A0A087YPM5_POEFO Loading...

Rab9 effector protein with kelch motifs

Rab9 effector required for endosome to trans-Golgi network (TGN) transport.

AlphaFold DB , UniProt , Accession A0A087YPM5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 350 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
1M44.6Very low85Confident205 Ų20595.9 Ų95.9100%1.0149%0.494SS*.  094.80-166.4176.3-76.500103.6F3M1-F3 VanDerWaalsContact O-CD2 3.32Å; M1-F3 WeakPolarHBondContact O-CD2 3.5Å; M1-F3 VanDerWaalsContact O-CE2 3.3Å; M1-F3 WeakPolarHBondContact O-CE2 3.46Å
2E53.2Low85.9Confident164 Ų16499.6 Ų99.677%0.76650%0.497SS*.PPolyproline II helixtrans-81.5135.4-178.9-72.8-179.7179.500107.4D289E2-D289 VanDerWaalsContact CB-OD2 3.32Å; E2-D289 WeakPolarHBondContact CB-OD2 3.45Å
3F81.3Confident86.7Confident172 Ų17292.5 Ų92.575%0.75446%0.463SS*.PPolyproline II helixtrans-99.7143.3-170.5-68.4-90000108.2M1M1-F3 VanDerWaalsContact O-CD2 3.32Å; M1-F3 WeakPolarHBondContact O-CD2 3.5Å; M1-F3 VanDerWaalsContact O-CE2 3.3Å; M1-F3 WeakPolarHBondContact O-CE2 3.46Å
4L94.9Very high87.4Confident24 Ų2496.1 Ų96.113%0.12647%0.474CS..PPolyproline II helixtrans-50.1138.9170.1-61.8176.3000109.5V6 W18 D289 P291 I345L4-V6 PolarHBondContact O-N 2.77Å; L4-W18 HydrophobicContact CD1-CB 4.31Å; L4-W18 HydrophobicContact CD2-CB 3.83Å; L4-D289 HydrophobicContact CD2-CB 4.39Å; L4-D289 VanDerWaalsContact CD2-O 3.27Å; L4-D289 WeakPolarHBondContact CD2-O 3.4Å; L4-P291 HydrophobicContact CD1-CB 4.28Å; L4-P291 HydrophobicContact CD1-CG 4.1Å; L4-I345 HydrophobicContact CD1-CB 4.32Å; L4-I345 HydrophobicContact CD1-CG2 3.61Å
5P96.7Very high88.1Confident64 Ų6497.3 Ų97.342%0.41648%0.477SS..PPolyproline II helixtrans-56138.8176.123.9-34.4000110.3I17 W18 Y19 S20P5-I17 HydrophobicContact CG-CG2 3.78Å; P5-W18 VanDerWaalsContact CD-O 3.31Å; P5-W18 WeakPolarHBondContact CD-O 3.27Å; P5-W18 WeakPolarHBondContact CG-O 3.27Å; P5-Y19 HydrophobicContact CB-CD1 4.03Å; P5-Y19 HydrophobicContact CB-CE1 4.3Å; P5-Y19 HydrophobicContact CG-CD1 3.76Å; P5-Y19 HydrophobicContact CG-CE1 4.04Å; P5-Y19 HydrophobicContact CG-CG 4.41Å; P5-Y19 CarbonylContact O-C 3.56Å; P5-Y19 WeakPolarHBondContact O-CA 3.19Å; P5-Y19 WeakPolarHBondContact O-CB 3.39Å; P5-S20 PolarHBondContact O-N 3.29Å
6V96.5Very high88.6Confident70 Ų7092.4 Ų92.442%0.42446%0.461SS..BIsolated β-bridgetrans-73.2133.5175179.40000108.6L4 S20L4-V6 PolarHBondContact O-N 2.77Å; V6-S20 WeakPolarHBondContact CA-O 3.47Å
