F307 HydrophobicContact CE-CZ 4.38Å
184W98.8Very high94.5Very high26 Ų2650.8 Ų50.810%0.09827%0.273CS..EExtended strand (participates in β ladder)trans-78.5128.1170.4-73.2112.8000109.9G144 M202 F267 P269 F279 L281G144-W184 PolarHBondContact O-N 2.83Å; W184-M202 HydrophobicContact CB-CB 3.94Å; W184-M202 HydrophobicContact CB-CG 3.8Å; W184-M202 HydrophobicContact CB-SD 4.05Å; W184-M202 HydrophobicContact CG-SD 4.35Å; W184-M202 PolarHBondContact O-N 2.61Å; W184-F267 VanDerWaalsContact CZ2-O 3.31Å; W184-F267 WeakPolarHBondContact CZ2-O 3.39Å; W184-P269 HydrophobicContact CD2-CG 3.66Å; W184-P269 VanDerWaalsContact CE2-CD 3.45Å; W184-P269 HydrophobicContact CE3-CG 3.72Å; W184-P269 HydrophobicContact CG-CG 4.08Å; W184-P269 HydrophobicContact CH2-CG 4.47Å; W184-P269 HydrophobicContact CZ2-CG 4.43Å; W184-P269 HydrophobicContact CZ3-CG 4.11Å; W184-F279 HydrophobicContact CE3-CB 3.99Å; W184-F279 HydrophobicContact CZ3-CB 4.13Å; W184-L281 HydrophobicContact CD2-CB 4.37Å; W184-L281 HydrophobicContact CD2-CD1 3.64Å; W184-L281 HydrophobicContact CE3-CB 3.85Å; W184-L281 HydrophobicContact CE3-CD1 4.01Å; W184-L281 HydrophobicContact CG-CD1 4.03Å; W184-L281 HydrophobicContact CH2-CB 3.86Å; W184-L281 HydrophobicContact CH2-CD1 4.33Å; W184-L281 HydrophobicContact CH2-CD2 4.26Å; W184-L281 HydrophobicContact CH2-CG 4.38Å; W184-L281 HydrophobicContact CZ2-CB 4.36Å; W184-L281 HydrophobicContact CZ2-CD1 3.97Å; W184-L281 HydrophobicContact CZ2-CD2 4.17Å; W184-L281 HydrophobicContact CZ2-CG 4.4Å; W184-L281 HydrophobicContact CZ3-CB 3.6Å; W184-L281 HydrophobicContact CZ3-CD1 4.35Å; W184-L281 HydrophobicContact CZ3-CG 4.45Å
185L98.7Very high94.7Very high0 Ų050.9 Ų50.90%027%0.271CS..EExtended strand (participates in β ladder)trans-114.7129.7172.3-58.2179.6000109M183 L199 D200 F279 R280 A282 I287 L290 F296M183-L185 HydrophobicContact CG-CD2 4.35Å; M183-L185 HydrophobicContact SD-CD2 4.22Å; L185-L199 HydrophobicContact CB-CD2 4.27Å; L185-L199 HydrophobicContact CD1-CD1 4.16Å; L185-D200 WeakPolarHBondContact CA-O 3.37Å; L185-D200 WeakPolarHBondContact CD2-O 3.5Å; L185-F279 WeakPolarHBondContact O-CA 3.45Å; L185-R280 PolarHBondContact N-O 3Å; L185-R280 PolarHBondContact O-N 3.44Å; L185-A282 HydrophobicContact CD1-CB 4.34Å; L185-I287 HydrophobicContact CD1-CD1 3.71Å; L185-I287 HydrophobicContact CD2-CD1 3.95Å; L185-I287 HydrophobicContact CG-CD1 4.03Å; L185-L290 HydrophobicContact CD1-CD1 3.98Å; L185-F296 HydrophobicContact CD1-CE2 3.91Å; L185-F296 HydrophobicContact CD1-CZ 4.36Å; L185-F296 HydrophobicContact CD2-CE2 4.1Å; L185-F296 HydrophobicContact CD2-CZ 3.71Å
186G98.6Very high95Very high1 Ų145.8 Ų45.81%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-84.3130.8171.700000110.7L199 D200 N201G186-L199 CarbonylContact O-C 3.5Å; G186-L199 WeakPolarHBondContact O-CA 3.37Å; G186-D200 PolarHBondContact N-O 2.8Å; G186-D200 PolarHBondContact O-N 3.02Å; G186-N201 PolarHBondContact N-O 2.91Å
187L98.4Very high95.2Very high54 Ų5445.8 Ų45.828%0.28326%0.26SS..EExtended strand (participates in β ladder)trans-84.3112.4165.4-173.667.8000108.2S189 G197 L199 D277 S278L187-S189 PolarHBondContact O-N 3.44Å; L187-G197 VanDerWaalsContact CD1-O 3.29Å; L187-G197 WeakPolarHBondContact CD1-O 3.39Å; L187-L199 HydrophobicContact CD1-CD2 4.2Å; L187-D277 PolarHBondContact O-N 3.27Å; L187-S278 WeakPolarHBondContact CB-O 3.07Å; L187-S278 PolarHBondContact N-O 3.36Å
188R98Very high95.4Very high15 Ų1544.4 Ų44.46%0.05725%0.251CS..EExtended strand (participates in β ladder)trans-62.5135.1-177.1-65.4169.564.477.33.8110.7K192 T194 S195 G197 M198 D200R188-K192 HydrophobicContact CB-CD 4.46Å; R188-K192 VanDerWaalsContact CZ-CD 3.42Å; R188-T194 PolarHBondContact NE-O 3.22Å; R188-T194 PolarHBondContact NH2-O 2.91Å; R188-S195 VanDerWaalsContact CD-O 3.26Å; R188-S195 WeakPolarHBondContact CD-O 3.5Å; R188-S195 PolarHBondContact NE-O 3.06Å; R188-G197 VanDerWaalsContact O-CA 3.26Å; R188-G197 WeakPolarHBondContact O-CA 3.3Å; R188-G197 PolarHBondContact O-N 3.18Å; R188-M198 WeakPolarHBondContact CB-O 3.34Å; R188-M198 VanDerWaalsContact CG-O 3.24Å; R188-M198 WeakPolarHBondContact CG-O 3.39Å; R188-M198 PolarHBondContact N-O 3.35Å; R188-D200 WeakPolarHBondContact CD-OD2 3.25Å; R188-D200 HydrophobicContact CG-CB 3.85Å; R188-D200 IonicContact CZ-OD2 3.2Å; R188-D200 IonicContact NE-OD2 2.6Å; R188-D200 IonicContact NH1-OD2 2.87Å; R188-D200 PolarHBondContact NH1-OD2 3.44Å
189S97.2Very high95.6Very high12 Ų1243.7 Ų43.78%0.08425%0.245CC..  trans-52.9142.3175176.50000112L187 N191 K192 G274 E275L187-S189 PolarHBondContact O-N 3.44Å; S189-N191 PolarHBondContact O-N 2.88Å; S189-N191 VanDerWaalsContact O-N 3.12Å; S189-N191 PolarHBondContact OG-N 3.12Å; S189-K192 PolarHBondContact O-N 2.99Å; S189-K192 VanDerWaalsContact O-N 3.09Å; S189-G274 WeakPolarHBondContact CB-O 3.35Å; S189-G274 PolarHBondContact OG-O 3.14Å; S189-E275 WeakPolarHBondContact CB-O 3.28Å; S189-E275 PolarHBondContact N-O 3.36Å
190I96.3Very high95.7Very high130 Ų13039.8 Ų39.867%0.66722%0.224SC*.THydrogen-bonded Turntrans-62.6-19.5177.5-159.767.7000112.1P196I190-P196 HydrophobicContact CD1-CB 4.28Å; I190-P196 WeakPolarHBondContact O-CB 3.37Å
191N92.3Very high95.8Very high139 Ų13937.4 Ų37.474%0.74321%0.212SC*.THydrogen-bonded Turntrans-85.5-8.6180-62.5-35000113.4S189S189-N191 PolarHBondContact O-N 2.88Å; S189-N191 VanDerWaalsContact O-N 3.12Å; S189-N191 PolarHBondContact OG-N 3.12Å
192K89.5Confident95.8Very high17 Ų1737.4 Ų37.47%0.07421%0.212CC..  trans-63.9134178-78.5-151.3-175.3-156.70110R188 S189 T194 E224 E275R188-K192 HydrophobicContact CB-CD 4.46Å; R188-K192 VanDerWaalsContact CZ-CD 3.42Å; S189-K192 PolarHBondContact O-N 2.99Å; S189-K192 VanDerWaalsContact O-N 3.09Å; K192-T194 PolarHBondContact O-N 2.63Å; K192-T194 VanDerWaalsContact O-N 3.1Å; K192-E224 IonicContact NZ-OE1 2.89Å; K192-E224 PolarHBondContact NZ-OE1 2.94Å; K192-E275 VanDerWaalsContact CE-C 3.5Å; K192-E275 WeakPolarHBondContact CE-O 3.42Å; K192-E275 WeakPolarHBondContact CE-OE2 3.3Å; K192-E275 IonicContact NZ-OE2 3.71Å; K192-E275 PolarHBondContact NZ-OE2 3.44Å
193P85.2Confident95.9Very high93 Ų9334.9 Ų34.960%0.60420%0.201SC*.SBendtrans-65.8-17.2-178.2-21.731.5000114.8
194T86.1Confident95.8Very high39 Ų3935.1 Ų35.124%0.23920%0.203CC..SBendtrans-130.8137.1179.354.90000110R188 K192 P196R188-T194 PolarHBondContact NE-O 3.22Å; R188-T194 PolarHBondContact NH2-O 2.91Å; K192-T194 PolarHBondContact O-N 2.63Å; K192-T194 VanDerWaalsContact O-N 3.1Å; T194-P196 VanDerWaalsContact C-CD 3.46Å
195S91.6Very high95.7Very high40 Ų4034.5 Ų34.528%0.2821%0.205SC..SBendtrans50.148.2177-57.40000114R188 M198R188-S195 VanDerWaalsContact CD-O 3.26Å; R188-S195 WeakPolarHBondContact CD-O 3.5Å; R188-S195 PolarHBondContact NE-O 3.06Å; S195-M198 WeakPolarHBondContact CB-SD 3.36Å
196P95.2Very high95.5Very high59 Ų5935.1 Ų35.138%0.38321%0.211SC..THydrogen-bonded Turntrans-65.5142.1178.229.9-35.6000111.1I190 T194 M198I190-P196 HydrophobicContact CD1-CB 4.28Å; I190-P196 WeakPolarHBondContact O-CB 3.37Å; T194-P196 VanDerWaalsContact C-CD 3.46Å; P196-M198 PolarHBondContact O-N 3.37Å
197G97.1Very high95.5Very high29 Ų2935.2 Ų35.230%0.29921%0.211SC..THydrogen-bonded Turntrans70.67.4179.200000115.5L187 R188L187-G197 VanDerWaalsContact CD1-O 3.29Å; L187-G197 WeakPolarHBondContact CD1-O 3.39Å; R188-G197 VanDerWaalsContact O-CA 3.26Å; R188-G197 WeakPolarHBondContact O-CA 3.3Å; R188-G197 PolarHBondContact O-N 3.18Å
198M98Very high95.3Very high53 Ų5334.4 Ų34.426%0.26121%0.208SC..  trans-90.5151.3177.1-65.4-175.2175.200111.5R188 S195 P196 H295 K297R188-M198 WeakPolarHBondContact CB-O 3.34Å; R188-M198 VanDerWaalsContact CG-O 3.24Å; R188-M198 WeakPolarHBondContact CG-O 3.39Å; R188-M198 PolarHBondContact N-O 3.35Å; S195-M198 WeakPolarHBondContact CB-SD 3.36Å; P196-M198 PolarHBondContact O-N 3.37Å; M198-H295 CarbonylContact C-O 3.58Å; M198-H295 WeakPolarHBondContact CA-O 3.33Å; M198-H295 VanDerWaalsContact CB-O 3.26Å; M198-H295 WeakPolarHBondContact CB-O 3.5Å; M198-K297 HydrophobicContact CB-CB 4.25Å
199L98.5Very high95.2Very high21 Ų2138.1 Ų38.111%0.1122%0.223CC..EExtended strand (participates in β ladder)trans-67.4137.4167.6-64172.8000110.5L185 G186 L187 L290 H295 F296 K297L185-L199 HydrophobicContact CB-CD2 4.27Å; L185-L199 HydrophobicContact CD1-CD1 4.16Å; G186-L199 CarbonylContact O-C 3.5Å; G186-L199 WeakPolarHBondContact O-CA 3.37Å; L187-L199 HydrophobicContact CD1-CD2 4.2Å; L199-L290 HydrophobicContact CD1-CD2 4.35Å; L199-H295 PolarHBondContact N-O 2.97Å; L199-F296 HydrophobicContact CB-CD1 4.31Å; L199-F296 HydrophobicContact CB-CD2 4.1Å; L199-F296 HydrophobicContact CB-CE2 4.4Å; L199-F296 HydrophobicContact CB-CG 4.07Å; L199-F296 HydrophobicContact CD1-CD2 4.16Å; L199-F296 WeakPolarHBondContact O-CD1 3.34Å; L199-K297 VanDerWaalsContact O-CB 3.26Å; L199-K297 WeakPolarHBondContact O-CB 3.26Å; L199-K297 PolarHBondContact O-N 2.79Å
200D98.6Very high94.9Very high3 Ų340.6 Ų40.62%0.01625%0.25CC..EExtended strand (participates in β ladder)trans-127.2175175.8-148.2-29.9000109.3H141 L185 G186 R188 K297 S300H141-D200 IonicContact CE1-OD1 2.77Å; H141-D200 IonicContact ND1-OD1 3.78Å; L185-D200 WeakPolarHBondContact CA-O 3.37Å; L185-D200 WeakPolarHBondContact CD2-O 3.5Å; G186-D200 PolarHBondContact N-O 2.8Å; G186-D200 PolarHBondContact O-N 3.02Å; R188-D200 WeakPolarHBondContact CD-OD2 3.25Å; R188-D200 HydrophobicContact CG-CB 3.85Å; R188-D200 IonicContact CZ-OD2 3.2Å; R188-D200 IonicContact NE-OD2 2.6Å; R188-D200 IonicContact NH1-OD2 2.87Å; R188-D200 PolarHBondContact NH1-OD2 3.44Å; D200-K297 IonicContact OD1-NZ 3.86Å; D200-K297 PolarHBondContact OD1-NZ 2.95Å; D200-K297 WeakPolarHBondContact OD2-CD 3.31Å; D200-K297 IonicContact OD2-NZ 3.53Å; D200-K297 PolarHBondContact OD2-NZ 3.26Å; D200-S300 VanDerWaalsContact CG-OG 3.27Å; D200-S300 VanDerWaalsContact OD1-CB 3.27Å; D200-S300 WeakPolarHBondContact OD1-CB 3.4Å; D200-S300 PolarHBondContact OD1-OG 3.32Å
201N98.8Very high94.8Very high1 Ų136.4 Ų36.41%0.00523%0.229CC..  trans-64.4176.7165.1-53.298.7000109.6H141 V142 N143 G186 A203 S300H141-N201 PolarHBondContact ND1-OD1 2.64Å; V142-N201 WeakPolarHBondContact O-CB 3.15Å; N143-N201 PolarHBondContact OD1-ND2 3.49Å; G186-N201 PolarHBondContact N-O 2.91Å; N201-A203 VanDerWaalsContact C-N 3.29Å; N201-A203 PolarHBondContact O-N 2.74Å; N201-S300 PolarHBondContact ND2-O 2.8Å; N201-S300 WeakPolarHBondContact OD1-CA 3.31Å; N201-S300 VanDerWaalsContact OD1-CB 3.23Å; N201-S300 WeakPolarHBondContact OD1-CB 3.43Å
202M98.7Very high95Very high0 Ų033.4 Ų33.40%021%0.213CC..SBendtrans-61-40.3-176.5-175.1-17366.600112.4V142 W184 A225 V227 L261 L263 F267 F279V142-M202 HydrophobicContact CG1-CE 4.31Å; V142-M202 PolarHBondContact O-N 3.21Å; V142-M202 VanDerWaalsContact O-N 3.14Å; W184-M202 HydrophobicContact CB-CB 3.94Å; W184-M202 HydrophobicContact CB-CG 3.8Å; W184-M202 HydrophobicContact CB-SD 4.05Å; W184-M202 HydrophobicContact CG-SD 4.35Å; W184-M202 PolarHBondContact O-N 2.61Å; M202-A225 HydrophobicContact CE-CB 4.37Å; M202-A225 HydrophobicContact CG-CB 3.91Å; M202-A225 HydrophobicContact SD-CB 4.2Å; M202-V227 HydrophobicContact CE-CG2 3.93Å; M202-L261 HydrophobicContact CE-CD2 4.14Å; M202-L263 HydrophobicContact CE-CD1 3.95Å; M202-L263 HydrophobicContact SD-CD1 3.4Å; M202-L263 WeakPolarHBondContact SD-CD1 3.1Å; M202-F267 HydrophobicContact SD-CE1 4.39Å; M202-F279 HydrophobicContact CG-CE1 3.98Å; M202-F279 WeakPolarHBondContact O-CE1 3.19Å
203A98.7Very high95.4Very high0 Ų033.4 Ų33.40%021%0.214CC..EExtended strand (participates in β ladder)trans-141.7139.9172.700000109.4V142 N201 E220 E224V142-A203 HydrophobicContact CB-CB 4.29Å; V142-A203 HydrophobicContact CG2-CB 4.35Å; V142-A203 PolarHBondContact N-O 2.74Å; N201-A203 VanDerWaalsContact C-N 3.29Å; N201-A203 PolarHBondContact O-N 2.74Å; A203-E220 HydrophobicContact CB-CB 4.2Å; A203-E224 VanDerWaalsContact CA-OE2 3.24Å; A203-E224 WeakPolarHBondContact CA-OE2 2.98Å; A203-E224 HydrophobicContact CB-CB 4.33Å
204A98.4Very high96Very high6 Ų632 Ų325%0.0520%0.2CC..EExtended strand (participates in β ladder)trans-157.7132.5176.500000113.1V140 H141 E224V140-A204 CarbonylContact O-C 3.58Å; V140-A204 WeakPolarHBondContact O-CA 3.5Å; H141-A204 HydrophobicContact CB-CB 4.46Å; A204-E224 PolarHBondContact N-OE2 3.04Å
205G95.9Very high96.6Very high13 Ų1335.6 Ų35.613%0.13421%0.214CC..EExtended strand (participates in β ladder)trans-140.9158.2-175.500000113.4G139 V140G139-G205 CarbonylContact C-O 3.05Å; G139-G205 VanDerWaalsContact CA-O 3.23Å; G139-G205 WeakPolarHBondContact CA-O 3.32Å; V140-G205 PolarHBondContact N-O 3.17Å; V140-G205 PolarHBondContact O-N 3.41Å
206G95.6Very high96.9Very high12 Ų1233.7 Ų33.712%0.12420%0.201CC..EExtended strand (participates in β ladder)trans-77.6136169.700000110.2Y111 T208Y111-G206 WeakPolarHBondContact OH-CA 3.18Å; G206-T208 PolarHBondContact O-N 3.1Å
207L97.2Very high97.1Very high4 Ų430.9 Ų30.92%0.02118%0.183CC..  trans-84.7102.7178.2-174.566.8000109.8R118 Y138 L211 V213 C216 Y257R118-L207 VanDerWaalsContact CZ-CD2 3.47Å; Y138-L207 PolarHBondContact O-N 3.25Å; L207-L211 HydrophobicContact CD1-CB 4.06Å; L207-L211 HydrophobicContact CD1-CD2 4.4Å; L207-L211 HydrophobicContact CD1-CG 4.24Å; L207-V213 HydrophobicContact CD2-CG2 3.94Å; L207-C216 HydrophobicContact CD1-CB 3.42Å; L207-C216 VanDerWaalsContact CD1-CB 3.42Å; L207-Y257 HydrophobicContact CD2-CD2 4.31Å; L207-Y257 HydrophobicContact CD2-CE2 3.91Å
208T95.2Very high97.1Very high36 Ų3632.1 Ų32.122%0.22118%0.178CC..  trans-73.3164.7-179.456.20000112.2E109 Y111 G206 G210 L211E109-T208 HydrophobicContact CB-CG2 4.03Å; E109-T208 HydrophobicContact CG-CG2 4.2Å; Y111-T208 HydrophobicContact CE1-CG2 4.29Å; G206-T208 PolarHBondContact O-N 3.1Å; T208-G210 PolarHBondContact O-N 3.13Å; T208-L211 PolarHBondContact O-N 2.85Å