7L96.8Very high89.2Confident3 Ų388.8 Ų88.82%0.01644%0.442CS..  trans-93.8106.5169.9-178.966.3000109.4D11 P13 Y19 S20 W304 L327 V346L7-D11 HydrophobicContact CD1-CB 3.82Å; L7-P13 HydrophobicContact CD1-CB 3.79Å; L7-P13 HydrophobicContact CD1-CG 4.39Å; L7-P13 HydrophobicContact CD2-CB 4.04Å; L7-P13 HydrophobicContact CD2-CG 4.32Å; L7-Y19 HydrophobicContact CB-CD1 3.93Å; L7-Y19 HydrophobicContact CB-CG 3.93Å; L7-Y19 HydrophobicContact CD1-CD1 4.29Å; L7-Y19 HydrophobicContact CD1-CE1 4.4Å; L7-S20 PolarHBondContact N-O 3.23Å; L7-W304 HydrophobicContact CD2-CD2 4.49Å; L7-W304 HydrophobicContact CD2-CH2 4.17Å; L7-W304 HydrophobicContact CD2-CZ2 3.93Å; L7-W304 HydrophobicContact CG-CH2 4.42Å; L7-W304 HydrophobicContact CG-CZ2 4.02Å; L7-L327 HydrophobicContact CD2-CD1 3.93Å; L7-V346 HydrophobicContact CD2-CG2 3.76Å
8D94.8Very high89.7Confident89 Ų8983.9 Ų83.948%0.47642%0.418SS..  trans-70.8147.2175.2-77.7-65.1000111.5L10 D11D8-L10 PolarHBondContact O-N 2.93Å; D8-D11 HydrophobicContact CB-CB 4.36Å; D8-D11 WeakPolarHBondContact O-CB 3.39Å; D8-D11 PolarHBondContact O-N 2.83Å
9P91.1Very high90.1Very high43 Ų4380.6 Ų80.628%0.27940%0.401SS..THydrogen-bonded Turntrans-49.4-26.4-179.5-36.641.2000117.3H72P9-H72 WeakPolarHBondContact CB-NE2 3.31Å; P9-H72 HydrophobicContact CG-CB 4.17Å; P9-H72 VanDerWaalsContact CG-CD2 3.48Å; P9-H72 WeakPolarHBondContact CG-CD2 3.34Å
10L90.8Very high90.5Very high147 Ų14778 Ų7877%0.7739%0.39SS*.THydrogen-bonded Turntrans-101.5-8.9-177.5-59.5-178.9000112.6D8D8-L10 PolarHBondContact O-N 2.93Å
11D94.3Very high90.7Very high74 Ų7474.6 Ų74.640%0.39637%0.373SS..  trans-76.1144.6-176.2-79-5.7000111.5L7 D8 P13 W304 L306L7-D11 HydrophobicContact CD1-CB 3.82Å; D8-D11 HydrophobicContact CB-CB 4.36Å; D8-D11 WeakPolarHBondContact O-CB 3.39Å; D8-D11 PolarHBondContact O-N 2.83Å; D11-P13 WeakPolarHBondContact O-CD 3.2Å; D11-W304 PolarHBondContact O-NE1 3.42Å; D11-W304 VanDerWaalsContact O-NE1 3.14Å; D11-L306 WeakPolarHBondContact O-CD2 3.22Å
12R95.9Very high93.2Very high140 Ų14069.1 Ų69.153%0.52835%0.352SS..  trans-83.9108.9168.1-179.6-177.4-74.7-92.40.7109.3L306 E323 I325R12-L306 HydrophobicContact CB-CD1 3.92Å; R12-L306 HydrophobicContact CG-CD1 4.01Å; R12-E323 IonicContact CZ-OE1 3.56Å; R12-E323 IonicContact CZ-OE2 3.95Å; R12-E323 VanDerWaalsContact NH1-CD 3.31Å; R12-E323 IonicContact NH1-OE1 2.73Å; R12-E323 PolarHBondContact NH1-OE1 3.44Å; R12-E323 IonicContact NH1-OE2 3.33Å; R12-E323 PolarHBondContact NH1-OE2 2.83Å; R12-E323 IonicContact NH2-OE1 3.59Å; R12-E323 IonicContact NH2-OE2 3.63Å; R12-E323 PolarHBondContact NH2-OE2 3.41Å; R12-I325 HydrophobicContact CG-CD1 3.84Å
13P96.7Very high95.2Very high8 Ų862 Ų625%0.05232%0.32CS..PPolyproline II helixtrans-67.1144.2176.927.1-33.7000111.1L7 D11 Y19 I325 L327 V348L7-P13 HydrophobicContact CD1-CB 3.79Å; L7-P13 HydrophobicContact CD1-CG 4.39Å; L7-P13 HydrophobicContact CD2-CB 4.04Å; L7-P13 HydrophobicContact CD2-CG 4.32Å; D11-P13 WeakPolarHBondContact O-CD 3.2Å; P13-Y19 HydrophobicContact CB-CD2 4.49Å; P13-Y19 HydrophobicContact CB-CE2 4.02Å; P13-I325 HydrophobicContact CG-CD1 4.31Å; P13-I325 HydrophobicContact CG-CG2 4.17Å; P13-L327 HydrophobicContact CB-CD2 4.22Å; P13-L327 HydrophobicContact CG-CD2 3.81Å; P13-V348 HydrophobicContact CB-CG2 3.73Å; P13-V348 HydrophobicContact CG-CG2 3.99Å
14K96.8Very high95.8Very high143 Ų14357 Ų5762%0.62231%0.306SS*.PPolyproline II helixtrans-97.6150.4176.5-62.7178.1-178.5173.70110.8I17 Y19 V348K14-I17 HydrophobicContact CB-CD1 4.09Å; K14-I17 HydrophobicContact CD-CD1 4.37Å; K14-Y19 PolarHBondContact N-OH 3.03Å; K14-V348 WeakPolarHBondContact O-CG2 3.49Å
15E97Very high95.7Very high113 Ų11358.2 Ų58.253%0.52832%0.324SS..THydrogen-bonded Turntrans-65.7151.5170.6-75.8160.9-103.600111.9I17 V348 K350E15-I17 PolarHBondContact O-N 2.8Å; E15-V348 HydrophobicContact CG-CB 4.04Å; E15-V348 HydrophobicContact CG-CG1 3.74Å; E15-K350 WeakPolarHBondContact OE1-CE 3.3Å; E15-K350 IonicContact OE1-NZ 2.99Å; E15-K350 PolarHBondContact OE1-NZ 3.36Å; E15-K350 VanDerWaalsContact OE2-CE 3.28Å; E15-K350 WeakPolarHBondContact OE2-CE 3.32Å; E15-K350 IonicContact OE2-NZ 2.78Å; E15-K350 PolarHBondContact OE2-NZ 2.9Å
16G97.1Very high95.3Very high20 Ų2059.4 Ų59.421%0.20633%0.334CS..THydrogen-bonded Turntrans72.216.6176.100000113.7F286 E287G16-F286 CarbonylContact O-C 3.57Å; G16-F286 WeakPolarHBondContact O-CA 3.38Å; G16-F286 WeakPolarHBondContact O-CB 3.1Å; G16-E287 PolarHBondContact O-N 3.48Å
17I97.8Very high94.9Very high30 Ų3059 Ų5915%0.15433%0.332CS..  trans-126.3137.6175.1-58.8-177.9000109P5 K14 E15 Y19 E287 T347P5-I17 HydrophobicContact CG-CG2 3.78Å; K14-I17 HydrophobicContact CB-CD1 4.09Å; K14-I17 HydrophobicContact CD-CD1 4.37Å; E15-I17 PolarHBondContact O-N 2.8Å; I17-Y19 HydrophobicContact CB-CD2 4.38Å; I17-Y19 HydrophobicContact CB-CE2 3.68Å; I17-Y19 HydrophobicContact CG2-CD1 4.39Å; I17-Y19 HydrophobicContact CG2-CD2 4.04Å; I17-Y19 HydrophobicContact CG2-CE1 4.02Å; I17-Y19 HydrophobicContact CG2-CE2 3.64Å; I17-Y19 HydrophobicContact CG2-CG 4.4Å; I17-E287 HydrophobicContact CG1-CB 4.5Å; I17-T347 WeakPolarHBondContact O-CB 3.38Å; I17-T347 PolarHBondContact O-OG1 3.24Å