209Y95.2Very high97.1Very high94 Ų9433.2 Ų33.237%0.36918%0.182SC..THydrogen-bonded Turntrans-55.7131.6176.9171.2-102.1000111.6D110 Y114 V121 R124 L211D110-Y209 WeakPolarHBondContact O-CB 3.42Å; D110-Y209 PolarHBondContact O-N 3.18Å; Y114-Y209 HydrophobicContact CE1-CD2 4.46Å; V121-Y209 HydrophobicContact CB-CE2 4.02Å; V121-Y209 HydrophobicContact CG1-CE2 3.9Å; V121-Y209 HydrophobicContact CG2-CD2 4.2Å; V121-Y209 HydrophobicContact CG2-CE2 3.79Å; R124-Y209 HydrophobicContact CG-CD1 4.19Å; R124-Y209 HydrophobicContact CG-CD2 3.95Å; R124-Y209 HydrophobicContact CG-CE1 4.36Å; R124-Y209 HydrophobicContact CG-CE2 4.13Å; R124-Y209 HydrophobicContact CG-CG 3.98Å; Y209-L211 VanDerWaalsContact C-N 3.27Å; Y209-L211 PolarHBondContact O-N 3.47Å
210G91.5Very high97.2Very high63 Ų6332.8 Ų32.865%0.64918%0.179SC*.THydrogen-bonded Turntrans80.2-5.8175.700000115.8Y114 T208Y114-G210 PolarHBondContact OH-N 3.08Å; T208-G210 PolarHBondContact O-N 3.13Å
211L94Very high97.2Very high42 Ų4232.6 Ų32.622%0.2218%0.178CC..  trans-85.1134.6177.7-166.758.6000111R118 L207 T208 Y209 E215 C216R118-L211 PolarHBondContact NH2-O 3.28Å; L207-L211 HydrophobicContact CD1-CB 4.06Å; L207-L211 HydrophobicContact CD1-CD2 4.4Å; L207-L211 HydrophobicContact CD1-CG 4.24Å; T208-L211 PolarHBondContact O-N 2.85Å; Y209-L211 VanDerWaalsContact C-N 3.27Å; Y209-L211 PolarHBondContact O-N 3.47Å; L211-E215 HydrophobicContact CD1-CB 3.94Å; L211-C216 HydrophobicContact CD2-CB 3.51Å; L211-C216 HydrophobicContact CG-CB 3.89Å
212D96.6Very high97.1Very high77 Ų7736.1 Ų36.141%0.41219%0.194SC..  trans-70150169.6172.464.8000111M214 E215 C216D212-M214 WeakPolarHBondContact OD2-CA 3.09Å; D212-M214 VanDerWaalsContact OD2-CB 3.26Å; D212-M214 WeakPolarHBondContact OD2-CB 3.45Å; D212-M214 PolarHBondContact OD2-N 2.9Å; D212-E215 HydrophobicContact CB-CB 4.03Å; D212-E215 HydrophobicContact CB-CG 3.87Å; D212-E215 WeakPolarHBondContact CB-OE2 3.38Å; D212-E215 PolarHBondContact O-N 2.86Å; D212-E215 PolarHBondContact OD2-N 3.09Å; D212-E215 VanDerWaalsContact OD2-N 3.11Å; D212-C216 WeakPolarHBondContact O-CB 3.46Å; D212-C216 PolarHBondContact O-N 3.49Å
213V97.9Very high97.1Very high16 Ų1639.3 Ų39.310%0.09721%0.21CC..Hα-helixtrans-64.3-44-176.6-172.10000111.2V140 L207 A217 Y257 F259V140-V213 HydrophobicContact CG1-CG1 3.91Å; L207-V213 HydrophobicContact CD2-CG2 3.94Å; V213-A217 PolarHBondContact O-N 2.77Å; V213-Y257 HydrophobicContact CB-CD2 4.48Å; V213-Y257 HydrophobicContact CG1-CD1 3.81Å; V213-Y257 HydrophobicContact CG1-CD2 3.52Å; V213-Y257 HydrophobicContact CG1-CE1 4.37Å; V213-Y257 HydrophobicContact CG1-CE2 4.12Å; V213-Y257 HydrophobicContact CG1-CG 3.33Å; V213-Y257 HydrophobicContact CG2-CD1 4.42Å; V213-Y257 HydrophobicContact CG2-CD2 4.05Å; V213-Y257 HydrophobicContact CG2-CE1 4.17Å; V213-Y257 HydrophobicContact CG2-CE2 3.77Å; V213-Y257 HydrophobicContact CG2-CG 4.36Å; V213-F259 HydrophobicContact CG1-CE2 3.82Å; V213-F259 HydrophobicContact CG1-CZ 3.73Å
214M98.1Very high97.1Very high64 Ų6439.4 Ų39.432%0.31521%0.21SC..Hα-helixtrans-70-42.1179.1-178.963.974.100110.6D212 C216 A217 R218 L235 F259D212-M214 WeakPolarHBondContact OD2-CA 3.09Å; D212-M214 VanDerWaalsContact OD2-CB 3.26Å; D212-M214 WeakPolarHBondContact OD2-CB 3.45Å; D212-M214 PolarHBondContact OD2-N 2.9Å; M214-C216 VanDerWaalsContact C-N 3.32Å; M214-C216 PolarHBondContact O-N 2.91Å; M214-A217 PolarHBondContact O-N 2.69Å; M214-R218 HydrophobicContact CG-CG 4.46Å; M214-R218 VanDerWaalsContact O-CG 3.28Å; M214-R218 WeakPolarHBondContact O-CG 3.02Å; M214-R218 PolarHBondContact O-N 2.74Å; M214-R218 HydrophobicContact SD-CG 4.41Å; M214-L235 HydrophobicContact SD-CB 4.5Å; M214-L235 HydrophobicContact SD-CD2 3.88Å; M214-L235 HydrophobicContact SD-CG 4.15Å; M214-F259 HydrophobicContact CE-CD1 4.46Å; M214-F259 HydrophobicContact CE-CE1 3.73Å; M214-F259 HydrophobicContact SD-CD1 4.5Å; M214-F259 HydrophobicContact SD-CE1 3.83Å
215E97.8Very high97.1Very high114 Ų11439.1 Ų39.153%0.53321%0.207SC..Hα-helixtrans-57.8-44.9175.1-68.7-178.6148.500111.8L211 D212 R218 K219L211-E215 HydrophobicContact CD1-CB 3.94Å; D212-E215 HydrophobicContact CB-CB 4.03Å; D212-E215 HydrophobicContact CB-CG 3.87Å; D212-E215 WeakPolarHBondContact CB-OE2 3.38Å; D212-E215 PolarHBondContact O-N 2.86Å; D212-E215 PolarHBondContact OD2-N 3.09Å; D212-E215 VanDerWaalsContact OD2-N 3.11Å; E215-R218 PolarHBondContact O-N 3.4Å; E215-K219 WeakPolarHBondContact O-CB 3.49Å; E215-K219 PolarHBondContact O-N 3.26Å
216C98.2Very high97.2Very high0 Ų040.5 Ų40.50%022%0.215CC..Hα-helixtrans-58.9-51.4174.5-168.50000111.3V140 L207 L211 D212 M214 R218 K219 E220V140-C216 HydrophobicContact CG1-CB 3.99Å; V140-C216 HydrophobicContact CG2-CB 4.24Å; V140-C216 VanDerWaalsContact CG2-SG 3.58Å; L207-C216 HydrophobicContact CD1-CB 3.42Å; L207-C216 VanDerWaalsContact CD1-CB 3.42Å; L211-C216 HydrophobicContact CD2-CB 3.51Å; L211-C216 HydrophobicContact CG-CB 3.89Å; D212-C216 WeakPolarHBondContact O-CB 3.46Å; D212-C216 PolarHBondContact O-N 3.49Å; M214-C216 VanDerWaalsContact C-N 3.32Å; M214-C216 PolarHBondContact O-N 2.91Å; C216-R218 VanDerWaalsContact C-N 3.28Å; C216-R218 PolarHBondContact O-N 3.21Å; C216-K219 WeakPolarHBondContact O-CB 3.27Å; C216-K219 PolarHBondContact O-N 3.29Å; C216-E220 WeakPolarHBondContact O-CG 3.33Å; C216-E220 PolarHBondContact O-N 3.36Å
217A98.7Very high97.4Very high0 Ų040 Ų400%021%0.21CC..Hα-helixtrans-61.4-36-178.400000112.8V140 V142 V213 M214 C221 L235 F259V140-A217 HydrophobicContact CB-CB 4.19Å; V140-A217 HydrophobicContact CG1-CB 4.39Å; V140-A217 HydrophobicContact CG2-CB 4.31Å; V142-A217 HydrophobicContact CG2-CB 4.32Å; V213-A217 PolarHBondContact O-N 2.77Å; M214-A217 PolarHBondContact O-N 2.69Å; A217-C221 PolarHBondContact O-N 3.44Å; A217-C221 VanDerWaalsContact O-N 3.1Å; A217-C221 PolarHBondContact O-SG 2.7Å; A217-L235 HydrophobicContact CB-CD2 3.86Å; A217-F259 HydrophobicContact CB-CD1 4.12Å; A217-F259 HydrophobicContact CB-CD2 3.75Å; A217-F259 HydrophobicContact CB-CE1 3.96Å; A217-F259 HydrophobicContact CB-CE2 3.58Å; A217-F259 HydrophobicContact CB-CG 4.02Å; A217-F259 HydrophobicContact CB-CZ 3.69Å
218R98.6Very high97.4Very high56 Ų5642 Ų4221%0.21122%0.223CC..Hα-helixtrans-65.9-47.5173.8-69.1177.989.477.40.4111.9M214 E215 C216 C221 Q222 E229 L232 L235M214-R218 HydrophobicContact CG-CG 4.46Å; M214-R218 VanDerWaalsContact O-CG 3.28Å; M214-R218 WeakPolarHBondContact O-CG 3.02Å; M214-R218 PolarHBondContact O-N 2.74Å; M214-R218 HydrophobicContact SD-CG 4.41Å; E215-R218 PolarHBondContact O-N 3.4Å; C216-R218 VanDerWaalsContact C-N 3.28Å; C216-R218 PolarHBondContact O-N 3.21Å; R218-C221 WeakPolarHBondContact O-CB 3.19Å; R218-C221 PolarHBondContact O-N 2.85Å; R218-Q222 WeakPolarHBondContact O-CG 3.2Å; R218-Q222 PolarHBondContact O-N 2.98Å; R218-Q222 VanDerWaalsContact O-N 3.07Å; R218-E229 IonicContact CZ-OE1 2.69Å; R218-E229 IonicContact NE-OE1 3.79Å; R218-E229 VanDerWaalsContact NH2-CD 3.26Å; R218-E229 IonicContact NH2-OE1 3.61Å; R218-E229 PolarHBondContact NH2-OE1 3.26Å; R218-E229 IonicContact NH2-OE2 2.81Å; R218-L232 HydrophobicContact CB-CD1 4.12Å; R218-L232 HydrophobicContact CG-CD1 4.3Å; R218-L232 VanDerWaalsContact CZ-CB 3.45Å; R218-L232 PolarHBondContact NH1-O 3.11Å; R218-L232 VanDerWaalsContact NH2-CB 3.33Å; R218-L235 HydrophobicContact CG-CD2 3.85Å
219K98.1Very high97.5Very high75 Ų7545.3 Ų45.333%0.32624%0.236SC..Hα-helixtrans-56-51.7176.6173.6-171.2161.3-65.20110.7E215 C216 C221 Q222 E223E215-K219 WeakPolarHBondContact O-CB 3.49Å; E215-K219 PolarHBondContact O-N 3.26Å; C216-K219 WeakPolarHBondContact O-CB 3.27Å; C216-K219 PolarHBondContact O-N 3.29Å; K219-C221 VanDerWaalsContact C-N 3.32Å; K219-C221 PolarHBondContact O-N 2.9Å; K219-Q222 WeakPolarHBondContact O-CB 3.49Å; K219-Q222 PolarHBondContact O-N 2.77Å; K219-E223 WeakPolarHBondContact CE-OE1 3.38Å; K219-E223 VanDerWaalsContact CE-OE2 3.28Å; K219-E223 WeakPolarHBondContact CE-OE2 3.24Å; K219-E223 HydrophobicContact CG-CG 4.32Å; K219-E223 WeakPolarHBondContact CG-OE1 3.43Å; K219-E223 IonicContact NZ-OE1 3.68Å; K219-E223 IonicContact NZ-OE2 2.76Å; K219-E223 PolarHBondContact NZ-OE2 2.99Å; K219-E223 PolarHBondContact O-N 3.16Å
220E98.6Very high97.6Very high12 Ų1248 Ų486%0.05625%0.251CS..Hα-helixtrans-62.7-38.1-179.4-60.3-54.3144.300111.9V140 A203 C216 Q222 E223 E224V140-E220 HydrophobicContact CG2-CG 3.92Å; A203-E220 HydrophobicContact CB-CB 4.2Å; C216-E220 WeakPolarHBondContact O-CG 3.33Å; C216-E220 PolarHBondContact O-N 3.36Å; E220-Q222 VanDerWaalsContact C-N 3.28Å; E220-Q222 PolarHBondContact O-N 3.08Å; E220-E223 PolarHBondContact O-N 3.14Å; E220-E224 WeakPolarHBondContact O-CB 3.37Å; E220-E224 PolarHBondContact O-N 3.16Å
221C98.8Very high97.9Very high0 Ų046.9 Ų46.90%023%0.23CC..Hα-helixtrans-61.7-35.8173.2-730000113.1A217 R218 K219 A225 S226 V227 L232A217-C221 PolarHBondContact O-N 3.44Å; A217-C221 VanDerWaalsContact O-N 3.1Å; A217-C221 PolarHBondContact O-SG 2.7Å; R218-C221 WeakPolarHBondContact O-CB 3.19Å; R218-C221 PolarHBondContact O-N 2.85Å; K219-C221 VanDerWaalsContact C-N 3.32Å; K219-C221 PolarHBondContact O-N 2.9Å; C221-A225 CarbonylContact O-C 3.55Å; C221-A225 WeakPolarHBondContact O-CB 3.37Å; C221-A225 PolarHBondContact O-N 3.33Å; C221-S226 PolarHBondContact O-N 3.44Å; C221-V227 HydrophobicContact CB-CB 4.01Å; C221-V227 HydrophobicContact CB-CG2 3.99Å; C221-V227 WeakPolarHBondContact O-CG2 3.22Å; C221-V227 PolarHBondContact O-N 2.81Å; C221-L232 HydrophobicContact CB-CD2 3.61Å
222Q98.5Very high98.1Very high74 Ų7444.9 Ų44.935%0.34622%0.22SC..Hα-helixtrans-75.6-44.6179.2-73.4172.5-23.100111.4R218 K219 E220 S226 V227 E229 L232R218-Q222 WeakPolarHBondContact O-CG 3.2Å; R218-Q222 PolarHBondContact O-N 2.98Å; R218-Q222 VanDerWaalsContact O-N 3.07Å; K219-Q222 WeakPolarHBondContact O-CB 3.49Å; K219-Q222 PolarHBondContact O-N 2.77Å; E220-Q222 VanDerWaalsContact C-N 3.28Å; E220-Q222 PolarHBondContact O-N 3.08Å; Q222-S226 WeakPolarHBondContact O-CA 3.15Å; Q222-S226 PolarHBondContact O-N 3Å; Q222-S226 VanDerWaalsContact O-N 3.08Å; Q222-V227 WeakPolarHBondContact CG-O 3.39Å; Q222-E229 PolarHBondContact NE2-OE2 3.01Å; Q222-L232 HydrophobicContact CG-CD1 3.89Å
223E98.2Very high98Very high68 Ų6844.6 Ų44.632%0.31824%0.235SC..Hα-helixtrans-74.6-50.1-176.7-69.5176.4174.100112.3K219 E220 S272 D273K219-E223 WeakPolarHBondContact CE-OE1 3.38Å; K219-E223 VanDerWaalsContact CE-OE2 3.28Å; K219-E223 WeakPolarHBondContact CE-OE2 3.24Å; K219-E223 HydrophobicContact CG-CG 4.32Å; K219-E223 WeakPolarHBondContact CG-OE1 3.43Å; K219-E223 IonicContact NZ-OE1 3.68Å; K219-E223 IonicContact NZ-OE2 2.76Å; K219-E223 PolarHBondContact NZ-OE2 2.99Å; K219-E223 PolarHBondContact O-N 3.16Å; E220-E223 PolarHBondContact O-N 3.14Å; E223-S272 WeakPolarHBondContact O-CA 3.47Å; E223-S272 WeakPolarHBondContact O-CB 3.28Å; E223-S272 PolarHBondContact O-N 2.9Å; E223-D273 HydrophobicContact CB-CB 4.34Å; E223-D273 PolarHBondContact O-N 3.29Å
224E98.5Very high97.8Very high1 Ų149 Ų491%0.00525%0.252CS..Hα-helixtrans-82.5-29.3-174.4-66.3-160.8138.400112.7K192 A203 A204 E220 S271 E275 V276 F279K192-E224 IonicContact NZ-OE1 2.89Å; K192-E224 PolarHBondContact NZ-OE1 2.94Å; A203-E224 VanDerWaalsContact CA-OE2 3.24Å; A203-E224 WeakPolarHBondContact CA-OE2 2.98Å; A203-E224 HydrophobicContact CB-CB 4.33Å; A204-E224 PolarHBondContact N-OE2 3.04Å; E220-E224 WeakPolarHBondContact O-CB 3.37Å; E220-E224 PolarHBondContact O-N 3.16Å; E224-S271 VanDerWaalsContact O-CA 3.23Å; E224-S271 WeakPolarHBondContact O-CA 3.14Å; E224-E275 HydrophobicContact CG-CB 4.42Å; E224-V276 HydrophobicContact CB-CG2 3.87Å; E224-V276 HydrophobicContact CG-CG2 4.18Å; E224-F279 WeakPolarHBondContact O-CE2 3.45Å; E224-F279 WeakPolarHBondContact O-CZ 3.23Å
225A98.5Very high97.8Very high0 Ų046.4 Ų46.40%024%0.24CC..Hα-helixtrans-127.50.6-171.200000115.1M202 C221 V227 P269 V270 F279M202-A225 HydrophobicContact CE-CB 4.37Å; M202-A225 HydrophobicContact CG-CB 3.91Å; M202-A225 HydrophobicContact SD-CB 4.2Å; C221-A225 CarbonylContact O-C 3.55Å; C221-A225 WeakPolarHBondContact O-CB 3.37Å; C221-A225 PolarHBondContact O-N 3.33Å; A225-V227 HydrophobicContact CB-CG2 4.02Å; A225-V227 PolarHBondContact O-N 2.82Å; A225-P269 HydrophobicContact CB-CB 3.9Å; A225-P269 WeakPolarHBondContact O-CA 3.47Å; A225-V270 CarbonylContact C-O 3.58Å; A225-V270 WeakPolarHBondContact CA-O 3.36Å; A225-V270 PolarHBondContact O-N 2.6Å; A225-F279 HydrophobicContact CB-CE1 4.39Å; A225-F279 HydrophobicContact CB-CZ 3.93Å
226S98.4Very high97.8Very high43 Ų4344.6 Ų44.630%0.30124%0.237SC..  trans52.734.3-178.9-570000113.7C221 Q222 P228 V270 S272C221-S226 PolarHBondContact O-N 3.44Å; Q222-S226 WeakPolarHBondContact O-CA 3.15Å; Q222-S226 PolarHBondContact O-N 3Å; Q222-S226 VanDerWaalsContact O-N 3.08Å; S226-P228 WeakPolarHBondContact O-CD 3.22Å; S226-V270 WeakPolarHBondContact CB-O 3.07Å; S226-V270 PolarHBondContact N-O 3.41Å; S226-V270 VanDerWaalsContact N-O 3.13Å; S226-V270 PolarHBondContact OG-O 2.81Å; S226-S272 PolarHBondContact OG-OG 3.21Å
227V98.6Very high97.9Very high2 Ų248.5 Ų48.51%0.01226%0.257CS..  trans-68.2120.7177.1-178.70000109.1M202 C221 Q222 A225 M231 L232 L261 L263 F267M202-V227 HydrophobicContact CE-CG2 3.93Å; C221-V227 HydrophobicContact CB-CB 4.01Å; C221-V227 HydrophobicContact CB-CG2 3.99Å; C221-V227 WeakPolarHBondContact O-CG2 3.22Å; C221-V227 PolarHBondContact O-N 2.81Å; Q222-V227 WeakPolarHBondContact CG-O 3.39Å; A225-V227 HydrophobicContact CB-CG2 4.02Å; A225-V227 PolarHBondContact O-N 2.82Å; V227-M231 HydrophobicContact CG1-CB 3.94Å; V227-L232 HydrophobicContact CB-CD2 4.06Å; V227-L232 HydrophobicContact CG1-CD2 3.55Å; V227-L232 HydrophobicContact CG1-CG 3.9Å; V227-L261 HydrophobicContact CG1-CD2 3.95Å; V227-L261 HydrophobicContact CG2-CD2 4.33Å; V227-L263 HydrophobicContact CG1-CD2 4.34Å; V227-F267 HydrophobicContact CB-CZ 4.39Å; V227-F267 HydrophobicContact CG2-CE1 4.28Å; V227-F267 HydrophobicContact CG2-CZ 3.73Å