18W98.3Very high94.5Very high1 Ų159 Ų590%0.00433%0.332CS..EExtended strand (participates in β ladder)trans-91.1134164.8-83.399.1000109.5L4 P5 F259 M271 F286 P291 I345 T347L4-W18 HydrophobicContact CD1-CB 4.31Å; L4-W18 HydrophobicContact CD2-CB 3.83Å; P5-W18 VanDerWaalsContact CD-O 3.31Å; P5-W18 WeakPolarHBondContact CD-O 3.27Å; P5-W18 WeakPolarHBondContact CG-O 3.27Å; W18-F259 HydrophobicContact CH2-CD1 4.21Å; W18-F259 HydrophobicContact CH2-CD2 4.32Å; W18-F259 HydrophobicContact CH2-CE1 4.23Å; W18-F259 HydrophobicContact CH2-CE2 4.31Å; W18-F259 HydrophobicContact CH2-CG 4.27Å; W18-F259 HydrophobicContact CH2-CZ 4.29Å; W18-F259 HydrophobicContact CZ2-CD1 4.44Å; W18-F259 AromaticContact CZ2-CD2 3.75Å; W18-F259 HydrophobicContact CZ2-CD2 3.75Å; W18-F259 HydrophobicContact CZ2-CE1 4.43Å; W18-F259 AromaticContact CZ2-CE2 3.7Å; W18-F259 HydrophobicContact CZ2-CE2 3.7Å; W18-F259 HydrophobicContact CZ2-CG 4.13Å; W18-F259 HydrophobicContact CZ2-CZ 4.08Å; W18-M271 HydrophobicContact CH2-SD 4.42Å; W18-M271 HydrophobicContact CZ2-SD 3.71Å; W18-F286 AromaticContact CD1-CD1 3.47Å; W18-F286 VanDerWaalsContact CD1-CD1 3.47Å; W18-F286 AromaticContact CD1-CE1 3.75Å; W18-F286 AromaticContact CD1-CG 3.65Å; W18-F286 HydrophobicContact CG-CD1 4.41Å; W18-F286 AromaticContact NE1-CD1 3.69Å; W18-F286 AromaticContact NE1-CD2 3.81Å; W18-F286 AromaticContact NE1-CE1 3.5Å; W18-F286 AromaticContact NE1-CE2 3.6Å; W18-F286 AromaticContact NE1-CG 3.86Å; W18-F286 AromaticContact NE1-CZ 3.46Å; W18-P291 HydrophobicContact CB-CG 4.1Å; W18-P291 HydrophobicContact CD2-CG 3.48Å; W18-P291 VanDerWaalsContact CD2-CG 3.48Å; W18-P291 HydrophobicContact CE3-CG 3.79Å; W18-P291 VanDerWaalsContact CG-CD 3.5Å; W18-P291 HydrophobicContact CG-CG 3.64Å; W18-P291 HydrophobicContact CZ2-CG 4.48Å; W18-P291 HydrophobicContact CZ3-CG 4.41Å; W18-I345 HydrophobicContact CE3-CB 4.05Å; W18-I345 HydrophobicContact CE3-CD1 4.13Å; W18-I345 HydrophobicContact CE3-CG1 4.18Å; W18-I345 HydrophobicContact CH2-CD1 4.38Å; W18-I345 HydrophobicContact CZ3-CB 4.14Å; W18-I345 HydrophobicContact CZ3-CD1 3.82Å; W18-I345 HydrophobicContact CZ3-CG1 3.81Å; W18-T347 HydrophobicContact CD2-CG2 4.09Å; W18-T347 HydrophobicContact CE3-CG2 4.14Å; W18-T347 HydrophobicContact CH2-CG2 3.74Å; W18-T347 HydrophobicContact CZ2-CG2 3.66Å; W18-T347 HydrophobicContact CZ3-CG2 3.96Å