228P97.8Very high97.8Very high45 Ų4550.7 Ų50.729%0.29227%0.27SS..  trans-72.6149.3-178.630.1-35.3000111.8S226 H230 M231S226-P228 WeakPolarHBondContact O-CD 3.22Å; P228-H230 WeakPolarHBondContact CG-CE1 3.46Å; P228-H230 PolarHBondContact O-N 3.28Å; P228-M231 HydrophobicContact CG-CB 4.44Å; P228-M231 HydrophobicContact CG-CE 3.74Å; P228-M231 HydrophobicContact CG-CG 3.91Å; P228-M231 HydrophobicContact CG-SD 3.8Å; P228-M231 PolarHBondContact O-N 3.06Å
229E97.4Very high97.8Very high106 Ų10650.1 Ų50.150%0.49527%0.272SS..THydrogen-bonded Turntrans-49.7-40.2-174.3-175.360.9-160.900114.3R218 Q222 M231 L232R218-E229 IonicContact CZ-OE1 2.69Å; R218-E229 IonicContact NE-OE1 3.79Å; R218-E229 VanDerWaalsContact NH2-CD 3.26Å; R218-E229 IonicContact NH2-OE1 3.61Å; R218-E229 PolarHBondContact NH2-OE1 3.26Å; R218-E229 IonicContact NH2-OE2 2.81Å; Q222-E229 PolarHBondContact NE2-OE2 3.01Å; E229-M231 PolarHBondContact O-N 3.41Å; E229-L232 PolarHBondContact O-N 3.39Å; E229-L232 VanDerWaalsContact O-N 3.14Å
230H96.5Very high97.8Very high149 Ų14949.7 Ų49.769%0.6927%0.271SS*.THydrogen-bonded Turntrans-66.6-19.5-178.972.4-89.6000114P228P228-H230 WeakPolarHBondContact CG-CE1 3.46Å; P228-H230 PolarHBondContact O-N 3.28Å
231M97.6Very high97.8Very high40 Ų4049.2 Ų49.220%0.19727%0.269CS..THydrogen-bonded Turntrans-86.9-26.1174.9-66-174.9-165.400112.2V227 P228 E229 G233 K234 L263 P264 F267V227-M231 HydrophobicContact CG1-CB 3.94Å; P228-M231 HydrophobicContact CG-CB 4.44Å; P228-M231 HydrophobicContact CG-CE 3.74Å; P228-M231 HydrophobicContact CG-CG 3.91Å; P228-M231 HydrophobicContact CG-SD 3.8Å; P228-M231 PolarHBondContact O-N 3.06Å; E229-M231 PolarHBondContact O-N 3.41Å; M231-G233 PolarHBondContact O-N 2.96Å; M231-G233 VanDerWaalsContact O-N 3.14Å; M231-K234 PolarHBondContact O-N 3.13Å; M231-L263 HydrophobicContact SD-CD2 4.23Å; M231-P264 HydrophobicContact CE-CG 4.18Å; M231-P264 HydrophobicContact SD-CG 4.22Å; M231-F267 HydrophobicContact CE-CD2 4.21Å; M231-F267 HydrophobicContact SD-CD2 3.89Å; M231-F267 HydrophobicContact SD-CE2 4.39Å; M231-F267 HydrophobicContact SD-CG 4.47Å
232L98.2Very high97.8Very high1 Ų150 Ų501%0.00527%0.274CS..G310 helixtrans-71.1-6-177.5-64.5174.4000113.7R218 C221 Q222 V227 E229 K234 L235 L261R218-L232 HydrophobicContact CB-CD1 4.12Å; R218-L232 HydrophobicContact CG-CD1 4.3Å; R218-L232 VanDerWaalsContact CZ-CB 3.45Å; R218-L232 PolarHBondContact NH1-O 3.11Å; R218-L232 VanDerWaalsContact NH2-CB 3.33Å; C221-L232 HydrophobicContact CB-CD2 3.61Å; Q222-L232 HydrophobicContact CG-CD1 3.89Å; V227-L232 HydrophobicContact CB-CD2 4.06Å; V227-L232 HydrophobicContact CG1-CD2 3.55Å; V227-L232 HydrophobicContact CG1-CG 3.9Å; E229-L232 PolarHBondContact O-N 3.39Å; E229-L232 VanDerWaalsContact O-N 3.14Å; L232-K234 PolarHBondContact O-N 3.47Å; L232-L235 HydrophobicContact CD2-CD2 4.4Å; L232-L235 WeakPolarHBondContact O-CB 3.49Å; L232-L235 PolarHBondContact O-N 3.14Å; L232-L261 HydrophobicContact CD2-CD2 4.1Å
233G95.1Very high97.7Very high71 Ų7146.7 Ų46.773%0.73226%0.258SS*.G310 helixtrans-64-15.7171.600000114.1M231M231-G233 PolarHBondContact O-N 2.96Å; M231-G233 VanDerWaalsContact O-N 3.14Å
234K94Very high97.7Very high107 Ų10743.7 Ų43.747%0.46524%0.244SC..G310 helixtrans-97.6-4.7176.2-63-178.2-177.4176.80113.8M231 L232 T236 L261M231-K234 PolarHBondContact O-N 3.13Å; L232-K234 PolarHBondContact O-N 3.47Å; K234-T236 PolarHBondContact O-N 2.49Å; K234-T236 PolarHBondContact O-OG1 2.77Å; K234-L261 HydrophobicContact CB-CD1 4.05Å
235L98.5Very high97.7Very high10 Ų1045 Ų455%0.05225%0.25CC..  trans-64.1119.2179.8-17665.9000109V142 M214 A217 R218 L232 F259 L261V142-L235 HydrophobicContact CG1-CD1 3.59Å; V142-L235 HydrophobicContact CG2-CD1 4.25Å; M214-L235 HydrophobicContact SD-CB 4.5Å; M214-L235 HydrophobicContact SD-CD2 3.88Å; M214-L235 HydrophobicContact SD-CG 4.15Å; A217-L235 HydrophobicContact CB-CD2 3.86Å; R218-L235 HydrophobicContact CG-CD2 3.85Å; L232-L235 HydrophobicContact CD2-CD2 4.4Å; L232-L235 WeakPolarHBondContact O-CB 3.49Å; L232-L235 PolarHBondContact O-N 3.14Å; L235-F259 HydrophobicContact CD1-CB 3.77Å; L235-F259 HydrophobicContact CD1-CD1 4.05Å; L235-F259 HydrophobicContact CD1-CG 4.22Å; L235-F259 HydrophobicContact CD2-CD1 4.39Å; L235-F259 HydrophobicContact CG-CB 4.48Å; L235-F259 HydrophobicContact CG-CD1 3.83Å; L235-F259 HydrophobicContact CG-CG 4.46Å; L235-L261 HydrophobicContact CB-CD1 4.2Å; L235-L261 HydrophobicContact CD1-CB 3.94Å
236T98.2Very high97.6Very high76 Ų7646.6 Ų46.647%0.46626%0.258SS..EExtended strand (participates in β ladder)trans-125.9127-171.8-55.30000110.3K234 V238 F259 D260K234-T236 PolarHBondContact O-N 2.49Å; K234-T236 PolarHBondContact O-OG1 2.77Å; T236-V238 HydrophobicContact CG2-CG1 4.11Å; T236-V238 PolarHBondContact O-N 3.31Å; T236-F259 VanDerWaalsContact C-CD1 3.47Å; T236-F259 CarbonylContact O-C 3.46Å; T236-F259 WeakPolarHBondContact O-CA 3.33Å; T236-F259 WeakPolarHBondContact O-CD1 3.33Å; T236-D260 PolarHBondContact N-O 3.36Å; T236-D260 PolarHBondContact O-N 3.17Å
237L98.5Very high97.4Very high82 Ų8246.6 Ų46.643%0.42925%0.254SS..EExtended strand (participates in β ladder)trans-69.9120.6167.9177.662.6000108.4Y257 C258 F259L237-Y257 HydrophobicContact CD1-CD1 4.08Å; L237-Y257 HydrophobicContact CD1-CG 4.43Å; L237-Y257 HydrophobicContact CD2-CD1 4.48Å; L237-C258 WeakPolarHBondContact CD1-O 3.34Å; L237-F259 HydrophobicContact CB-CD1 4.08Å; L237-F259 HydrophobicContact CB-CE1 3.64Å; L237-F259 HydrophobicContact CB-CZ 4.01Å; L237-F259 HydrophobicContact CD1-CD2 4.31Å; L237-F259 HydrophobicContact CD1-CE1 4.26Å; L237-F259 HydrophobicContact CD1-CE2 3.86Å; L237-F259 HydrophobicContact CD1-CZ 3.84Å; L237-F259 HydrophobicContact CG-CZ 4.42Å
238V98.4Very high97.1Very high46 Ų4652 Ų5228%0.27928%0.279SS..EExtended strand (participates in β ladder)trans-117.1-26.9-170.9-69.30000114T236 C258 D260 R310T236-V238 HydrophobicContact CG2-CG1 4.11Å; T236-V238 PolarHBondContact O-N 3.31Å; V238-C258 HydrophobicContact CG2-CB 4.15Å; V238-C258 WeakPolarHBondContact CG2-O 3.35Å; V238-C258 PolarHBondContact N-O 3.34Å; V238-D260 HydrophobicContact CG1-CB 4.01Å; V238-D260 HydrophobicContact CG2-CB 4.45Å; V238-R310 VanDerWaalsContact CG2-CZ 3.47Å
239N98Very high96.9Very high45 Ų4552.8 Ų52.824%0.24128%0.277CS..EExtended strand (participates in β ladder)trans-161.6170.1178.2-153.6-1.6000111.6C258 D306 H330N239-C258 HydrophobicContact CB-CB 4.26Å; N239-C258 PolarHBondContact N-O 3.36Å; N239-C258 PolarHBondContact O-N 3.35Å; N239-D306 PolarHBondContact ND2-OD1 2.94Å; N239-H330 PolarHBondContact ND2-CE1 2.6Å; N239-H330 PolarHBondContact OD1-CE1 3.29Å
240Q97.8Very high96.8Very high66 Ų6647.8 Ų47.831%0.30825%0.253SS..EExtended strand (participates in β ladder)trans-128.9120.6169.5-176.6-171.56100108.8I255 E256 Y257 H330Q240-I255 VanDerWaalsContact CD-CG2 3.46Å; Q240-I255 HydrophobicContact CG-CG2 3.51Å; Q240-E256 CarbonylContact C-O 3.34Å; Q240-E256 WeakPolarHBondContact CA-O 3.41Å; Q240-Y257 HydrophobicContact CG-CD1 4.35Å; Q240-Y257 HydrophobicContact CG-CE1 4.36Å; Q240-Y257 VanDerWaalsContact NE2-CE1 3.32Å; Q240-H330 PolarHBondContact O-CE1 2.84Å; Q240-H330 PolarHBondContact O-ND1 3.44Å
241I98.2Very high96.9Very high1 Ų140.7 Ų40.71%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-98.8134.9176.4-74.8168.1000108.8Y243 I255 E256 L302 V303 D306 M329I241-Y243 HydrophobicContact CG2-CD1 3.86Å; I241-Y243 HydrophobicContact CG2-CE1 4.3Å; I241-I255 CarbonylContact O-C 3.56Å; I241-I255 WeakPolarHBondContact O-CA 3.24Å; I241-E256 HydrophobicContact CB-CB 4.48Å; I241-E256 PolarHBondContact N-O 3.49Å; I241-E256 PolarHBondContact O-N 2.87Å; I241-L302 HydrophobicContact CD1-CB 4.19Å; I241-L302 HydrophobicContact CG2-CD1 4.2Å; I241-V303 HydrophobicContact CD1-CG2 4.17Å; I241-D306 HydrophobicContact CD1-CB 3.82Å; I241-M329 CarbonylContact C-O 3.57Å; I241-M329 WeakPolarHBondContact CA-O 3.36Å; I241-M329 HydrophobicContact CD1-CE 3.68Å; I241-M329 HydrophobicContact CG1-CE 4.17Å; I241-M329 WeakPolarHBondContact CG2-O 3.25Å
242S98.3Very high96.8Very high16 Ų1638.8 Ų38.811%0.11221%0.211CC..EExtended strand (participates in β ladder)trans-128.1132.1176.759.40000111.9Q254 M329 H330 V331S242-Q254 VanDerWaalsContact CA-O 3.3Å; S242-Q254 WeakPolarHBondContact CA-O 3.37Å; S242-M329 PolarHBondContact N-O 2.85Å; S242-M329 CarbonylContact O-C 2.95Å; S242-H330 VanDerWaalsContact OG-C 3.24Å; S242-H330 WeakPolarHBondContact OG-CA 3.34Å; S242-V331 WeakPolarHBondContact CB-O 3.18Å; S242-V331 WeakPolarHBondContact O-CB 3.49Å; S242-V331 PolarHBondContact O-N 2.73Å; S242-V331 PolarHBondContact OG-N 2.83Å; S242-V331 VanDerWaalsContact OG-N 3.1Å; S242-V331 PolarHBondContact OG-O 2.89Å
243Y98.1Very high96.8Very high6 Ų638.7 Ų38.72%0.02421%0.211CC..EExtended strand (participates in β ladder)trans-153.3165.2-178.161.7-85.7000111.1C17 N18 I241 F245 Q254 E256 N299 L302C17-Y243 HydrophobicContact CB-CD2 3.71Å; C17-Y243 HydrophobicContact CB-CE2 4.26Å; C17-Y243 HydrophobicContact CB-CG 3.98Å; C17-Y243 WeakPolarHBondContact O-CD2 3.25Å; N18-Y243 WeakPolarHBondContact OD1-CA 3.16Å; N18-Y243 WeakPolarHBondContact OD1-CB 3.36Å; I241-Y243 HydrophobicContact CG2-CD1 3.86Å; I241-Y243 HydrophobicContact CG2-CE1 4.3Å; Y243-F245 HydrophobicContact CD2-CD1 4.01Å; Y243-F245 AromaticContact CE2-CD1 3.78Å; Y243-F245 HydrophobicContact CE2-CD1 3.78Å; Y243-F245 AromaticContact CE2-CE1 3.92Å; Y243-F245 HydrophobicContact CE2-CE1 3.92Å; Y243-Q254 HydrophobicContact CD1-CB 4Å; Y243-Q254 HydrophobicContact CD2-CB 4.01Å; Y243-Q254 HydrophobicContact CD2-CG 4.18Å; Y243-Q254 HydrophobicContact CE1-CB 3.53Å; Y243-Q254 HydrophobicContact CE1-CG 4.28Å; Y243-Q254 HydrophobicContact CE2-CB 3.59Å; Y243-Q254 HydrophobicContact CE2-CG 3.5Å; Y243-Q254 VanDerWaalsContact CE2-CG 3.5Å; Y243-Q254 HydrophobicContact CG-CB 4.21Å; Y243-Q254 PolarHBondContact N-O 3.44Å; Y243-Q254 VanDerWaalsContact N-O 3.11Å; Y243-Q254 PolarHBondContact O-N 3.37Å; Y243-Q254 WeakPolarHBondContact OH-CB 3.39Å; Y243-Q254 WeakPolarHBondContact OH-CG 3.46Å; Y243-E256 HydrophobicContact CE1-CG 3.63Å; Y243-E256 PolarHBondContact OH-OE1 3.24Å; Y243-N299 HydrophobicContact CE1-CB 4.07Å; Y243-N299 WeakPolarHBondContact OH-CB 3.21Å; Y243-N299 PolarHBondContact OH-ND2 2.95Å; Y243-L302 HydrophobicContact CD1-CD1 4.26Å
244I98.1Very high97Very high4 Ų436.3 Ų36.32%0.02118%0.18CC..EExtended strand (participates in β ladder)trans-144.5119.3-180-174.3167.8000111.4C17 N18 F20 L21 F42 V251 P253 V331 L333C17-I244 CarbonylContact O-C 3.36Å; C17-I244 VanDerWaalsContact O-C 3.28Å; C17-I244 PolarHBondContact O-N 3.12Å; N18-I244 CarbonylContact C-O 3.54Å; N18-I244 VanDerWaalsContact CA-O 3.25Å; N18-I244 WeakPolarHBondContact CA-O 3.2Å; N18-I244 PolarHBondContact OD1-N 3.24Å; N18-I244 VanDerWaalsContact OD1-N 3.07Å; F20-I244 HydrophobicContact CB-CG1 4.15Å; F20-I244 HydrophobicContact CB-CG2 4.39Å; F20-I244 VanDerWaalsContact CB-O 3.31Å; F20-I244 WeakPolarHBondContact CB-O 3.38Å; F20-I244 HydrophobicContact CD1-CD1 3.46Å; F20-I244 VanDerWaalsContact CD1-CD1 3.46Å; F20-I244 HydrophobicContact CD1-CG1 3.65Å; F20-I244 HydrophobicContact CD1-CG2 4.12Å; F20-I244 HydrophobicContact CE1-CD1 3.65Å; F20-I244 HydrophobicContact CE1-CG1 4.31Å; F20-I244 HydrophobicContact CG-CD1 4.36Å; F20-I244 HydrophobicContact CG-CG1 4.12Å; L21-I244 HydrophobicContact CD2-CG2 3.72Å; L21-I244 HydrophobicContact CG-CG2 4.1Å; F42-I244 HydrophobicContact CD2-CD1 4.15Å; F42-I244 HydrophobicContact CE2-CD1 4.12Å; I244-V251 HydrophobicContact CD1-CG1 3.83Å; I244-V251 HydrophobicContact CG1-CG1 3.97Å; I244-P253 HydrophobicContact CB-CB 4.44Å; I244-P253 HydrophobicContact CD1-CB 3.98Å; I244-P253 HydrophobicContact CD1-CG 3.84Å; I244-P253 HydrophobicContact CG1-CB 4.1Å; I244-P253 HydrophobicContact CG1-CG 4.2Å; I244-V331 HydrophobicContact CG2-CG1 4.28Å; I244-L333 HydrophobicContact CB-CD2 3.91Å; I244-L333 HydrophobicContact CD1-CD2 4.47Å; I244-L333 HydrophobicContact CG2-CD2 4.25Å
245F97.1Very high97.2Very high28 Ų2832.2 Ų32.212%0.12316%0.163CC..EExtended strand (participates in β ladder)trans-124.2166.8176.772.2-83000111.2N19 Y243 D247 C252 Q254N19-F245 WeakPolarHBondContact OD1-CA 3.43Å; N19-F245 VanDerWaalsContact OD1-CB 3.27Å; N19-F245 WeakPolarHBondContact OD1-CB 3.46Å; Y243-F245 HydrophobicContact CD2-CD1 4.01Å; Y243-F245 AromaticContact CE2-CD1 3.78Å; Y243-F245 HydrophobicContact CE2-CD1 3.78Å; Y243-F245 AromaticContact CE2-CE1 3.92Å; Y243-F245 HydrophobicContact CE2-CE1 3.92Å; F245-D247 WeakPolarHBondContact CE2-OD2 3.48Å; F245-C252 HydrophobicContact CD1-CB 3.8Å; F245-C252 WeakPolarHBondContact CD1-O 3.33Å; F245-C252 HydrophobicContact CD2-CB 4.18Å; F245-C252 HydrophobicContact CE1-CB 3.39Å; F245-C252 HydrophobicContact CE2-CB 3.79Å; F245-C252 HydrophobicContact CG-CB 4.19Å; F245-C252 HydrophobicContact CZ-CB 3.38Å; F245-C252 PolarHBondContact N-O 3.28Å; F245-C252 PolarHBondContact O-N 3.29Å; F245-Q254 HydrophobicContact CE1-CG 4.07Å
246E96.4Very high97.2Very high35 Ų3532 Ų3216%0.16416%0.162CC..EExtended strand (participates in β ladder)trans-126.2149.416964.6178.7176.100111N19 F20 S25 S26 G250N19-E246 PolarHBondContact ND2-O 3Å; N19-E246 PolarHBondContact OD1-N 2.68Å; N19-E246 PolarHBondContact OD1-O 3.46Å; F20-E246 HydrophobicContact CD2-CB 4.04Å; F20-E246 HydrophobicContact CD2-CG 4.17Å; S25-E246 WeakPolarHBondContact CA-OE1 3.43Å; S25-E246 WeakPolarHBondContact CB-OE1 3.34Å; S26-E246 WeakPolarHBondContact CB-OE2 3.48Å; S26-E246 PolarHBondContact N-OE1 3.16Å; S26-E246 PolarHBondContact N-OE2 2.97Å; S26-E246 PolarHBondContact OG-OE2 3.49Å; E246-G250 VanDerWaalsContact CA-O 3.32Å; E246-G250 WeakPolarHBondContact CA-O 3.19Å
247D94.2Very high97.2Very high43 Ų4329.3 Ų29.323%0.2314%0.143CC..EExtended strand (participates in β ladder)trans-148.8-167.9169.566.125.4000110F245 R249 G250F245-D247 WeakPolarHBondContact CE2-OD2 3.48Å; D247-R249 PolarHBondContact O-N 3.43Å; D247-R249 WeakPolarHBondContact OD1-CA 3.48Å; D247-R249 WeakPolarHBondContact OD1-CB 3.23Å; D247-R249 WeakPolarHBondContact OD1-CG 3.4Å; D247-R249 PolarHBondContact OD1-N 2.92Å; D247-R249 IonicContact OD1-NE 2.7Å; D247-R249 PolarHBondContact OD1-NE 3.35Å; D247-R249 IonicContact OD2-CZ 2.65Å; D247-R249 IonicContact OD2-NE 3.9Å; D247-R249 PolarHBondContact OD2-NE 3.43Å; D247-R249 IonicContact OD2-NH2 3.57Å; D247-R249 PolarHBondContact OD2-NH2 2.85Å; D247-G250 PolarHBondContact N-O 2.87Å; D247-G250 VanDerWaalsContact N-O 3.08Å; D247-G250 PolarHBondContact O-N 2.69Å
248E92.9Very high97.2Very high114 Ų11425.4 Ų25.453%0.53312%0.123SC..THydrogen-bonded Turntrans-65.4-9.7-178.475.8-89.3-151.500114.5K101K101-E248 HydrophobicContact CD-CG 3.98Å; K101-E248 IonicContact NZ-OE1 3.87Å
249R94.1Very high97.2Very high63 Ų6323.3 Ų23.324%0.23811%0.11CC..THydrogen-bonded Turntrans-89.1-12.1175.7-52.2172.9-71.2-177.5-2.8112.1A102 S131 D247A102-R249 HydrophobicContact CB-CB 3.81Å; A102-R249 HydrophobicContact CB-CG 4.35Å; S131-R249 CarbonylContact C-O 3.28Å; S131-R249 VanDerWaalsContact CB-O 3.27Å; S131-R249 WeakPolarHBondContact CB-O 3.27Å; S131-R249 WeakPolarHBondContact OG-CB 3.43Å; S131-R249 PolarHBondContact OG-O 3.16Å; D247-R249 PolarHBondContact O-N 3.43Å; D247-R249 WeakPolarHBondContact OD1-CA 3.48Å; D247-R249 WeakPolarHBondContact OD1-CB 3.23Å; D247-R249 WeakPolarHBondContact OD1-CG 3.4Å; D247-R249 PolarHBondContact OD1-N 2.92Å; D247-R249 IonicContact OD1-NE 2.7Å; D247-R249 PolarHBondContact OD1-NE 3.35Å; D247-R249 IonicContact OD2-CZ 2.65Å; D247-R249 IonicContact OD2-NE 3.9Å; D247-R249 PolarHBondContact OD2-NE 3.43Å; D247-R249 IonicContact OD2-NH2 3.57Å; D247-R249 PolarHBondContact OD2-NH2 2.85Å
250G95.6Very high97.3Very high0 Ų021.7 Ų21.70%010%0.101CC..EExtended strand (participates in β ladder)trans118.7-153.6179.400000113.3S131 E246 D247S131-G250 CarbonylContact O-C 3.55Å; S131-G250 WeakPolarHBondContact O-CA 3.41Å; E246-G250 VanDerWaalsContact CA-O 3.32Å; E246-G250 WeakPolarHBondContact CA-O 3.19Å; D247-G250 PolarHBondContact N-O 2.87Å; D247-G250 VanDerWaalsContact N-O 3.08Å; D247-G250 PolarHBondContact O-N 2.69Å
251V97.4Very high97.3Very high0 Ų018.5 Ų18.50%09%0.087CC..EExtended strand (participates in β ladder)trans-91135.3-178.5-175.20000108.9F20 F42 S131 G134 I244 P253F20-V251 HydrophobicContact CD1-CG1 4.34Å; F20-V251 HydrophobicContact CD2-CG1 4.18Å; F20-V251 HydrophobicContact CD2-CG2 4.25Å; F20-V251 HydrophobicContact CE1-CG1 4.11Å; F20-V251 HydrophobicContact CE2-CB 4.48Å; F20-V251 HydrophobicContact CE2-CG1 3.95Å; F20-V251 HydrophobicContact CE2-CG2 3.63Å; F20-V251 HydrophobicContact CG-CG1 4.35Å; F20-V251 HydrophobicContact CZ-CG1 3.9Å; F20-V251 HydrophobicContact CZ-CG2 4.06Å; F42-V251 HydrophobicContact CB-CB 4.05Å; F42-V251 HydrophobicContact CB-CG1 4.04Å; F42-V251 HydrophobicContact CB-CG2 3.98Å; F42-V251 HydrophobicContact CD2-CG1 4.28Å; S131-V251 VanDerWaalsContact CA-O 3.26Å; S131-V251 WeakPolarHBondContact CA-O 3.37Å; S131-V251 PolarHBondContact O-N 2.93Å; G134-V251 WeakPolarHBondContact CA-O 3.23Å; I244-V251 HydrophobicContact CD1-CG1 3.83Å; I244-V251 HydrophobicContact CG1-CG1 3.97Å; V251-P253 HydrophobicContact CG1-CG 4.5Å
252C96.9Very high97.2Very high0 Ų019.9 Ų19.90%09%0.093CC..EExtended strand (participates in β ladder)trans-129.681.7-173.6-62.90000110.4S131 F245S131-C252 WeakPolarHBondContact CB-SG 3.26Å; F245-C252 HydrophobicContact CD1-CB 3.8Å; F245-C252 WeakPolarHBondContact CD1-O 3.33Å; F245-C252 HydrophobicContact CD2-CB 4.18Å; F245-C252 HydrophobicContact CE1-CB 3.39Å; F245-C252 HydrophobicContact CE2-CB 3.79Å; F245-C252 HydrophobicContact CG-CB 4.19Å; F245-C252 HydrophobicContact CZ-CB 3.38Å; F245-C252 PolarHBondContact N-O 3.28Å; F245-C252 PolarHBondContact O-N 3.29Å
253P98.2Very high97.2Very high0 Ų019.1 Ų19.10%09%0.088CC..EExtended strand (participates in β ladder)trans-71.7138.9165.8-2.219.4000110G134 R137 I244 V251 L333 F335G134-P253 VanDerWaalsContact O-CG 3.31Å; G134-P253 WeakPolarHBondContact O-CG 3.32Å; R137-P253 PolarHBondContact N-O 2.89Å; I244-P253 HydrophobicContact CB-CB 4.44Å; I244-P253 HydrophobicContact CD1-CB 3.98Å; I244-P253 HydrophobicContact CD1-CG 3.84Å; I244-P253 HydrophobicContact CG1-CB 4.1Å; I244-P253 HydrophobicContact CG1-CG 4.2Å; V251-P253 HydrophobicContact CG1-CG 4.5Å; P253-L333 HydrophobicContact CB-CD1 3.9Å; P253-L333 HydrophobicContact CB-CD2 4.04Å; P253-F335 HydrophobicContact CB-CE2 3.53Å; P253-F335 HydrophobicContact CB-CZ 4.03Å; P253-F335 HydrophobicContact CG-CE2 3.5Å; P253-F335 HydrophobicContact CG-CZ 3.5Å
254Q97.7Very high97.1Very high21 Ų2119.9 Ų19.910%0.0989%0.093CC..EExtended strand (participates in β ladder)trans-136.7139.5-171.6-63.9-82.22.900110.4R137 S242 Y243 F245R137-Q254 VanDerWaalsContact CB-OE1 3.24Å; R137-Q254 CarbonylContact O-C 3.42Å; R137-Q254 WeakPolarHBondContact O-CA 3.4Å; S242-Q254 VanDerWaalsContact CA-O 3.3Å; S242-Q254 WeakPolarHBondContact CA-O 3.37Å; Y243-Q254 HydrophobicContact CD1-CB 4Å; Y243-Q254 HydrophobicContact CD2-CB 4.01Å; Y243-Q254 HydrophobicContact CD2-CG 4.18Å; Y243-Q254 HydrophobicContact CE1-CB 3.53Å; Y243-Q254 HydrophobicContact CE1-CG 4.28Å; Y243-Q254 HydrophobicContact CE2-CB 3.59Å; Y243-Q254 HydrophobicContact CE2-CG 3.5Å; Y243-Q254 VanDerWaalsContact CE2-CG 3.5Å; Y243-Q254 HydrophobicContact CG-CB 4.21Å; Y243-Q254 PolarHBondContact N-O 3.44Å; Y243-Q254 VanDerWaalsContact N-O 3.11Å; Y243-Q254 PolarHBondContact O-N 3.37Å; Y243-Q254 WeakPolarHBondContact OH-CB 3.39Å; Y243-Q254 WeakPolarHBondContact OH-CG 3.46Å; F245-Q254 HydrophobicContact CE1-CG 4.07Å
255I98Very high96.8Very high20 Ų2021.5 Ų21.510%0.10310%0.104CC..EExtended strand (participates in β ladder)trans-127.3112.5169.3-68.9-177.4000107.5T136 R137 Y138 G139 Q240 I241 Y257 L333T136-I255 HydrophobicContact CG2-CB 4.34Å; T136-I255 HydrophobicContact CG2-CD1 3.75Å; T136-I255 HydrophobicContact CG2-CG1 3.78Å; R137-I255 PolarHBondContact O-N 3Å; Y138-I255 CarbonylContact C-O 3.55Å; Y138-I255 VanDerWaalsContact CA-O 3.26Å; Y138-I255 WeakPolarHBondContact CA-O 3.26Å; Y138-I255 HydrophobicContact CD1-CB 3.67Å; Y138-I255 HydrophobicContact CD1-CD1 4.37Å; Y138-I255 HydrophobicContact CD1-CG2 3.71Å; Y138-I255 HydrophobicContact CE1-CB 3.86Å; Y138-I255 HydrophobicContact CE1-CD1 3.63Å; Y138-I255 HydrophobicContact CE1-CG1 4.24Å; Y138-I255 HydrophobicContact CE1-CG2 3.92Å; G139-I255 PolarHBondContact N-O 2.77Å; Q240-I255 VanDerWaalsContact CD-CG2 3.46Å; Q240-I255 HydrophobicContact CG-CG2 3.51Å; I241-I255 CarbonylContact O-C 3.56Å; I241-I255 WeakPolarHBondContact O-CA 3.24Å; I255-Y257 HydrophobicContact CG2-CE2 4.33Å; I255-L333 HydrophobicContact CD1-CD1 4.18Å; I255-L333 HydrophobicContact CG1-CD1 3.96Å
256E98.5Very high96.7Very high5 Ų525.8 Ų25.82%0.02313%0.128CC..EExtended strand (participates in β ladder)trans-108.5119.3-178.2-50.6-71.1-171.100109.6G139 H141 Q240 I241 Y243 N299G139-E256 VanDerWaalsContact CA-OE2 3.3Å; G139-E256 WeakPolarHBondContact CA-OE2 3.28Å; H141-E256 IonicContact CD2-OE2 3.82Å; H141-E256 PolarHBondContact CD2-OE2 3.23Å; H141-E256 IonicContact NE2-OE2 3.96Å; Q240-E256 CarbonylContact C-O 3.34Å; Q240-E256 WeakPolarHBondContact CA-O 3.41Å; I241-E256 HydrophobicContact CB-CB 4.48Å; I241-E256 PolarHBondContact N-O 3.49Å; I241-E256 PolarHBondContact O-N 2.87Å; Y243-E256 HydrophobicContact CE1-CG 3.63Å; Y243-E256 PolarHBondContact OH-OE1 3.24Å; E256-N299 PolarHBondContact OE1-ND2 3.15Å
257Y98.7Very high96.8Very high21 Ų2125.1 Ų25.18%0.08213%0.125CC..EExtended strand (participates in β ladder)trans-82.3116.7172.3-63.7-82000109.5Y138 G139 V140 H141 L207 V213 L237 Q240 I255Y138-Y257 AromaticContact CD1-CE2 3.87Å; Y138-Y257 HydrophobicContact CD1-CE2 3.87Å; G139-Y257 WeakPolarHBondContact O-CD2 3.43Å; G139-Y257 PolarHBondContact O-N 2.94Å; V140-Y257 WeakPolarHBondContact CA-O 3.48Å; H141-Y257 PolarHBondContact N-O 3.36Å; L207-Y257 HydrophobicContact CD2-CD2 4.31Å; L207-Y257 HydrophobicContact CD2-CE2 3.91Å; V213-Y257 HydrophobicContact CB-CD2 4.48Å; V213-Y257 HydrophobicContact CG1-CD1 3.81Å; V213-Y257 HydrophobicContact CG1-CD2 3.52Å; V213-Y257 HydrophobicContact CG1-CE1 4.37Å; V213-Y257 HydrophobicContact CG1-CE2 4.12Å; V213-Y257 HydrophobicContact CG1-CG 3.33Å; V213-Y257 HydrophobicContact CG2-CD1 4.42Å; V213-Y257 HydrophobicContact CG2-CD2 4.05Å; V213-Y257 HydrophobicContact CG2-CE1 4.17Å; V213-Y257 HydrophobicContact CG2-CE2 3.77Å; V213-Y257 HydrophobicContact CG2-CG 4.36Å; L237-Y257 HydrophobicContact CD1-CD1 4.08Å; L237-Y257 HydrophobicContact CD1-CG 4.43Å; L237-Y257 HydrophobicContact CD2-CD1 4.48Å; Q240-Y257 HydrophobicContact CG-CD1 4.35Å; Q240-Y257 HydrophobicContact CG-CE1 4.36Å; Q240-Y257 VanDerWaalsContact NE2-CE1 3.32Å; I255-Y257 HydrophobicContact CG2-CE2 4.33Å
258C98.8Very high96.9Very high0 Ų029.1 Ų29.10%015%0.145CC..EExtended strand (participates in β ladder)trans-93.6128.3-176.4-51.90000110L237 V238 N239 V303L237-C258 WeakPolarHBondContact CD1-O 3.34Å; V238-C258 HydrophobicContact CG2-CB 4.15Å; V238-C258 WeakPolarHBondContact CG2-O 3.35Å; V238-C258 PolarHBondContact N-O 3.34Å; N239-C258 HydrophobicContact CB-CB 4.26Å; N239-C258 PolarHBondContact N-O 3.36Å; N239-C258 PolarHBondContact O-N 3.35Å; C258-V303 HydrophobicContact CB-CG1 4.24Å
259F98.9Very high97.2Very high1 Ų124 Ų240%0.00412%0.121CC..EExtended strand (participates in β ladder)trans-118.7146.9176.5-69.1-99.5000111V140 H141 V142 N143 V213 M214 A217 L235 T236 L237V140-F259 HydrophobicContact CB-CD2 4.44Å; V140-F259 HydrophobicContact CB-CE2 4.19Å; V140-F259 HydrophobicContact CG1-CE2 4.06Å; H141-F259 PolarHBondContact O-N 2.96Å; V142-F259 WeakPolarHBondContact CA-O 3.4Å; V142-F259 HydrophobicContact CB-CB 4.39Å; V142-F259 HydrophobicContact CG1-CB 4.24Å; V142-F259 HydrophobicContact CG2-CB 4.05Å; N143-F259 PolarHBondContact N-O 3.02Å; V213-F259 HydrophobicContact CG1-CE2 3.82Å; V213-F259 HydrophobicContact CG1-CZ 3.73Å; M214-F259 HydrophobicContact CE-CD1 4.46Å; M214-F259 HydrophobicContact CE-CE1 3.73Å; M214-F259 HydrophobicContact SD-CD1 4.5Å; M214-F259 HydrophobicContact SD-CE1 3.83Å; A217-F259 HydrophobicContact CB-CD1 4.12Å; A217-F259 HydrophobicContact CB-CD2 3.75Å; A217-F259 HydrophobicContact CB-CE1 3.96Å; A217-F259 HydrophobicContact CB-CE2 3.58Å; A217-F259 HydrophobicContact CB-CG 4.02Å; A217-F259 HydrophobicContact CB-CZ 3.69Å; L235-F259 HydrophobicContact CD1-CB 3.77Å; L235-F259 HydrophobicContact CD1-CD1 4.05Å; L235-F259 HydrophobicContact CD1-CG 4.22Å; L235-F259 HydrophobicContact CD2-CD1 4.39Å; L235-F259 HydrophobicContact CG-CB 4.48Å; L235-F259 HydrophobicContact CG-CD1 3.83Å; L235-F259 HydrophobicContact CG-CG 4.46Å; T236-F259 VanDerWaalsContact C-CD1 3.47Å; T236-F259 CarbonylContact O-C 3.46Å; T236-F259 WeakPolarHBondContact O-CA 3.33Å; T236-F259 WeakPolarHBondContact O-CD1 3.33Å; L237-F259 HydrophobicContact CB-CD1 4.08Å; L237-F259 HydrophobicContact CB-CE1 3.64Å; L237-F259 HydrophobicContact CB-CZ 4.01Å; L237-F259 HydrophobicContact CD1-CD2 4.31Å; L237-F259 HydrophobicContact CD1-CE1 4.26Å; L237-F259 HydrophobicContact CD1-CE2 3.86Å; L237-F259 HydrophobicContact CD1-CZ 3.84Å; L237-F259 HydrophobicContact CG-CZ 4.42Å
260D98.7Very high97.4Very high11 Ų1125.2 Ų25.26%0.05914%0.136CC..EExtended strand (participates in β ladder)trans-111.9138.9168.2-74.40.3000108.9N143 F145 T236 V238 F307 R310 H311N143-D260 PolarHBondContact ND2-OD1 3.16Å; F145-D260 HydrophobicContact CE1-CB 4.07Å; T236-D260 PolarHBondContact N-O 3.36Å; T236-D260 PolarHBondContact O-N 3.17Å; V238-D260 HydrophobicContact CG1-CB 4.01Å; V238-D260 HydrophobicContact CG2-CB 4.45Å; D260-F307 WeakPolarHBondContact OD1-CD2 3.26Å; D260-R310 IonicContact OD1-CZ 2.88Å; D260-R310 IonicContact OD1-NH1 2.61Å; D260-R310 IonicContact OD1-NH2 2.63Å; D260-R310 PolarHBondContact OD1-NH2 2.95Å; D260-R310 IonicContact OD2-CZ 3.44Å; D260-R310 IonicContact OD2-NH1 2.64Å; D260-R310 PolarHBondContact OD2-NH1 3.17Å; D260-R310 IonicContact OD2-NH2 3.13Å; D260-R310 PolarHBondContact OD2-NH2 3.16Å; D260-H311 IonicContact OD2-CD2 3.43Å; D260-H311 IonicContact OD2-CE1 3.52Å; D260-H311 IonicContact OD2-NE2 3.59Å; D260-H311 PolarHBondContact OD2-NE2 2.98Å
261L98.5Very high97.5Very high0 Ų026.6 Ų26.60%015%0.146CC..EExtended strand (participates in β ladder)trans-136110173.8-179.961.9000110.5V142 N143 G144 F145 M202 V227 L232 K234 L235 L263V142-L261 HydrophobicContact CG1-CB 3.9Å; N143-L261 PolarHBondContact O-N 2.86Å; G144-L261 WeakPolarHBondContact CA-O 3.34Å; F145-L261 WeakPolarHBondContact CD1-O 3.5Å; F145-L261 PolarHBondContact N-O 3.49Å; M202-L261 HydrophobicContact CE-CD2 4.14Å; V227-L261 HydrophobicContact CG1-CD2 3.95Å; V227-L261 HydrophobicContact CG2-CD2 4.33Å; L232-L261 HydrophobicContact CD2-CD2 4.1Å; K234-L261 HydrophobicContact CB-CD1 4.05Å; L235-L261 HydrophobicContact CB-CD1 4.2Å; L235-L261 HydrophobicContact CD1-CB 3.94Å; L261-L263 HydrophobicContact CD2-CD2 3.92Å; L261-L263 HydrophobicContact CD2-CG 4.34Å; L261-L263 HydrophobicContact CG-CD2 4.11Å; L261-L263 HydrophobicContact CG-CG 4.16Å; L261-L263 PolarHBondContact O-N 2.69Å
262E97Very high97.4Very high30 Ų3030.9 Ų30.914%0.1418%0.175CC..EExtended strand (participates in β ladder)trans-79.1116.3173.4-170.7175.4-177.300110.9F145 K155F145-E262 HydrophobicContact CD2-CG 4.43Å; F145-E262 HydrophobicContact CE1-CB 3.92Å; F145-E262 HydrophobicContact CE2-CB 3.9Å; F145-E262 HydrophobicContact CE2-CG 3.78Å; F145-E262 HydrophobicContact CZ-CB 3.51Å; F145-E262 HydrophobicContact CZ-CG 3.94Å; F145-E262 CarbonylContact O-C 3.55Å; F145-E262 WeakPolarHBondContact O-CA 3.37Å; K155-E262 IonicContact NZ-OE1 2.74Å; K155-E262 PolarHBondContact NZ-OE1 3.42Å; K155-E262 IonicContact NZ-OE2 2.81Å; K155-E262 PolarHBondContact NZ-OE2 2.84Å