19Y98.2Very high94.1Very high22 Ų2257 Ų579%0.08633%0.333CS..EExtended strand (participates in β ladder)trans-117.5151.4177.2-61.5-95.1000110.7P5 L7 P13 K14 I17 I345 V346P5-Y19 HydrophobicContact CB-CD1 4.03Å; P5-Y19 HydrophobicContact CB-CE1 4.3Å; P5-Y19 HydrophobicContact CG-CD1 3.76Å; P5-Y19 HydrophobicContact CG-CE1 4.04Å; P5-Y19 HydrophobicContact CG-CG 4.41Å; P5-Y19 CarbonylContact O-C 3.56Å; P5-Y19 WeakPolarHBondContact O-CA 3.19Å; P5-Y19 WeakPolarHBondContact O-CB 3.39Å; L7-Y19 HydrophobicContact CB-CD1 3.93Å; L7-Y19 HydrophobicContact CB-CG 3.93Å; L7-Y19 HydrophobicContact CD1-CD1 4.29Å; L7-Y19 HydrophobicContact CD1-CE1 4.4Å; P13-Y19 HydrophobicContact CB-CD2 4.49Å; P13-Y19 HydrophobicContact CB-CE2 4.02Å; K14-Y19 PolarHBondContact N-OH 3.03Å; I17-Y19 HydrophobicContact CB-CD2 4.38Å; I17-Y19 HydrophobicContact CB-CE2 3.68Å; I17-Y19 HydrophobicContact CG2-CD1 4.39Å; I17-Y19 HydrophobicContact CG2-CD2 4.04Å; I17-Y19 HydrophobicContact CG2-CE1 4.02Å; I17-Y19 HydrophobicContact CG2-CE2 3.64Å; I17-Y19 HydrophobicContact CG2-CG 4.4Å; Y19-I345 CarbonylContact O-C 3.52Å; Y19-I345 VanDerWaalsContact O-CA 3.28Å; Y19-I345 WeakPolarHBondContact O-CA 3.41Å; Y19-V346 PolarHBondContact N-O 2.98Å; Y19-V346 PolarHBondContact O-N 2.97Å
20S97.3Very high94.1Very high27 Ų2758.8 Ų58.819%0.18934%0.339CS..EExtended strand (participates in β ladder)trans-86.8130.8162.2-171.50000109.1P5 V6 L7P5-S20 PolarHBondContact O-N 3.29Å; V6-S20 WeakPolarHBondContact CA-O 3.47Å; L7-S20 PolarHBondContact N-O 3.23Å
21L95.8Very high94.3Very high7 Ų752.1 Ų52.14%0.03731%0.305CS..EExtended strand (participates in β ladder)trans-97.7129.2165.1-17270000107.7P23 W304 F329 C344 V346L21-P23 HydrophobicContact CD2-CG 4.47Å; L21-P23 HydrophobicContact CG-CG 4.39Å; L21-P23 WeakPolarHBondContact O-CD 3.29Å; L21-W304 HydrophobicContact CD1-CH2 3.83Å; L21-W304 HydrophobicContact CD1-CZ3 4.09Å; L21-F329 HydrophobicContact CD2-CD2 4.39Å; L21-F329 HydrophobicContact CD2-CE2 4.11Å; L21-C344 HydrophobicContact CB-CB 3.97Å; L21-C344 PolarHBondContact N-O 3.46Å; L21-C344 WeakPolarHBondContact O-CB 3.48Å; L21-V346 HydrophobicContact CB-CG1 4.45Å
22T95.2Very high94.3Very high91 Ų9149.6 Ų49.656%0.55829%0.292SS*.  trans-121.676.9-176.955.20000110.6
23P95.6Very high94.3Very high15 Ų1543 Ų4310%0.09727%0.268CS..  trans-60.6142.8174.9-15.528.2000110.6L21 I67 H72 W74L21-P23 HydrophobicContact CD2-CG 4.47Å; L21-P23 HydrophobicContact CG-CG 4.39Å; L21-P23 WeakPolarHBondContact O-CD 3.29Å; P23-I67 HydrophobicContact CB-CG2 3.97Å; P23-I67 HydrophobicContact CG-CD1 3.89Å; P23-I67 HydrophobicContact CG-CG1 4.13Å; P23-I67 HydrophobicContact CG-CG2 3.84Å; P23-H72 CarbonylContact C-O 3.47Å; P23-H72 WeakPolarHBondContact CA-O 3.48Å; P23-H72 WeakPolarHBondContact CB-O 3.18Å; P23-W74 HydrophobicContact CB-CG 4.36Å