263L97.3Very high97.4Very high0 Ų033.7 Ų33.70%019%0.19CC..PPolyproline II helixtrans-103.4150.9-177.3-67.8159.4000111.4F145 S146 M202 V227 M231 L261 F267F145-L263 PolarHBondContact O-N 2.92Å; S146-L263 WeakPolarHBondContact CB-O 3.21Å; M202-L263 HydrophobicContact CE-CD1 3.95Å; M202-L263 HydrophobicContact SD-CD1 3.4Å; M202-L263 WeakPolarHBondContact SD-CD1 3.1Å; V227-L263 HydrophobicContact CG1-CD2 4.34Å; M231-L263 HydrophobicContact SD-CD2 4.23Å; L261-L263 HydrophobicContact CD2-CD2 3.92Å; L261-L263 HydrophobicContact CD2-CG 4.34Å; L261-L263 HydrophobicContact CG-CD2 4.11Å; L261-L263 HydrophobicContact CG-CG 4.16Å; L261-L263 PolarHBondContact O-N 2.69Å; L263-F267 HydrophobicContact CB-CB 4.38Å; L263-F267 HydrophobicContact CB-CD1 4.15Å; L263-F267 HydrophobicContact CB-CG 4.49Å; L263-F267 HydrophobicContact CD1-CD1 3.72Å; L263-F267 HydrophobicContact CD1-CE1 3.8Å; L263-F267 HydrophobicContact CD2-CD1 3.83Å; L263-F267 HydrophobicContact CD2-CE1 3.98Å; L263-F267 HydrophobicContact CD2-CG 4.12Å; L263-F267 HydrophobicContact CD2-CZ 4.44Å; L263-F267 HydrophobicContact CG-CD1 4.1Å; L263-F267 HydrophobicContact CG-CE1 4.43Å
264P95.4Very high97.2Very high21 Ų2136 Ų3614%0.13621%0.214CC..PPolyproline II helixtrans-57145.5168.7-23.935000111.9M231 D266 F267M231-P264 HydrophobicContact CE-CG 4.18Å; M231-P264 HydrophobicContact SD-CG 4.22Å; P264-D266 WeakPolarHBondContact CB-OD1 3.4Å; P264-D266 PolarHBondContact O-N 2.99Å; P264-D266 VanDerWaalsContact O-N 3.12Å; P264-F267 HydrophobicContact CB-CB 4.42Å; P264-F267 WeakPolarHBondContact O-CB 3.34Å; P264-F267 PolarHBondContact O-N 3.09Å
265P93.7Very high97.1Very high39 Ų3938.9 Ų38.925%0.25323%0.227SC..THydrogen-bonded Turntrans-66.4-12.2-179.726.7-35.3000114.3R149 Y152R149-P265 HydrophobicContact CG-CB 3.88Å; R149-P265 HydrophobicContact CG-CG 3.87Å; Y152-P265 HydrophobicContact CD1-CG 4Å; Y152-P265 HydrophobicContact CG-CG 4.01Å
266D94.2Very high97.1Very high117 Ų11738.2 Ų38.263%0.62622%0.224SC*.THydrogen-bonded Turntrans-100.6-3.9175.960.9-34.1000113.4P264P264-D266 WeakPolarHBondContact CB-OD1 3.4Å; P264-D266 PolarHBondContact O-N 2.99Å; P264-D266 VanDerWaalsContact O-N 3.12Å
267F97.3Very high97Very high22 Ų2243.3 Ų43.310%0.09625%0.251CS..  trans-69.6131.2171.3175.6-97.7000110.4W184 M202 V227 M231 L263 P264 P269W184-F267 VanDerWaalsContact CZ2-O 3.31Å; W184-F267 WeakPolarHBondContact CZ2-O 3.39Å; M202-F267 HydrophobicContact SD-CE1 4.39Å; V227-F267 HydrophobicContact CB-CZ 4.39Å; V227-F267 HydrophobicContact CG2-CE1 4.28Å; V227-F267 HydrophobicContact CG2-CZ 3.73Å; M231-F267 HydrophobicContact CE-CD2 4.21Å; M231-F267 HydrophobicContact SD-CD2 3.89Å; M231-F267 HydrophobicContact SD-CE2 4.39Å; M231-F267 HydrophobicContact SD-CG 4.47Å; L263-F267 HydrophobicContact CB-CB 4.38Å; L263-F267 HydrophobicContact CB-CD1 4.15Å; L263-F267 HydrophobicContact CB-CG 4.49Å; L263-F267 HydrophobicContact CD1-CD1 3.72Å; L263-F267 HydrophobicContact CD1-CE1 3.8Å; L263-F267 HydrophobicContact CD2-CD1 3.83Å; L263-F267 HydrophobicContact CD2-CE1 3.98Å; L263-F267 HydrophobicContact CD2-CG 4.12Å; L263-F267 HydrophobicContact CD2-CZ 4.44Å; L263-F267 HydrophobicContact CG-CD1 4.1Å; L263-F267 HydrophobicContact CG-CE1 4.43Å; P264-F267 HydrophobicContact CB-CB 4.42Å; P264-F267 WeakPolarHBondContact O-CB 3.34Å; P264-F267 PolarHBondContact O-N 3.09Å; F267-P269 HydrophobicContact CE1-CB 3.78Å; F267-P269 HydrophobicContact CE1-CG 4.3Å; F267-P269 HydrophobicContact CZ-CB 4.15Å
268I98.1Very high97Very high126 Ų12644.7 Ų44.765%0.64626%0.264SS*.  trans-123.4113.3175.1-59.1175.6000107.1
269P98.4Very high97Very high6 Ų646.7 Ų46.74%0.03927%0.273CS..  trans-67.6146.7179.128-34.3000111.3W184 A225 F267 F279W184-P269 HydrophobicContact CD2-CG 3.66Å; W184-P269 VanDerWaalsContact CE2-CD 3.45Å; W184-P269 HydrophobicContact CE3-CG 3.72Å; W184-P269 HydrophobicContact CG-CG 4.08Å; W184-P269 HydrophobicContact CH2-CG 4.47Å; W184-P269 HydrophobicContact CZ2-CG 4.43Å; W184-P269 HydrophobicContact CZ3-CG 4.11Å; A225-P269 HydrophobicContact CB-CB 3.9Å; A225-P269 WeakPolarHBondContact O-CA 3.47Å; F267-P269 HydrophobicContact CE1-CB 3.78Å; F267-P269 HydrophobicContact CE1-CG 4.3Å; F267-P269 HydrophobicContact CZ-CB 4.15Å; P269-F279 HydrophobicContact CB-CD1 4.03Å; P269-F279 HydrophobicContact CB-CD2 3.85Å; P269-F279 HydrophobicContact CB-CE1 3.97Å; P269-F279 HydrophobicContact CB-CE2 3.8Å; P269-F279 HydrophobicContact CB-CG 3.97Å; P269-F279 HydrophobicContact CB-CZ 3.86Å; P269-F279 HydrophobicContact CG-CB 3.83Å; P269-F279 HydrophobicContact CG-CD1 3.61Å; P269-F279 HydrophobicContact CG-CD2 3.78Å; P269-F279 HydrophobicContact CG-CE1 4.06Å; P269-F279 HydrophobicContact CG-CE2 4.22Å; P269-F279 HydrophobicContact CG-CG 3.45Å; P269-F279 VanDerWaalsContact CG-CG 3.45Å; P269-F279 HydrophobicContact CG-CZ 4.34Å
270V98Very high96.9Very high89 Ų8951.5 Ų51.554%0.53929%0.291SS..  trans-137.5136.8174.5-179.70000108.1A225 S226A225-V270 CarbonylContact C-O 3.58Å; A225-V270 WeakPolarHBondContact CA-O 3.36Å; A225-V270 PolarHBondContact O-N 2.6Å; S226-V270 WeakPolarHBondContact CB-O 3.07Å; S226-V270 PolarHBondContact N-O 3.41Å; S226-V270 VanDerWaalsContact N-O 3.13Å; S226-V270 PolarHBondContact OG-O 2.81Å
271S97.6Very high96.9Very high30 Ų3054.3 Ų54.321%0.2131%0.306CS..  trans-73.5130.2174.8-179.90000111E224 D273 G274 V276E224-S271 VanDerWaalsContact O-CA 3.23Å; E224-S271 WeakPolarHBondContact O-CA 3.14Å; S271-D273 PolarHBondContact OG-OD1 2.89Å; S271-G274 PolarHBondContact OG-N 2.95Å; S271-V276 WeakPolarHBondContact CB-O 3.47Å; S271-V276 PolarHBondContact OG-N 3.5Å; S271-V276 PolarHBondContact OG-O 3.4Å
272S96.4Very high96.9Very high89 Ų8954.3 Ų54.362%0.62231%0.306SS*.SBendtrans-103.4-14.9177.8-79.60000113.4E223 S226E223-S272 WeakPolarHBondContact O-CA 3.47Å; E223-S272 WeakPolarHBondContact O-CB 3.28Å; E223-S272 PolarHBondContact O-N 2.9Å; S226-S272 PolarHBondContact OG-OG 3.21Å
273D95.3Very high96.9Very high60 Ų6053.4 Ų53.432%0.32130%0.303SS..SBendtrans-113.9-11.1-17563.22000114E223 S271 E275E223-D273 HydrophobicContact CB-CB 4.34Å; E223-D273 PolarHBondContact O-N 3.29Å; S271-D273 PolarHBondContact OG-OD1 2.89Å; D273-E275 VanDerWaalsContact C-N 3.31Å; D273-E275 VanDerWaalsContact OD1-CB 3.28Å; D273-E275 WeakPolarHBondContact OD1-CB 3.45Å; D273-E275 PolarHBondContact OD1-N 3.49Å; D273-E275 WeakPolarHBondContact OD2-CB 3.44Å; D273-E275 WeakPolarHBondContact OD2-CG 3.45Å
274G94.2Very high97Very high47 Ų4753.4 Ų53.449%0.48530%0.303SS..SBendtrans79.99.7-177.300000114.4S189 S271S189-G274 WeakPolarHBondContact CB-O 3.35Å; S189-G274 PolarHBondContact OG-O 3.14Å; S271-G274 PolarHBondContact OG-N 2.95Å
275E95.6Very high97Very high82 Ų8254.2 Ų54.238%0.38331%0.309SS..SBendtrans-76.6-33.9176.4-77.5-143.7-170.400111.7S189 K192 E224 D273S189-E275 WeakPolarHBondContact CB-O 3.28Å; S189-E275 PolarHBondContact N-O 3.36Å; K192-E275 VanDerWaalsContact CE-C 3.5Å; K192-E275 WeakPolarHBondContact CE-O 3.42Å; K192-E275 WeakPolarHBondContact CE-OE2 3.3Å; K192-E275 IonicContact NZ-OE2 3.71Å; K192-E275 PolarHBondContact NZ-OE2 3.44Å; E224-E275 HydrophobicContact CG-CB 4.42Å; D273-E275 VanDerWaalsContact C-N 3.31Å; D273-E275 VanDerWaalsContact OD1-CB 3.28Å; D273-E275 WeakPolarHBondContact OD1-CB 3.45Å; D273-E275 PolarHBondContact OD1-N 3.49Å; D273-E275 WeakPolarHBondContact OD2-CB 3.44Å; D273-E275 WeakPolarHBondContact OD2-CG 3.45Å
276V97.9Very high97.1Very high7 Ų755.9 Ų55.94%0.04231%0.313CS..EExtended strand (participates in β ladder)trans-102.3131.7169-1790000109.9E224 S271 S278 F279E224-V276 HydrophobicContact CB-CG2 3.87Å; E224-V276 HydrophobicContact CG-CG2 4.18Å; S271-V276 WeakPolarHBondContact CB-O 3.47Å; S271-V276 PolarHBondContact OG-N 3.5Å; S271-V276 PolarHBondContact OG-O 3.4Å; V276-S278 WeakPolarHBondContact CG1-O 3.34Å; V276-F279 HydrophobicContact CB-CE2 4.31Å; V276-F279 HydrophobicContact CB-CZ 4.16Å; V276-F279 HydrophobicContact CG1-CD2 4.18Å; V276-F279 HydrophobicContact CG1-CE1 4.08Å; V276-F279 HydrophobicContact CG1-CE2 3.71Å; V276-F279 HydrophobicContact CG1-CZ 3.66Å; V276-F279 HydrophobicContact CG2-CZ 4.33Å
277D97.8Very high97.3Very high111 Ų11150.3 Ų50.359%0.59428%0.283SS*.EExtended strand (participates in β ladder)trans-79.9-49.5177.9173.786.3000111.5L187L187-D277 PolarHBondContact O-N 3.27Å
278S98Very high97.1Very high50 Ų5052.7 Ų52.735%0.3529%0.294SS..EExtended strand (participates in β ladder)trans-156.8167.6-17750.30000111L187 V276L187-S278 WeakPolarHBondContact CB-O 3.07Å; L187-S278 PolarHBondContact N-O 3.36Å; V276-S278 WeakPolarHBondContact CG1-O 3.34Å
279F98.6Very high96.9Very high42 Ų4252.8 Ų52.818%0.18429%0.292CS..EExtended strand (participates in β ladder)trans-118142.4-179.7-75.3-84.3000111.8W184 L185 M202 E224 A225 P269 V276W184-F279 HydrophobicContact CE3-CB 3.99Å; W184-F279 HydrophobicContact CZ3-CB 4.13Å; L185-F279 WeakPolarHBondContact O-CA 3.45Å; M202-F279 HydrophobicContact CG-CE1 3.98Å; M202-F279 WeakPolarHBondContact O-CE1 3.19Å; E224-F279 WeakPolarHBondContact O-CE2 3.45Å; E224-F279 WeakPolarHBondContact O-CZ 3.23Å; A225-F279 HydrophobicContact CB-CE1 4.39Å; A225-F279 HydrophobicContact CB-CZ 3.93Å; P269-F279 HydrophobicContact CB-CD1 4.03Å; P269-F279 HydrophobicContact CB-CD2 3.85Å; P269-F279 HydrophobicContact CB-CE1 3.97Å; P269-F279 HydrophobicContact CB-CE2 3.8Å; P269-F279 HydrophobicContact CB-CG 3.97Å; P269-F279 HydrophobicContact CB-CZ 3.86Å; P269-F279 HydrophobicContact CG-CB 3.83Å; P269-F279 HydrophobicContact CG-CD1 3.61Å; P269-F279 HydrophobicContact CG-CD2 3.78Å; P269-F279 HydrophobicContact CG-CE1 4.06Å; P269-F279 HydrophobicContact CG-CE2 4.22Å; P269-F279 HydrophobicContact CG-CG 3.45Å; P269-F279 VanDerWaalsContact CG-CG 3.45Å; P269-F279 HydrophobicContact CG-CZ 4.34Å; V276-F279 HydrophobicContact CB-CE2 4.31Å; V276-F279 HydrophobicContact CB-CZ 4.16Å; V276-F279 HydrophobicContact CG1-CD2 4.18Å; V276-F279 HydrophobicContact CG1-CE1 4.08Å; V276-F279 HydrophobicContact CG1-CE2 3.71Å; V276-F279 HydrophobicContact CG1-CZ 3.66Å; V276-F279 HydrophobicContact CG2-CZ 4.33Å
280R97.8Very high96.7Very high103 Ų10353.4 Ų53.439%0.38929%0.294SS..EExtended strand (participates in β ladder)trans-115.8127.5169.8176.5177.8176.1171.6-1.1109.5L185 E286L185-R280 PolarHBondContact N-O 3Å; L185-R280 PolarHBondContact O-N 3.44Å; R280-E286 IonicContact CZ-OE1 3.9Å; R280-E286 IonicContact NH2-OE1 2.84Å; R280-E286 PolarHBondContact NH2-OE1 3.19Å
281L98.2Very high96.6Very high70 Ų7049.2 Ų49.237%0.36627%0.269SS..EExtended strand (participates in β ladder)trans-87.8122.8164.8-168.461.7000108.6F182 W184F182-L281 HydrophobicContact CB-CD1 3.5Å; F182-L281 HydrophobicContact CB-CD2 4.18Å; F182-L281 HydrophobicContact CB-CG 3.76Å; F182-L281 HydrophobicContact CD1-CD2 4.4Å; F182-L281 HydrophobicContact CD1-CG 4.19Å; F182-L281 HydrophobicContact CG-CD1 4.47Å; F182-L281 HydrophobicContact CG-CD2 4.35Å; F182-L281 HydrophobicContact CG-CG 4.25Å; W184-L281 HydrophobicContact CD2-CB 4.37Å; W184-L281 HydrophobicContact CD2-CD1 3.64Å; W184-L281 HydrophobicContact CE3-CB 3.85Å; W184-L281 HydrophobicContact CE3-CD1 4.01Å; W184-L281 HydrophobicContact CG-CD1 4.03Å; W184-L281 HydrophobicContact CH2-CB 3.86Å; W184-L281 HydrophobicContact CH2-CD1 4.33Å; W184-L281 HydrophobicContact CH2-CD2 4.26Å; W184-L281 HydrophobicContact CH2-CG 4.38Å; W184-L281 HydrophobicContact CZ2-CB 4.36Å; W184-L281 HydrophobicContact CZ2-CD1 3.97Å; W184-L281 HydrophobicContact CZ2-CD2 4.17Å; W184-L281 HydrophobicContact CZ2-CG 4.4Å; W184-L281 HydrophobicContact CZ3-CB 3.6Å; W184-L281 HydrophobicContact CZ3-CD1 4.35Å; W184-L281 HydrophobicContact CZ3-CG 4.45Å
282A98.3Very high96.3Very high0 Ų050.4 Ų50.40%027%0.27CS..EExtended strand (participates in β ladder)trans-125.3137.5179.100000110.4F182 M183 L185 E286 I287 L290F182-A282 CarbonylContact C-O 3.55Å; F182-A282 VanDerWaalsContact CA-O 3.28Å; F182-A282 WeakPolarHBondContact CA-O 3.04Å; M183-A282 PolarHBondContact N-O 3.16Å; M183-A282 PolarHBondContact O-N 3.1Å; L185-A282 HydrophobicContact CD1-CB 4.34Å; A282-E286 HydrophobicContact CB-CB 4.16Å; A282-I287 HydrophobicContact CB-CD1 3.79Å; A282-I287 HydrophobicContact CB-CG1 4.31Å; A282-L290 HydrophobicContact CB-CD1 3.98Å
283S97.9Very high96.2Very high11 Ų1149.2 Ų49.28%0.07726%0.257CS..EExtended strand (participates in β ladder)trans-63.4155.6170.360.20000111V181 S285 E286 I287V181-S283 CarbonylContact O-C 3.57Å; V181-S283 WeakPolarHBondContact O-CA 3.45Å; S283-S285 PolarHBondContact O-N 2.89Å; S283-E286 PolarHBondContact N-OE2 2.83Å; S283-E286 WeakPolarHBondContact O-CA 3.48Å; S283-E286 WeakPolarHBondContact O-CB 3.35Å; S283-E286 PolarHBondContact O-N 3.12Å; S283-E286 VanDerWaalsContact OG-CG 3.31Å; S283-E286 WeakPolarHBondContact OG-CG 3.47Å; S283-E286 PolarHBondContact OG-N 3.06Å; S283-E286 PolarHBondContact OG-OE2 2.77Å; S283-I287 WeakPolarHBondContact O-CG1 3.21Å; S283-I287 PolarHBondContact O-N 2.8Å
284I97.4Very high96Very high0 Ų053 Ų530%027%0.273CS..Hα-helixtrans-60.9-30.8175.1-69-58.9000111.7P178 V181 M183 E286 I287 K288 F307 L308 F313P178-I284 HydrophobicContact CB-CB 3.92Å; P178-I284 HydrophobicContact CB-CG2 3.8Å; P178-I284 WeakPolarHBondContact O-CB 3.29Å; P178-I284 PolarHBondContact O-N 2.94Å; P178-I284 VanDerWaalsContact O-N 3.1Å; V181-I284 HydrophobicContact CB-CG1 3.69Å; V181-I284 HydrophobicContact CG1-CD1 4.39Å; V181-I284 HydrophobicContact CG1-CG1 3.71Å; V181-I284 PolarHBondContact O-N 2.83Å; M183-I284 HydrophobicContact CB-CD1 4.43Å; M183-I284 HydrophobicContact CE-CD1 4.09Å; I284-E286 VanDerWaalsContact C-N 3.34Å; I284-E286 PolarHBondContact O-N 2.88Å; I284-I287 HydrophobicContact CD1-CG1 4.31Å; I284-I287 PolarHBondContact O-N 3.37Å; I284-K288 WeakPolarHBondContact O-CG 3.35Å; I284-K288 PolarHBondContact O-N 2.92Å; I284-F307 HydrophobicContact CD1-CD1 4.05Å; I284-F307 HydrophobicContact CD1-CE1 3.59Å; I284-F307 HydrophobicContact CG1-CE1 4.38Å; I284-L308 HydrophobicContact CD1-CD2 4.42Å; I284-L308 HydrophobicContact CG2-CD2 3.53Å; I284-F313 HydrophobicContact CG1-CD2 4.42Å; I284-F313 HydrophobicContact CG1-CE2 4.15Å; I284-F313 HydrophobicContact CG1-CZ 4.35Å; I284-F313 HydrophobicContact CG2-CB 3.79Å; I284-F313 HydrophobicContact CG2-CD1 3.8Å; I284-F313 HydrophobicContact CG2-CD2 3.74Å; I284-F313 HydrophobicContact CG2-CE1 4.27Å; I284-F313 HydrophobicContact CG2-CE2 4.21Å; I284-F313 HydrophobicContact CG2-CG 3.51Å; I284-F313 HydrophobicContact CG2-CZ 4.46Å
285S95.8Very high96.1Very high38 Ų3855.6 Ų55.627%0.26627%0.272SS..Hα-helixtrans-60.3-41.1171-65.50000112.8D179 S283D179-S285 WeakPolarHBondContact OD1-CB 3.46Å; D179-S285 PolarHBondContact OD1-OG 3.35Å; S283-S285 PolarHBondContact O-N 2.89Å
286E97Very high96.1Very high73 Ų7351.8 Ų51.834%0.34125%0.254SS..Hα-helixtrans-68.4-42.6172.2-72.5168.695.300111.8R280 A282 S283 I284 K288 Q289 L290R280-E286 IonicContact CZ-OE1 3.9Å; R280-E286 IonicContact NH2-OE1 2.84Å; R280-E286 PolarHBondContact NH2-OE1 3.19Å; A282-E286 HydrophobicContact CB-CB 4.16Å; S283-E286 PolarHBondContact N-OE2 2.83Å; S283-E286 WeakPolarHBondContact O-CA 3.48Å; S283-E286 WeakPolarHBondContact O-CB 3.35Å; S283-E286 PolarHBondContact O-N 3.12Å; S283-E286 VanDerWaalsContact OG-CG 3.31Å; S283-E286 WeakPolarHBondContact OG-CG 3.47Å; S283-E286 PolarHBondContact OG-N 3.06Å; S283-E286 PolarHBondContact OG-OE2 2.77Å; I284-E286 VanDerWaalsContact C-N 3.34Å; I284-E286 PolarHBondContact O-N 2.88Å; E286-K288 VanDerWaalsContact C-N 3.25Å; E286-K288 PolarHBondContact O-N 2.87Å; E286-Q289 WeakPolarHBondContact O-CA 3.47Å; E286-Q289 PolarHBondContact O-N 2.79Å; E286-L290 HydrophobicContact CB-CD1 4.22Å; E286-L290 WeakPolarHBondContact O-CG 3.33Å; E286-L290 PolarHBondContact O-N 3.17Å
287I97.1Very high96.1Very high0 Ų052.5 Ų52.50%026%0.257CS..Hα-helixtrans-55.7-42.1178-63.7-59.4000110.9M183 L185 A282 S283 I284 Q289 L290 I291 A304 L308M183-I287 HydrophobicContact CB-CD1 4.19Å; M183-I287 HydrophobicContact CB-CG1 4.1Å; M183-I287 HydrophobicContact SD-CD1 4.15Å; M183-I287 HydrophobicContact SD-CG1 4.3Å; L185-I287 HydrophobicContact CD1-CD1 3.71Å; L185-I287 HydrophobicContact CD2-CD1 3.95Å; L185-I287 HydrophobicContact CG-CD1 4.03Å; A282-I287 HydrophobicContact CB-CD1 3.79Å; A282-I287 HydrophobicContact CB-CG1 4.31Å; S283-I287 WeakPolarHBondContact O-CG1 3.21Å; S283-I287 PolarHBondContact O-N 2.8Å; I284-I287 HydrophobicContact CD1-CG1 4.31Å; I284-I287 PolarHBondContact O-N 3.37Å; I287-Q289 PolarHBondContact O-N 2.76Å; I287-L290 HydrophobicContact CD1-CD1 4.36Å; I287-L290 PolarHBondContact O-N 2.91Å; I287-L290 VanDerWaalsContact O-N 3.15Å; I287-I291 HydrophobicContact CG2-CG2 4.06Å; I287-I291 WeakPolarHBondContact O-CG2 3.25Å; I287-I291 PolarHBondContact O-N 3.36Å; I287-I291 VanDerWaalsContact O-N 3.13Å; I287-A304 HydrophobicContact CG2-CB 4.14Å; I287-L308 HydrophobicContact CG2-CD1 4.28Å; I287-L308 HydrophobicContact CG2-CD2 4.31Å; I287-L308 HydrophobicContact CG2-CG 4.48Å
288K93.7Very high96Very high73 Ų7348.9 Ų48.932%0.31724%0.24SC..Hα-helixtrans-56.3-22176.3-73.8173.169.3161.40113.9I284 E286 F292 L308 F313I284-K288 WeakPolarHBondContact O-CG 3.35Å; I284-K288 PolarHBondContact O-N 2.92Å; E286-K288 VanDerWaalsContact C-N 3.25Å; E286-K288 PolarHBondContact O-N 2.87Å; K288-F292 VanDerWaalsContact O-CE2 3.25Å; K288-F292 WeakPolarHBondContact O-CE2 3.4Å; K288-L308 HydrophobicContact CG-CD1 3.92Å; K288-L308 HydrophobicContact CG-CD2 4Å; K288-F313 PolarHBondContact NZ-O 3.36Å
289Q93.4Very high95.9Very high128 Ų12847.4 Ų47.460%0.59823%0.229SC*.Hα-helixtrans-98.3-43.1173.7-55.4-57.6-29.600111.7E286 I287 I291 F292E286-Q289 WeakPolarHBondContact O-CA 3.47Å; E286-Q289 PolarHBondContact O-N 2.79Å; I287-Q289 PolarHBondContact O-N 2.76Å; Q289-I291 VanDerWaalsContact C-N 3.3Å; Q289-I291 PolarHBondContact O-N 2.99Å; Q289-F292 PolarHBondContact O-N 2.87Å
290L95.3Very high95.9Very high19 Ų1945.4 Ų45.410%0.09922%0.22CC..Hα-helixtrans-61.9-32.1-174.6-75170.7000113.6L185 L199 A282 E286 I287 F292 D293 F296L185-L290 HydrophobicContact CD1-CD1 3.98Å; L199-L290 HydrophobicContact CD1-CD2 4.35Å; A282-L290 HydrophobicContact CB-CD1 3.98Å; E286-L290 HydrophobicContact CB-CD1 4.22Å; E286-L290 WeakPolarHBondContact O-CG 3.33Å; E286-L290 PolarHBondContact O-N 3.17Å; I287-L290 HydrophobicContact CD1-CD1 4.36Å; I287-L290 PolarHBondContact O-N 2.91Å; I287-L290 VanDerWaalsContact O-N 3.15Å; L290-F292 PolarHBondContact O-N 3.42Å; L290-D293 VanDerWaalsContact O-CB 3.23Å; L290-D293 WeakPolarHBondContact O-CB 3.45Å; L290-D293 PolarHBondContact O-N 3.03Å; L290-F296 HydrophobicContact CB-CD2 4.08Å; L290-F296 HydrophobicContact CB-CE2 4.2Å; L290-F296 VanDerWaalsContact O-CD2 3.29Å; L290-F296 WeakPolarHBondContact O-CD2 3.44Å
291I94.9Very high95.9Very high1 Ų140.5 Ų40.51%0.00520%0.201CC..THydrogen-bonded Turntrans-58.6-17.3178.360169.1000113.6L9 I287 Q289 A301 A304 L305 L308L9-I291 HydrophobicContact CD2-CD1 4.06Å; I287-I291 HydrophobicContact CG2-CG2 4.06Å; I287-I291 WeakPolarHBondContact O-CG2 3.25Å; I287-I291 PolarHBondContact O-N 3.36Å; I287-I291 VanDerWaalsContact O-N 3.13Å; Q289-I291 VanDerWaalsContact C-N 3.3Å; Q289-I291 PolarHBondContact O-N 2.99Å; I291-A301 HydrophobicContact CB-CB 4.23Å; I291-A301 HydrophobicContact CG2-CB 4.46Å; I291-A304 HydrophobicContact CG2-CB 3.79Å; I291-L305 HydrophobicContact CD1-CD1 4.11Å; I291-L308 HydrophobicContact CD1-CD1 4.14Å
292F92.3Very high95.8Very high54 Ų5437.2 Ų37.224%0.23718%0.184CC..THydrogen-bonded Turntrans-92.7-8.8176.6-56.8-62.2000113.8P5 S8 L9 K288 Q289 L290P5-F292 HydrophobicContact CB-CE2 4.29Å; P5-F292 HydrophobicContact CB-CZ 4.34Å; P5-F292 VanDerWaalsContact O-CZ 3.31Å; P5-F292 WeakPolarHBondContact O-CZ 3.42Å; S8-F292 VanDerWaalsContact CB-CD1 3.45Å; S8-F292 WeakPolarHBondContact OG-CD1 3.1Å; S8-F292 WeakPolarHBondContact OG-CE1 3.5Å; S8-F292 WeakPolarHBondContact OG-CZ 3.5Å; L9-F292 HydrophobicContact CB-CE1 4.46Å; L9-F292 HydrophobicContact CD2-CE1 3.6Å; L9-F292 HydrophobicContact CD2-CZ 3.68Å; L9-F292 HydrophobicContact CG-CE1 3.82Å; L9-F292 HydrophobicContact CG-CZ 3.83Å; K288-F292 VanDerWaalsContact O-CE2 3.25Å; K288-F292 WeakPolarHBondContact O-CE2 3.4Å; Q289-F292 PolarHBondContact O-N 2.87Å; L290-F292 PolarHBondContact O-N 3.42Å
293D93.1Very high95.8Very high65 Ų6537.2 Ų37.235%0.34818%0.184SC..  trans-63.7141.4178.8-160.5-63.2000110.6L290 H295 F296L290-D293 VanDerWaalsContact O-CB 3.23Å; L290-D293 WeakPolarHBondContact O-CB 3.45Å; L290-D293 PolarHBondContact O-N 3.03Å; D293-H295 PolarHBondContact O-N 3.32Å; D293-H295 WeakPolarHBondContact OD1-CA 3.36Å; D293-H295 WeakPolarHBondContact OD1-CB 3.05Å; D293-H295 IonicContact OD1-CG 3.63Å; D293-H295 PolarHBondContact OD1-N 2.85Å; D293-H295 IonicContact OD1-ND1 3.16Å; D293-H295 PolarHBondContact OD1-ND1 3.03Å; D293-H295 VanDerWaalsContact OD1-ND1 3.16Å; D293-F296 HydrophobicContact CB-CB 4.4Å; D293-F296 PolarHBondContact O-N 2.59Å
294E92.5Very high95.8Very high140 Ų14036.7 Ų36.765%0.65418%0.18SC*.THydrogen-bonded Turntrans-69.7-24.4177.367.2-173.2170.400112.8F296E294-F296 VanDerWaalsContact C-N 3.29Å
295H95.3Very high95.7Very high101 Ų10136.7 Ų36.747%0.46818%0.18SC..THydrogen-bonded Turntrans-87.16.3174.1-54.288.7000112.5M198 L199 D293M198-H295 CarbonylContact C-O 3.58Å; M198-H295 WeakPolarHBondContact CA-O 3.33Å; M198-H295 VanDerWaalsContact CB-O 3.26Å; M198-H295 WeakPolarHBondContact CB-O 3.5Å; L199-H295 PolarHBondContact N-O 2.97Å; D293-H295 PolarHBondContact O-N 3.32Å; D293-H295 WeakPolarHBondContact OD1-CA 3.36Å; D293-H295 WeakPolarHBondContact OD1-CB 3.05Å; D293-H295 IonicContact OD1-CG 3.63Å; D293-H295 PolarHBondContact OD1-N 2.85Å; D293-H295 IonicContact OD1-ND1 3.16Å; D293-H295 PolarHBondContact OD1-ND1 3.03Å; D293-H295 VanDerWaalsContact OD1-ND1 3.16Å
296F97Very high95.8Very high1 Ų135 Ų350%0.00417%0.168CC..BIsolated β-bridgetrans-91.4121.1166.1-148.6-51.6000109.3L185 L199 L290 D293 E294 S298 A301 A304L185-F296 HydrophobicContact CD1-CE2 3.91Å; L185-F296 HydrophobicContact CD1-CZ 4.36Å; L185-F296 HydrophobicContact CD2-CE2 4.1Å; L185-F296 HydrophobicContact CD2-CZ 3.71Å; L199-F296 HydrophobicContact CB-CD1 4.31Å; L199-F296 HydrophobicContact CB-CD2 4.1Å; L199-F296 HydrophobicContact CB-CE2 4.4Å; L199-F296 HydrophobicContact CB-CG 4.07Å; L199-F296 HydrophobicContact CD1-CD2 4.16Å; L199-F296 WeakPolarHBondContact O-CD1 3.34Å; L290-F296 HydrophobicContact CB-CD2 4.08Å; L290-F296 HydrophobicContact CB-CE2 4.2Å; L290-F296 VanDerWaalsContact O-CD2 3.29Å; L290-F296 WeakPolarHBondContact O-CD2 3.44Å; D293-F296 HydrophobicContact CB-CB 4.4Å; D293-F296 PolarHBondContact O-N 2.59Å; E294-F296 VanDerWaalsContact C-N 3.29Å; F296-S298 PolarHBondContact O-N 3.3Å; F296-A301 HydrophobicContact CD1-CB 3.77Å; F296-A301 HydrophobicContact CE1-CB 4.2Å; F296-A301 HydrophobicContact CG-CB 4.18Å; F296-A304 HydrophobicContact CZ-CB 4.45Å
297K97.3Very high95.8Very high22 Ų2231.5 Ų31.510%0.09615%0.152CC..  trans-56.3130.1177-179.3175.3156.5-114.50109.9H141 M198 L199 D200 N299 S300 A301H141-K297 PolarHBondContact CE1-NZ 3.32Å; M198-K297 HydrophobicContact CB-CB 4.25Å; L199-K297 VanDerWaalsContact O-CB 3.26Å; L199-K297 WeakPolarHBondContact O-CB 3.26Å; L199-K297 PolarHBondContact O-N 2.79Å; D200-K297 IonicContact OD1-NZ 3.86Å; D200-K297 PolarHBondContact OD1-NZ 2.95Å; D200-K297 WeakPolarHBondContact OD2-CD 3.31Å; D200-K297 IonicContact OD2-NZ 3.53Å; D200-K297 PolarHBondContact OD2-NZ 3.26Å; K297-N299 WeakPolarHBondContact CE-OD1 3.13Å; K297-N299 WeakPolarHBondContact CG-OD1 3.36Å; K297-N299 PolarHBondContact NZ-OD1 2.98Å; K297-N299 VanDerWaalsContact NZ-OD1 3.12Å; K297-N299 PolarHBondContact O-N 3.45Å; K297-S300 PolarHBondContact NZ-OG 3.24Å; K297-S300 WeakPolarHBondContact O-CB 3.29Å; K297-S300 PolarHBondContact O-N 3.31Å; K297-A301 PolarHBondContact O-N 3.25Å
298S95.1Very high95.7Very high35 Ų3531.5 Ų31.525%0.24515%0.152CC..Hα-helixtrans-64.8-43.3-161.5-52.50000113.9K16 F296 A301 L302K16-S298 WeakPolarHBondContact CD-OG 3.45Å; F296-S298 PolarHBondContact O-N 3.3Å; S298-A301 PolarHBondContact O-N 3.02Å; S298-L302 PolarHBondContact O-N 3.12Å; S298-L302 VanDerWaalsContact O-N 3.14Å
299N96.2Very high95.7Very high20 Ų2028.9 Ų28.911%0.10714%0.14CC..Hα-helixtrans-67.9-37.7177.170.3-24.9000111.6H141 Y243 E256 K297 A301 L302 V303H141-N299 PolarHBondContact CE1-ND2 3.02Å; H141-N299 PolarHBondContact NE2-ND2 3.04Å; Y243-N299 HydrophobicContact CE1-CB 4.07Å; Y243-N299 WeakPolarHBondContact OH-CB 3.21Å; Y243-N299 PolarHBondContact OH-ND2 2.95Å; E256-N299 PolarHBondContact OE1-ND2 3.15Å; K297-N299 WeakPolarHBondContact CE-OD1 3.13Å; K297-N299 WeakPolarHBondContact CG-OD1 3.36Å; K297-N299 PolarHBondContact NZ-OD1 2.98Å; K297-N299 VanDerWaalsContact NZ-OD1 3.12Å; K297-N299 PolarHBondContact O-N 3.45Å; N299-A301 VanDerWaalsContact C-N 3.31Å; N299-A301 PolarHBondContact O-N 3.12Å; N299-L302 WeakPolarHBondContact O-CA 3.49Å; N299-L302 WeakPolarHBondContact O-CB 3.3Å; N299-L302 PolarHBondContact O-N 2.83Å; N299-V303 WeakPolarHBondContact O-CG2 3.47Å; N299-V303 PolarHBondContact O-N 3.22Å
300S98.3Very high95.8Very high0 Ų026 Ų260%012%0.124CC..Hα-helixtrans-63.2-37175.1-44.40000112.6H141 D200 N201 K297 L302 V303 A304H141-S300 PolarHBondContact CE1-OG 3.48Å; D200-S300 VanDerWaalsContact CG-OG 3.27Å; D200-S300 VanDerWaalsContact OD1-CB 3.27Å; D200-S300 WeakPolarHBondContact OD1-CB 3.4Å; D200-S300 PolarHBondContact OD1-OG 3.32Å; N201-S300 PolarHBondContact ND2-O 2.8Å; N201-S300 WeakPolarHBondContact OD1-CA 3.31Å; N201-S300 VanDerWaalsContact OD1-CB 3.23Å; N201-S300 WeakPolarHBondContact OD1-CB 3.43Å; K297-S300 PolarHBondContact NZ-OG 3.24Å; K297-S300 WeakPolarHBondContact O-CB 3.29Å; K297-S300 PolarHBondContact O-N 3.31Å; S300-L302 VanDerWaalsContact C-N 3.35Å; S300-V303 PolarHBondContact O-N 3.18Å; S300-A304 PolarHBondContact O-N 3.12Å
301A97.2Very high95.8Very high0 Ų026.8 Ų26.80%013%0.127CC..Hα-helixtrans-66.4-34.1172.100000112.2L12 I291 F296 K297 S298 N299 A304 L305L12-A301 HydrophobicContact CD1-CB 3.98Å; L12-A301 HydrophobicContact CD2-CB 4.06Å; I291-A301 HydrophobicContact CB-CB 4.23Å; I291-A301 HydrophobicContact CG2-CB 4.46Å; F296-A301 HydrophobicContact CD1-CB 3.77Å; F296-A301 HydrophobicContact CE1-CB 4.2Å; F296-A301 HydrophobicContact CG-CB 4.18Å; K297-A301 PolarHBondContact O-N 3.25Å; S298-A301 PolarHBondContact O-N 3.02Å; N299-A301 VanDerWaalsContact C-N 3.31Å; N299-A301 PolarHBondContact O-N 3.12Å; A301-A304 PolarHBondContact O-N 3.11Å; A301-L305 VanDerWaalsContact O-CB 3.3Å; A301-L305 WeakPolarHBondContact O-CB 3.4Å; A301-L305 PolarHBondContact O-N 3.26Å
302L97Very high95.7Very high0 Ų033.8 Ų33.80%016%0.157CC..Hα-helixtrans-65.1-40.7170.7-62.8-170.4000112L12 V13 C17 I241 Y243 S298 N299 S300 A304 L305 D306 M329L12-L302 HydrophobicContact CD2-CD2 4.3Å; L12-L302 HydrophobicContact CG-CD2 4.05Å; V13-L302 HydrophobicContact CB-CD2 4.11Å; V13-L302 HydrophobicContact CG1-CD2 4.06Å; V13-L302 HydrophobicContact CG2-CD2 3.6Å; C17-L302 HydrophobicContact CB-CD1 3.74Å; C17-L302 VanDerWaalsContact SG-CD1 3.52Å; I241-L302 HydrophobicContact CD1-CB 4.19Å; I241-L302 HydrophobicContact CG2-CD1 4.2Å; Y243-L302 HydrophobicContact CD1-CD1 4.26Å; S298-L302 PolarHBondContact O-N 3.12Å; S298-L302 VanDerWaalsContact O-N 3.14Å; N299-L302 WeakPolarHBondContact O-CA 3.49Å; N299-L302 WeakPolarHBondContact O-CB 3.3Å; N299-L302 PolarHBondContact O-N 2.83Å; S300-L302 VanDerWaalsContact C-N 3.35Å; L302-A304 VanDerWaalsContact C-N 3.35Å; L302-L305 WeakPolarHBondContact O-CB 3.46Å; L302-L305 PolarHBondContact O-N 2.98Å; L302-D306 PolarHBondContact O-N 3.46Å; L302-M329 HydrophobicContact CB-CE 4.43Å; L302-M329 HydrophobicContact CD2-CG 4.43Å; L302-M329 VanDerWaalsContact O-CE 3.28Å; L302-M329 WeakPolarHBondContact O-CE 3.47Å
303V98.4Very high95.7Very high0 Ų032.1 Ų32.10%015%0.15CC..Hα-helixtrans-66-38.4177.5176.20000111.5H141 N143 I241 C258 N299 S300 F307H141-V303 HydrophobicContact CB-CB 4.29Å; H141-V303 HydrophobicContact CB-CG1 3.89Å; H141-V303 HydrophobicContact CB-CG2 3.77Å; N143-V303 WeakPolarHBondContact ND2-CG1 3.44Å; N143-V303 PolarHBondContact ND2-O 3.46Å; I241-V303 HydrophobicContact CD1-CG2 4.17Å; C258-V303 HydrophobicContact CB-CG1 4.24Å; N299-V303 WeakPolarHBondContact O-CG2 3.47Å; N299-V303 PolarHBondContact O-N 3.22Å; S300-V303 PolarHBondContact O-N 3.18Å; V303-F307 PolarHBondContact O-N 2.81Å; V303-F307 VanDerWaalsContact O-N 3.15Å
304A98Very high95.6Very high0 Ų029.9 Ų29.90%014%0.138CC..Hα-helixtrans-66.7-40.3171.800000111.5M183 I287 I291 F296 S300 A301 L302 D306 F307 L308M183-A304 HydrophobicContact SD-CB 4.43Å; I287-A304 HydrophobicContact CG2-CB 4.14Å; I291-A304 HydrophobicContact CG2-CB 3.79Å; F296-A304 HydrophobicContact CZ-CB 4.45Å; S300-A304 PolarHBondContact O-N 3.12Å; A301-A304 PolarHBondContact O-N 3.11Å; L302-A304 VanDerWaalsContact C-N 3.35Å; A304-D306 PolarHBondContact O-N 3.23Å; A304-F307 WeakPolarHBondContact O-CB 3.17Å; A304-F307 PolarHBondContact O-N 2.78Å; A304-L308 WeakPolarHBondContact O-CG 3.16Å; A304-L308 PolarHBondContact O-N 3.15Å
305L95.7Very high95.2Very high0 Ų027 Ų270%013%0.127CC..Hα-helixtrans-61.7-42.1175.5177.560.8000112.3L9 V13 I291 A301 L302 F307 L308 Y309 I314 V325 M329L9-L305 HydrophobicContact CD2-CD1 3.58Å; L9-L305 HydrophobicContact CD2-CD2 3.7Å; L9-L305 HydrophobicContact CD2-CG 4.28Å; V13-L305 HydrophobicContact CG2-CD2 4.06Å; I291-L305 HydrophobicContact CD1-CD1 4.11Å; A301-L305 VanDerWaalsContact O-CB 3.3Å; A301-L305 WeakPolarHBondContact O-CB 3.4Å; A301-L305 PolarHBondContact O-N 3.26Å; L302-L305 WeakPolarHBondContact O-CB 3.46Å; L302-L305 PolarHBondContact O-N 2.98Å; L305-F307 VanDerWaalsContact C-N 3.34Å; L305-F307 PolarHBondContact O-N 3.13Å; L305-L308 WeakPolarHBondContact O-CB 3.45Å; L305-L308 PolarHBondContact O-N 3.01Å; L305-L308 VanDerWaalsContact O-N 3.16Å; L305-Y309 HydrophobicContact CD1-CD2 3.87Å; L305-Y309 HydrophobicContact CD1-CE2 3.4Å; L305-Y309 VanDerWaalsContact CD1-CE2 3.4Å; L305-Y309 HydrophobicContact CD2-CE2 4.08Å; L305-Y309 HydrophobicContact CG-CD2 3.89Å; L305-Y309 HydrophobicContact CG-CE2 3.58Å; L305-Y309 WeakPolarHBondContact O-CD2 3.5Å; L305-Y309 PolarHBondContact O-N 2.87Å; L305-I314 HydrophobicContact CD1-CD1 3.72Å; L305-V325 HydrophobicContact CD2-CG1 4.01Å; L305-M329 HydrophobicContact CB-CE 4.49Å; L305-M329 HydrophobicContact CD2-CE 4.47Å; L305-M329 HydrophobicContact CD2-SD 3.72Å; L305-M329 HydrophobicContact CG-CE 4.41Å; L305-M329 HydrophobicContact CG-SD 4.1Å
306D96.5Very high94.6Very high2 Ų227.9 Ų27.91%0.01113%0.13CC..Hα-helixtrans-57.1-46.8172.7159.572.9000111.5N239 I241 L302 A304 L308 Y309 R310 M329N239-D306 PolarHBondContact ND2-OD1 2.94Å; I241-D306 HydrophobicContact CD1-CB 3.82Å; L302-D306 PolarHBondContact O-N 3.46Å; A304-D306 PolarHBondContact O-N 3.23Å; D306-L308 VanDerWaalsContact C-N 3.31Å; D306-L308 PolarHBondContact O-N 2.98Å; D306-Y309 PolarHBondContact O-N 3.44Å; D306-R310 WeakPolarHBondContact O-CB 3.39Å; D306-R310 WeakPolarHBondContact O-CG 3.44Å; D306-R310 PolarHBondContact O-N 2.98Å; D306-R310 WeakPolarHBondContact OD1-CD 3.34Å; D306-R310 IonicContact OD1-NE 3Å; D306-R310 PolarHBondContact OD1-NE 3Å; D306-R310 VanDerWaalsContact OD1-NE 3.08Å; D306-R310 IonicContact OD2-CZ 3.55Å; D306-R310 IonicContact OD2-NE 3.44Å; D306-R310 PolarHBondContact OD2-NE 3.48Å; D306-R310 IonicContact OD2-NH2 3.83Å; D306-R310 PolarHBondContact OD2-NH2 2.85Å; D306-M329 HydrophobicContact CB-CE 3.71Å
307F97.5Very high93.8Very high0 Ų034.1 Ų34.10%016%0.163CC..Hα-helixtrans-55.7-45.3173.6-176.9-81.3000112.1N143 F145 L173 M183 D260 I284 V303 A304 L305 Y309 H311 F313N143-F307 HydrophobicContact CB-CD2 4.05Å; F145-F307 HydrophobicContact CB-CZ 4.4Å; F145-F307 AromaticContact CD1-CE2 3.89Å; F145-F307 HydrophobicContact CD1-CE2 3.89Å; F145-F307 HydrophobicContact CD1-CZ 4.31Å; F145-F307 HydrophobicContact CD2-CZ 4.4Å; F145-F307 HydrophobicContact CE1-CE2 4.25Å; F145-F307 HydrophobicContact CG-CE2 4.16Å; F145-F307 HydrophobicContact CG-CZ 4.12Å; L173-F307 HydrophobicContact CD1-CE2 4.36Å; L173-F307 HydrophobicContact CD1-CZ 3.7Å; M183-F307 HydrophobicContact CE-CB 4.14Å; M183-F307 HydrophobicContact CE-CD1 3.63Å; M183-F307 HydrophobicContact CE-CD2 4.08Å; M183-F307 HydrophobicContact CE-CE1 4.01Å; M183-F307 HydrophobicContact CE-CE2 4.41Å; M183-F307 HydrophobicContact CE-CG 3.68Å; M183-F307 HydrophobicContact CE-CZ 4.38Å; D260-F307 WeakPolarHBondContact OD1-CD2 3.26Å; I284-F307 HydrophobicContact CD1-CD1 4.05Å; I284-F307 HydrophobicContact CD1-CE1 3.59Å; I284-F307 HydrophobicContact CG1-CE1 4.38Å; V303-F307 PolarHBondContact O-N 2.81Å; V303-F307 VanDerWaalsContact O-N 3.15Å; A304-F307 WeakPolarHBondContact O-CB 3.17Å; A304-F307 PolarHBondContact O-N 2.78Å; L305-F307 VanDerWaalsContact C-N 3.34Å; L305-F307 PolarHBondContact O-N 3.13Å; F307-Y309 PolarHBondContact O-N 3.29Å; F307-H311 AromaticContact CD1-CD2 3.88Å; F307-H311 AromaticContact CD2-CD2 3.47Å; F307-H311 VanDerWaalsContact CD2-CD2 3.47Å; F307-H311 WeakPolarHBondContact CD2-CD2 3.44Å; F307-H311 AromaticContact CD2-NE2 3.75Å; F307-H311 AromaticContact CE1-CD2 3.77Å; F307-H311 AromaticContact CE2-CD2 3.36Å; F307-H311 WeakPolarHBondContact CE2-CD2 3.14Å; F307-H311 AromaticContact CE2-NE2 3.47Å; F307-H311 WeakPolarHBondContact CE2-NE2 3.34Å; F307-H311 AromaticContact CG-CD2 3.73Å; F307-H311 AromaticContact CZ-CD2 3.51Å; F307-H311 AromaticContact CZ-NE2 3.95Å; F307-H311 WeakPolarHBondContact O-CB 3.47Å; F307-H311 PolarHBondContact O-CD2 3.26Å; F307-H311 PolarHBondContact O-N 2.78Å; F307-F313 HydrophobicContact CD1-CD2 4.43Å; F307-F313 HydrophobicContact CE1-CD2 4.09Å; F307-F313 AromaticContact CE1-CE2 3.77Å; F307-F313 HydrophobicContact CE1-CE2 3.77Å
308L95.6Very high93Very high0 Ų036 Ų360%018%0.178CC..Hα-helixtrans-62.5-39.8179.6-64.5175.9000112.7I284 I287 K288 I291 A304 L305 D306 K312 F313 I314I284-L308 HydrophobicContact CD1-CD2 4.42Å; I284-L308 HydrophobicContact CG2-CD2 3.53Å; I287-L308 HydrophobicContact CG2-CD1 4.28Å; I287-L308 HydrophobicContact CG2-CD2 4.31Å; I287-L308 HydrophobicContact CG2-CG 4.48Å; K288-L308 HydrophobicContact CG-CD1 3.92Å; K288-L308 HydrophobicContact CG-CD2 4Å; I291-L308 HydrophobicContact CD1-CD1 4.14Å; A304-L308 WeakPolarHBondContact O-CG 3.16Å; A304-L308 PolarHBondContact O-N 3.15Å; L305-L308 WeakPolarHBondContact O-CB 3.45Å; L305-L308 PolarHBondContact O-N 3.01Å; L305-L308 VanDerWaalsContact O-N 3.16Å; D306-L308 VanDerWaalsContact C-N 3.31Å; D306-L308 PolarHBondContact O-N 2.98Å; L308-K312 PolarHBondContact O-N 3.1Å; L308-F313 HydrophobicContact CB-CB 4.44Å; L308-F313 HydrophobicContact CD2-CB 3.84Å; L308-F313 HydrophobicContact CD2-CD2 4.37Å; L308-F313 HydrophobicContact CD2-CG 4.46Å; L308-F313 PolarHBondContact O-N 3.02Å; L308-I314 HydrophobicContact CB-CD1 3.8Å; L308-I314 HydrophobicContact CB-CG1 4Å; L308-I314 HydrophobicContact CD1-CD1 3.74Å; L308-I314 HydrophobicContact CD1-CG1 4.35Å; L308-I314 HydrophobicContact CG-CD1 4.43Å; L308-I314 PolarHBondContact O-N 3.2Å; L308-I314 VanDerWaalsContact O-N 3.12Å
309Y93.7Very high92.3Very high18 Ų1834.5 Ų34.57%0.07117%0.168CC..Hα-helixtrans-72.7-49.4176.4-75.5-58.4000112.2L305 D306 F307 H311 K312 I314 D319 H322 V325L305-Y309 HydrophobicContact CD1-CD2 3.87Å; L305-Y309 HydrophobicContact CD1-CE2 3.4Å; L305-Y309 VanDerWaalsContact CD1-CE2 3.4Å; L305-Y309 HydrophobicContact CD2-CE2 4.08Å; L305-Y309 HydrophobicContact CG-CD2 3.89Å; L305-Y309 HydrophobicContact CG-CE2 3.58Å; L305-Y309 WeakPolarHBondContact O-CD2 3.5Å; L305-Y309 PolarHBondContact O-N 2.87Å; D306-Y309 PolarHBondContact O-N 3.44Å; F307-Y309 PolarHBondContact O-N 3.29Å; Y309-H311 VanDerWaalsContact C-N 3.28Å; Y309-H311 PolarHBondContact O-N 3.43Å; Y309-K312 PolarHBondContact O-N 2.89Å; Y309-I314 HydrophobicContact CD1-CB 3.94Å; Y309-I314 HydrophobicContact CD1-CG2 3.87Å; Y309-I314 HydrophobicContact CE1-CB 3.95Å; Y309-I314 HydrophobicContact CE1-CG2 3.39Å; Y309-D319 PolarHBondContact OH-OD2 2.74Å; Y309-H322 AromaticContact CD1-CD2 3.58Å; Y309-H322 AromaticContact CD1-NE2 3.91Å; Y309-H322 AromaticContact CE1-CD2 3.4Å; Y309-H322 WeakPolarHBondContact CE1-CD2 3.42Å; Y309-H322 AromaticContact CZ-CD2 3.83Å; Y309-V325 HydrophobicContact CE2-CG1 3.83Å
310R95.2Very high91.6Very high68 Ų6839.3 Ų39.326%0.25720%0.2SC..Hα-helixtrans-58-41.7-178.9-76.3-172.7-66.3100.5-1.9112.1V238 D260 D306 K312V238-R310 VanDerWaalsContact CG2-CZ 3.47Å; D260-R310 IonicContact OD1-CZ 2.88Å; D260-R310 IonicContact OD1-NH1 2.61Å; D260-R310 IonicContact OD1-NH2 2.63Å; D260-R310 PolarHBondContact OD1-NH2 2.95Å; D260-R310 IonicContact OD2-CZ 3.44Å; D260-R310 IonicContact OD2-NH1 2.64Å; D260-R310 PolarHBondContact OD2-NH1 3.17Å; D260-R310 IonicContact OD2-NH2 3.13Å; D260-R310 PolarHBondContact OD2-NH2 3.16Å; D306-R310 WeakPolarHBondContact O-CB 3.39Å; D306-R310 WeakPolarHBondContact O-CG 3.44Å; D306-R310 PolarHBondContact O-N 2.98Å; D306-R310 WeakPolarHBondContact OD1-CD 3.34Å; D306-R310 IonicContact OD1-NE 3Å; D306-R310 PolarHBondContact OD1-NE 3Å; D306-R310 VanDerWaalsContact OD1-NE 3.08Å; D306-R310 IonicContact OD2-CZ 3.55Å; D306-R310 IonicContact OD2-NE 3.44Å; D306-R310 PolarHBondContact OD2-NE 3.48Å; D306-R310 IonicContact OD2-NH2 3.83Å; D306-R310 PolarHBondContact OD2-NH2 2.85Å; R310-K312 VanDerWaalsContact C-N 3.33Å
311H95Very high91Very high35 Ų3542.2 Ų42.216%0.16221%0.211CC..THydrogen-bonded Turntrans-90.47.7179.1-66-65.6000113.9L173 A174 D260 F307 Y309 F313L173-H311 HydrophobicContact CB-CB 4Å; L173-H311 HydrophobicContact CD1-CB 4.46Å; A174-H311 WeakPolarHBondContact CA-O 3.44Å; A174-H311 WeakPolarHBondContact CB-O 3.44Å; A174-H311 PolarHBondContact N-O 2.83Å; D260-H311 IonicContact OD2-CD2 3.43Å; D260-H311 IonicContact OD2-CE1 3.52Å; D260-H311 IonicContact OD2-NE2 3.59Å; D260-H311 PolarHBondContact OD2-NE2 2.98Å; F307-H311 AromaticContact CD1-CD2 3.88Å; F307-H311 AromaticContact CD2-CD2 3.47Å; F307-H311 VanDerWaalsContact CD2-CD2 3.47Å; F307-H311 WeakPolarHBondContact CD2-CD2 3.44Å; F307-H311 AromaticContact CD2-NE2 3.75Å; F307-H311 AromaticContact CE1-CD2 3.77Å; F307-H311 AromaticContact CE2-CD2 3.36Å; F307-H311 WeakPolarHBondContact CE2-CD2 3.14Å; F307-H311 AromaticContact CE2-NE2 3.47Å; F307-H311 WeakPolarHBondContact CE2-NE2 3.34Å; F307-H311 AromaticContact CG-CD2 3.73Å; F307-H311 AromaticContact CZ-CD2 3.51Å; F307-H311 AromaticContact CZ-NE2 3.95Å; F307-H311 WeakPolarHBondContact O-CB 3.47Å; F307-H311 PolarHBondContact O-CD2 3.26Å; F307-H311 PolarHBondContact O-N 2.78Å; Y309-H311 VanDerWaalsContact C-N 3.28Å; Y309-H311 PolarHBondContact O-N 3.43Å; H311-F313 VanDerWaalsContact C-N 3.28Å; H311-F313 HydrophobicContact CB-CD2 3.73Å; H311-F313 HydrophobicContact CB-CE2 3.61Å; H311-F313 PolarHBondContact O-N 2.95Å
312K93.1Very high90.6Very high149 Ų14944.2 Ų44.265%0.64822%0.221SC*.THydrogen-bonded Turntrans60.328.2174.8-48.6-179.8-178.7176.70115.1A174 L308 Y309 R310 I314A174-K312 HydrophobicContact CB-CB 3.81Å; A174-K312 HydrophobicContact CB-CD 3.95Å; A174-K312 HydrophobicContact CB-CG 4.16Å; L308-K312 PolarHBondContact O-N 3.1Å; Y309-K312 PolarHBondContact O-N 2.89Å; R310-K312 VanDerWaalsContact C-N 3.33Å; K312-I314 VanDerWaalsContact C-N 3.29Å
313F92.9Very high90.3Very high18 Ų1847.9 Ų47.98%0.07925%0.251CS..SBendtrans-76.5-21169-65.6-62.9000112.7L173 P178 V181 I284 K288 F307 L308 H311L173-F313 HydrophobicContact CB-CE2 4.12Å; L173-F313 HydrophobicContact CB-CZ 3.95Å; P178-F313 HydrophobicContact CB-CD1 4Å; P178-F313 HydrophobicContact CB-CE1 4.23Å; V181-F313 HydrophobicContact CB-CZ 4.24Å; V181-F313 HydrophobicContact CG1-CZ 4.4Å; V181-F313 HydrophobicContact CG2-CE1 4.47Å; V181-F313 HydrophobicContact CG2-CZ 3.91Å; I284-F313 HydrophobicContact CG1-CD2 4.42Å; I284-F313 HydrophobicContact CG1-CE2 4.15Å; I284-F313 HydrophobicContact CG1-CZ 4.35Å; I284-F313 HydrophobicContact CG2-CB 3.79Å; I284-F313 HydrophobicContact CG2-CD1 3.8Å; I284-F313 HydrophobicContact CG2-CD2 3.74Å; I284-F313 HydrophobicContact CG2-CE1 4.27Å; I284-F313 HydrophobicContact CG2-CE2 4.21Å; I284-F313 HydrophobicContact CG2-CG 3.51Å; I284-F313 HydrophobicContact CG2-CZ 4.46Å; K288-F313 PolarHBondContact NZ-O 3.36Å; F307-F313 HydrophobicContact CD1-CD2 4.43Å; F307-F313 HydrophobicContact CE1-CD2 4.09Å; F307-F313 AromaticContact CE1-CE2 3.77Å; F307-F313 HydrophobicContact CE1-CE2 3.77Å; L308-F313 HydrophobicContact CB-CB 4.44Å; L308-F313 HydrophobicContact CD2-CB 3.84Å; L308-F313 HydrophobicContact CD2-CD2 4.37Å; L308-F313 HydrophobicContact CD2-CG 4.46Å; L308-F313 PolarHBondContact O-N 3.02Å; H311-F313 VanDerWaalsContact C-N 3.28Å; H311-F313 HydrophobicContact CB-CD2 3.73Å; H311-F313 HydrophobicContact CB-CE2 3.61Å; H311-F313 PolarHBondContact O-N 2.95Å
314I90.3Very high90Very high19 Ų1951.1 Ų51.110%0.09727%0.266CS..SBendtrans-111.3121.3158-63.4169.9000106.8L305 L308 Y309 K312 K316L305-I314 HydrophobicContact CD1-CD1 3.72Å; L308-I314 HydrophobicContact CB-CD1 3.8Å; L308-I314 HydrophobicContact CB-CG1 4Å; L308-I314 HydrophobicContact CD1-CD1 3.74Å; L308-I314 HydrophobicContact CD1-CG1 4.35Å; L308-I314 HydrophobicContact CG-CD1 4.43Å; L308-I314 PolarHBondContact O-N 3.2Å; L308-I314 VanDerWaalsContact O-N 3.12Å; Y309-I314 HydrophobicContact CD1-CB 3.94Å; Y309-I314 HydrophobicContact CD1-CG2 3.87Å; Y309-I314 HydrophobicContact CE1-CB 3.95Å; Y309-I314 HydrophobicContact CE1-CG2 3.39Å; K312-I314 VanDerWaalsContact C-N 3.29Å; I314-K316 PolarHBondContact O-N 3.31Å
315D83.9Confident89.8Confident80 Ų8051.2 Ų51.243%0.42827%0.267SS..  trans-76.1119.2174.6177.115.6000109.5D317 S318 D319D315-D317 PolarHBondContact O-N 2.93Å; D315-D317 PolarHBondContact OD1-N 3Å; D315-S318 PolarHBondContact O-N 2.87Å; D315-S318 VanDerWaalsContact O-N 3.1Å; D315-S318 PolarHBondContact O-OG 2.91Å; D315-D319 PolarHBondContact O-N 3.4Å
316K82.4Confident89.7Confident119 Ų11953.1 Ų53.152%0.51728%0.275SS..THydrogen-bonded Turntrans-57.7-31.2176.362.4168-166.6171.10112.8I314 S318 D319 H322I314-K316 PolarHBondContact O-N 3.31Å; K316-S318 VanDerWaalsContact C-N 3.29Å; K316-D319 PolarHBondContact O-N 2.69Å; K316-H322 HydrophobicContact CB-CB 4.39Å
317D80.9Confident89.6Confident131 Ų13156.3 Ų56.370%0.70130%0.298SS*.THydrogen-bonded Turntrans-80.6-19.6-177-61.6-31.2000110.7D315D315-D317 PolarHBondContact O-N 2.93Å; D315-D317 PolarHBondContact OD1-N 3Å
318S79.6Confident89.5Confident61 Ų6157.2 Ų57.243%0.42730%0.303SS..THydrogen-bonded Turntrans-84-15.1171.780.10000113.8D315 K316 P320D315-S318 PolarHBondContact O-N 2.87Å; D315-S318 VanDerWaalsContact O-N 3.1Å; D315-S318 PolarHBondContact O-OG 2.91Å; K316-S318 VanDerWaalsContact C-N 3.29Å; S318-P320 WeakPolarHBondContact O-CD 3.41Å
319D80.3Confident89.6Confident5 Ų557.2 Ų57.23%0.02730%0.303CS..  trans-104.398.8-179.5-177.70.9000111F6 Y309 D315 K316 R321 H322F6-D319 HydrophobicContact CD1-CB 3.83Å; F6-D319 VanDerWaalsContact CD1-OD1 3.29Å; F6-D319 WeakPolarHBondContact CD1-OD1 3.5Å; F6-D319 HydrophobicContact CE1-CB 3.47Å; F6-D319 VanDerWaalsContact CE1-CB 3.47Å; F6-D319 HydrophobicContact CZ-CB 4.23Å; Y309-D319 PolarHBondContact OH-OD2 2.74Å; D315-D319 PolarHBondContact O-N 3.4Å; K316-D319 PolarHBondContact O-N 2.69Å; D319-R321 PolarHBondContact O-N 2.83Å; D319-R321 WeakPolarHBondContact OD1-CA 3.36Å; D319-R321 PolarHBondContact OD1-N 3Å; D319-H322 HydrophobicContact CB-CB 4.05Å; D319-H322 VanDerWaalsContact O-CB 3.3Å; D319-H322 WeakPolarHBondContact O-CB 3.28Å; D319-H322 PolarHBondContact O-N 2.85Å; D319-H322 PolarHBondContact OD1-N 3.09Å
320P82.4Confident89.8Confident120 Ų12059.4 Ų59.478%0.77931%0.313SS*.THydrogen-bonded Turntrans-63.7-11.7-179.627.4-35.5000113.5S318S318-P320 WeakPolarHBondContact O-CD 3.41Å
321R84.6Confident89.9Confident61 Ų6157 Ų5723%0.2331%0.306CS..THydrogen-bonded Turntrans-1076.1177.7-61.2-174-175.51662.9113F7 D319 A323 E324 V325F7-R321 VanDerWaalsContact CZ-NH2 3.26Å; D319-R321 PolarHBondContact O-N 2.83Å; D319-R321 WeakPolarHBondContact OD1-CA 3.36Å; D319-R321 PolarHBondContact OD1-N 3Å; R321-A323 VanDerWaalsContact C-N 3.26Å; R321-A323 PolarHBondContact O-N 3.26Å; R321-E324 WeakPolarHBondContact O-CA 3.29Å; R321-E324 WeakPolarHBondContact O-CB 3.23Å; R321-E324 PolarHBondContact O-N 3.48Å; R321-V325 HydrophobicContact CB-CG2 4.42Å; R321-V325 WeakPolarHBondContact O-CG2 3.31Å; R321-V325 PolarHBondContact O-N 3.14Å
322H89.6Confident89.9Confident43 Ų4362.5 Ų62.520%0.19934%0.336CS..Hα-helixtrans-49.2-47.7-179174.3-108.4000112.1Y309 K316 D319 E324 V325 Q326Y309-H322 AromaticContact CD1-CD2 3.58Å; Y309-H322 AromaticContact CD1-NE2 3.91Å; Y309-H322 AromaticContact CE1-CD2 3.4Å; Y309-H322 WeakPolarHBondContact CE1-CD2 3.42Å; Y309-H322 AromaticContact CZ-CD2 3.83Å; K316-H322 HydrophobicContact CB-CB 4.39Å; D319-H322 HydrophobicContact CB-CB 4.05Å; D319-H322 VanDerWaalsContact O-CB 3.3Å; D319-H322 WeakPolarHBondContact O-CB 3.28Å; D319-H322 PolarHBondContact O-N 2.85Å; D319-H322 PolarHBondContact OD1-N 3.09Å; H322-E324 PolarHBondContact O-N 3Å; H322-V325 PolarHBondContact O-N 2.89Å; H322-Q326 WeakPolarHBondContact NE2-CG 3.49Å; H322-Q326 PolarHBondContact NE2-NE2 3.03Å; H322-Q326 WeakPolarHBondContact O-CB 3.43Å; H322-Q326 WeakPolarHBondContact O-CG 3.45Å; H322-Q326 PolarHBondContact O-N 3.14Å
323A91.3Very high90.1Very high77 Ų7756.2 Ų56.264%0.63631%0.31SS*.Hα-helixtrans-63.2-39179.300000113.4R321 S327R321-A323 VanDerWaalsContact C-N 3.26Å; R321-A323 PolarHBondContact O-N 3.26Å; A323-S327 WeakPolarHBondContact O-CB 3.41Å; A323-S327 PolarHBondContact O-N 3.4Å
324E91.8Very high90Very high68 Ų6858.1 Ų58.132%0.31832%0.324SS..Hα-helixtrans-64.7-49.2174.5-178.3-171.8-176.400110R10 R321 H322 Q326 S327 L328R10-E324 WeakPolarHBondContact CD-OE1 3.33Å; R10-E324 IonicContact CZ-OE1 3.84Å; R10-E324 IonicContact NE-OE1 2.85Å; R10-E324 PolarHBondContact NE-OE1 3.29Å; R10-E324 IonicContact NH2-OE1 2.6Å; R321-E324 WeakPolarHBondContact O-CA 3.29Å; R321-E324 WeakPolarHBondContact O-CB 3.23Å; R321-E324 PolarHBondContact O-N 3.48Å; H322-E324 PolarHBondContact O-N 3Å; E324-Q326 PolarHBondContact O-N 2.78Å; E324-S327 PolarHBondContact O-N 2.9Å; E324-S327 VanDerWaalsContact O-N 3.16Å; E324-S327 PolarHBondContact O-OG 2.91Å; E324-L328 HydrophobicContact CG-CD1 4.04Å; E324-L328 WeakPolarHBondContact O-CG 3.34Å; E324-L328 PolarHBondContact O-N 3.21Å
325V92.8Very high90.1Very high2 Ų259 Ų591%0.01233%0.327CS..Hα-helixtrans-57.3-48.2178.8170.40000110.8L9 V13 L305 Y309 R321 H322 S327 L328 M329L9-V325 HydrophobicContact CB-CG2 4.32Å; V13-V325 HydrophobicContact CG2-CG1 4.07Å; L305-V325 HydrophobicContact CD2-CG1 4.01Å; Y309-V325 HydrophobicContact CE2-CG1 3.83Å; R321-V325 HydrophobicContact CB-CG2 4.42Å; R321-V325 WeakPolarHBondContact O-CG2 3.31Å; R321-V325 PolarHBondContact O-N 3.14Å; H322-V325 PolarHBondContact O-N 2.89Å; V325-S327 PolarHBondContact O-N 3.1Å; V325-L328 CarbonylContact O-C 3.54Å; V325-L328 PolarHBondContact O-N 2.98Å; V325-L328 VanDerWaalsContact O-N 3.16Å; V325-M329 HydrophobicContact CG1-CG 4.43Å; V325-M329 HydrophobicContact CG1-SD 3.78Å; V325-M329 WeakPolarHBondContact O-CG 3.29Å; V325-M329 PolarHBondContact O-N 2.84Å
326Q94.4Very high90.2Very high40 Ų4060 Ų6019%0.18733%0.333CS..Hα-helixtrans-59.7-45.4176.1-70-64.8-33.500111.5H322 E324 L328 M329 H330H322-Q326 WeakPolarHBondContact NE2-CG 3.49Å; H322-Q326 PolarHBondContact NE2-NE2 3.03Å; H322-Q326 WeakPolarHBondContact O-CB 3.43Å; H322-Q326 WeakPolarHBondContact O-CG 3.45Å; H322-Q326 PolarHBondContact O-N 3.14Å; E324-Q326 PolarHBondContact O-N 2.78Å; Q326-L328 PolarHBondContact O-N 3.18Å; Q326-M329 PolarHBondContact O-N 3.39Å; Q326-M329 VanDerWaalsContact O-N 3.11Å; Q326-H330 WeakPolarHBondContact O-CB 3.41Å; Q326-H330 PolarHBondContact O-CD2 2.93Å; Q326-H330 PolarHBondContact O-N 3.09Å
327S95.1Very high90.6Very high68 Ų6857 Ų5748%0.47632%0.323SS..Hα-helixtrans-61.7-31.5177.4740000113.5A323 E324 V325 H330 V331A323-S327 WeakPolarHBondContact O-CB 3.41Å; A323-S327 PolarHBondContact O-N 3.4Å; E324-S327 PolarHBondContact O-N 2.9Å; E324-S327 VanDerWaalsContact O-N 3.16Å; E324-S327 PolarHBondContact O-OG 2.91Å; V325-S327 PolarHBondContact O-N 3.1Å; S327-H330 CarbonylContact O-C 3.53Å; S327-V331 PolarHBondContact O-N 2.84Å
328L95.7Very high91.1Very high20 Ų2053.1 Ų53.111%0.10530%0.303CS..Hα-helixtrans-83.9-20.3177.1-67.4171.5000112.9V13 L14 N18 L21 E324 V325 Q326 H330V13-L328 HydrophobicContact CB-CB 4.3Å; V13-L328 HydrophobicContact CG1-CB 3.44Å; V13-L328 VanDerWaalsContact CG1-CB 3.44Å; L14-L328 HydrophobicContact CB-CD1 4.16Å; L14-L328 HydrophobicContact CD1-CD1 4.3Å; L14-L328 HydrophobicContact CD1-CD2 3.93Å; N18-L328 PolarHBondContact ND2-O 3.24Å; L21-L328 HydrophobicContact CD1-CD2 4.33Å; E324-L328 HydrophobicContact CG-CD1 4.04Å; E324-L328 WeakPolarHBondContact O-CG 3.34Å; E324-L328 PolarHBondContact O-N 3.21Å; V325-L328 CarbonylContact O-C 3.54Å; V325-L328 PolarHBondContact O-N 2.98Å; V325-L328 VanDerWaalsContact O-N 3.16Å; Q326-L328 PolarHBondContact O-N 3.18Å; L328-H330 VanDerWaalsContact C-N 3.34Å
329M96.8Very high91.7Very high0 Ų052.7 Ų52.70%030%0.297CS..Hα-helixtrans-84.2-13.8169.7-69.4175.965.300112.3V13 I241 S242 L302 L305 D306 V325 Q326V13-M329 HydrophobicContact CG1-CG 3.75Å; V13-M329 HydrophobicContact CG2-CG 4.38Å; I241-M329 CarbonylContact C-O 3.57Å; I241-M329 WeakPolarHBondContact CA-O 3.36Å; I241-M329 HydrophobicContact CD1-CE 3.68Å; I241-M329 HydrophobicContact CG1-CE 4.17Å; I241-M329 WeakPolarHBondContact CG2-O 3.25Å; S242-M329 PolarHBondContact N-O 2.85Å; S242-M329 CarbonylContact O-C 2.95Å; L302-M329 HydrophobicContact CB-CE 4.43Å; L302-M329 HydrophobicContact CD2-CG 4.43Å; L302-M329 VanDerWaalsContact O-CE 3.28Å; L302-M329 WeakPolarHBondContact O-CE 3.47Å; L305-M329 HydrophobicContact CB-CE 4.49Å; L305-M329 HydrophobicContact CD2-CE 4.47Å; L305-M329 HydrophobicContact CD2-SD 3.72Å; L305-M329 HydrophobicContact CG-CE 4.41Å; L305-M329 HydrophobicContact CG-SD 4.1Å; D306-M329 HydrophobicContact CB-CE 3.71Å; V325-M329 HydrophobicContact CG1-CG 4.43Å; V325-M329 HydrophobicContact CG1-SD 3.78Å; V325-M329 WeakPolarHBondContact O-CG 3.29Å; V325-M329 PolarHBondContact O-N 2.84Å; Q326-M329 PolarHBondContact O-N 3.39Å; Q326-M329 VanDerWaalsContact O-N 3.11Å
330H97.5Very high92.4Very high64 Ų6455.5 Ų55.530%0.29631%0.312SS..BIsolated β-bridgetrans-129.952-179.3-61.4-72.7000110.3N239 Q240 S242 Q326 S327 L328 N332N239-H330 PolarHBondContact ND2-CE1 2.6Å; N239-H330 PolarHBondContact OD1-CE1 3.29Å; Q240-H330 PolarHBondContact O-CE1 2.84Å; Q240-H330 PolarHBondContact O-ND1 3.44Å; S242-H330 VanDerWaalsContact OG-C 3.24Å; S242-H330 WeakPolarHBondContact OG-CA 3.34Å; Q326-H330 WeakPolarHBondContact O-CB 3.41Å; Q326-H330 PolarHBondContact O-CD2 2.93Å; Q326-H330 PolarHBondContact O-N 3.09Å; S327-H330 CarbonylContact O-C 3.53Å; L328-H330 VanDerWaalsContact C-N 3.34Å; H330-N332 PolarHBondContact O-N 2.96Å
331V97.3Very high93Very high16 Ų1651.4 Ų51.410%0.09728%0.283CS..  trans-62.7125.5177.9174.90000109.4N18 L21 S242 I244 S327 L333N18-V331 WeakPolarHBondContact OD1-CG2 3.39Å; L21-V331 HydrophobicContact CD1-CG1 4.12Å; L21-V331 HydrophobicContact CD1-CG2 3.86Å; S242-V331 WeakPolarHBondContact CB-O 3.18Å; S242-V331 WeakPolarHBondContact O-CB 3.49Å; S242-V331 PolarHBondContact O-N 2.73Å; S242-V331 PolarHBondContact OG-N 2.83Å; S242-V331 VanDerWaalsContact OG-N 3.1Å; S242-V331 PolarHBondContact OG-O 2.89Å; I244-V331 HydrophobicContact CG2-CG1 4.28Å; S327-V331 PolarHBondContact O-N 2.84Å; V331-L333 HydrophobicContact CG1-CD2 4.35Å; V331-L333 PolarHBondContact O-N 2.74Å; V331-L333 VanDerWaalsContact O-N 3.09Å
332N95.6Very high93.6Very high151 Ų15150.8 Ų50.881%0.80729%0.287SS*.  trans-70.9105.6169.8-168.59.6000108.9H330H330-N332 PolarHBondContact O-N 2.96Å
333L96Very high93.8Very high18 Ų1851.4 Ų51.49%0.09429%0.293CS..  trans-69.7136.1177.5-62.4-179.6000108.8T136 I244 P253 I255 V331 F335T136-L333 HydrophobicContact CG2-CD1 3.95Å; I244-L333 HydrophobicContact CB-CD2 3.91Å; I244-L333 HydrophobicContact CD1-CD2 4.47Å; I244-L333 HydrophobicContact CG2-CD2 4.25Å; P253-L333 HydrophobicContact CB-CD1 3.9Å; P253-L333 HydrophobicContact CB-CD2 4.04Å; I255-L333 HydrophobicContact CD1-CD1 4.18Å; I255-L333 HydrophobicContact CG1-CD1 3.96Å; V331-L333 HydrophobicContact CG1-CD2 4.35Å; V331-L333 PolarHBondContact O-N 2.74Å; V331-L333 VanDerWaalsContact O-N 3.09Å; L333-F335 HydrophobicContact CB-CD2 3.73Å; L333-F335 HydrophobicContact CB-CE2 3.98Å; L333-F335 HydrophobicContact CD1-CD2 4.31Å; L333-F335 HydrophobicContact CD1-CE2 4.22Å; L333-F335 HydrophobicContact CG-CE2 4.5Å; L333-F335 PolarHBondContact O-N 2.93Å
334P91.9Very high94Very high58 Ų5849.4 Ų49.438%0.37727%0.267SS..  trans-80.423-169.336-38.9000113.6F39 F42F39-P334 WeakPolarHBondContact CD1-O 3.39Å; F39-P334 HydrophobicContact CE1-CB 3.98Å; F39-P334 HydrophobicContact CE1-CG 3.88Å; F39-P334 WeakPolarHBondContact CE1-O 3.47Å; F39-P334 HydrophobicContact CZ-CG 4.33Å; F42-P334 HydrophobicContact CE2-CG 3.67Å; F42-P334 HydrophobicContact CZ-CG 3.77Å
335F92.7Very high94.2Very high36 Ų3647.8 Ų47.816%0.15826%0.262CS..  trans-93.6155.9-174.2-51.9-50000111.6F39 F42 T136 P253 L333F39-F335 HydrophobicContact CD1-CD1 4.23Å; F39-F335 HydrophobicContact CD2-CD1 4.17Å; F39-F335 HydrophobicContact CD2-CE1 4.48Å; F39-F335 HydrophobicContact CE1-CD1 4.06Å; F39-F335 HydrophobicContact CE1-CE1 4.28Å; F39-F335 HydrophobicContact CE2-CD1 4.01Å; F39-F335 AromaticContact CE2-CE1 3.9Å; F39-F335 HydrophobicContact CE2-CE1 3.9Å; F39-F335 HydrophobicContact CG-CD1 4.26Å; F39-F335 AromaticContact CZ-CD1 3.93Å; F39-F335 HydrophobicContact CZ-CD1 3.93Å; F39-F335 AromaticContact CZ-CE1 3.76Å; F39-F335 HydrophobicContact CZ-CE1 3.76Å; F39-F335 WeakPolarHBondContact O-CA 3.31Å; F39-F335 VanDerWaalsContact O-CB 3.22Å; F39-F335 WeakPolarHBondContact O-CB 3.5Å; F42-F335 AromaticContact CD2-CE1 3.68Å; F42-F335 HydrophobicContact CD2-CE1 3.68Å; F42-F335 AromaticContact CD2-CZ 3.74Å; F42-F335 HydrophobicContact CD2-CZ 3.74Å; F42-F335 AromaticContact CE2-CE1 3.69Å; F42-F335 HydrophobicContact CE2-CE1 3.69Å; F42-F335 AromaticContact CE2-CZ 3.88Å; F42-F335 HydrophobicContact CE2-CZ 3.88Å; T136-F335 WeakPolarHBondContact OG1-CD2 3.42Å; T136-F335 VanDerWaalsContact OG1-CE2 3.26Å; T136-F335 WeakPolarHBondContact OG1-CE2 3.13Å; P253-F335 HydrophobicContact CB-CE2 3.53Å; P253-F335 HydrophobicContact CB-CZ 4.03Å; P253-F335 HydrophobicContact CG-CE2 3.5Å; P253-F335 HydrophobicContact CG-CZ 3.5Å; L333-F335 HydrophobicContact CB-CD2 3.73Å; L333-F335 HydrophobicContact CB-CE2 3.98Å; L333-F335 HydrophobicContact CD1-CD2 4.31Å; L333-F335 HydrophobicContact CD1-CE2 4.22Å; L333-F335 HydrophobicContact CG-CE2 4.5Å; L333-F335 PolarHBondContact O-N 2.93Å
336D84.7Confident94.4Very high101 Ų10152 Ų5254%0.5429%0.285SS..  trans-82.50179.3-65.4-60.4000114.4Y38 F39Y38-D336 WeakPolarHBondContact CA-OD2 3Å; Y38-D336 HydrophobicContact CD1-CB 3.65Å; Y38-D336 HydrophobicContact CG-CB 4.34Å; F39-D336 WeakPolarHBondContact CB-OD2 3.22Å; F39-D336 PolarHBondContact N-OD2 2.58Å; F39-D336 PolarHBondContact O-N 2.75Å

Retrieved 336 of 336 residues in 700.3 ms (Link to these results)

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