24S95.4Very high94.3Very high67 Ų6742.6 Ų42.647%0.46927%0.265SS..BIsolated β-bridgetrans-74.9167.3176.164.60000111.5H72 E73 W74S24-H72 PolarHBondContact N-O 3.45Å; S24-H72 PolarHBondContact OG-O 2.84Å; S24-E73 WeakPolarHBondContact O-CA 3.38Å; S24-W74 PolarHBondContact O-N 2.9Å
25G90.9Very high94.4Very high49 Ų4935.9 Ų35.951%0.50524%0.236SC..SBendtrans89.3-164.1179.200000114.5T27G25-T27 PolarHBondContact O-N 3.08Å
26S88.8Confident94.4Very high88 Ų8830.7 Ų30.762%0.61521%0.212SC*.  trans-86.4102.3-173-64.20000111.7W74S26-W74 WeakPolarHBondContact O-CB 3.29Å
27T87.6Confident94.4Very high62 Ų6230.5 Ų30.538%0.3821%0.207SC..PPolyproline II helixtrans-59.3145.6173.9-50.10000111.6G25 W74 N342G25-T27 PolarHBondContact O-N 3.08Å; T27-W74 HydrophobicContact CG2-CZ2 4.09Å; T27-N342 HydrophobicContact CG2-CB 4.33Å
28P88.4Confident94.4Very high4 Ų430.9 Ų30.93%0.02621%0.208CC..PPolyproline II helixtrans-54.6153.2170.7-23.832.4000112.4Y65 W74 F331 N342P28-Y65 HydrophobicContact CB-CD1 4.21Å; P28-Y65 HydrophobicContact CB-CD2 3.79Å; P28-Y65 HydrophobicContact CB-CE1 4.24Å; P28-Y65 HydrophobicContact CB-CE2 3.83Å; P28-Y65 HydrophobicContact CB-CG 4Å; P28-Y65 HydrophobicContact CG-CD1 3.86Å; P28-Y65 HydrophobicContact CG-CD2 3.77Å; P28-Y65 HydrophobicContact CG-CE1 4.37Å; P28-Y65 HydrophobicContact CG-CE2 4.3Å; P28-Y65 HydrophobicContact CG-CG 3.54Å; P28-W74 VanDerWaalsContact CD-CH2 3.46Å; P28-W74 HydrophobicContact CG-CE3 3.89Å; P28-W74 HydrophobicContact CG-CH2 3.69Å; P28-W74 HydrophobicContact CG-CZ2 4.36Å; P28-W74 HydrophobicContact CG-CZ3 3.41Å; P28-W74 VanDerWaalsContact CG-CZ3 3.41Å; P28-F331 HydrophobicContact CB-CZ 4.23Å; P28-F331 HydrophobicContact CG-CZ 4.03Å; P28-N342 PolarHBondContact O-ND2 2.99Å
29G87.6Confident94.4Very high47 Ų4730.9 Ų30.949%0.48521%0.208SC..PPolyproline II helixtrans-62.5163.2170.400000112.4S31G29-S31 PolarHBondContact O-N 3.47Å
30L91.2Very high94.2Very high79 Ų7931.9 Ų31.941%0.41422%0.217SC..SBendtrans-62.1120.1177.3-61.3-178.5000110.7N56 I340 N342L30-N56 WeakPolarHBondContact O-CB 3.38Å; L30-N56 PolarHBondContact O-ND2 3.24Å; L30-I340 HydrophobicContact CB-CB 4.07Å; L30-I340 HydrophobicContact CB-CG2 3.77Å; L30-I340 HydrophobicContact CD2-CG2 4.41Å; L30-N342 HydrophobicContact CD2-CB 3.85Å
31S93.6Very high94Very high8 Ų832 Ų326%0.05622%0.217CC..  trans-150.3156.1178.168.50000112.4G29 H34 A55G29-S31 PolarHBondContact O-N 3.47Å; S31-H34 PolarHBondContact O-ND1 3Å; S31-H34 PolarHBondContact OG-ND1 2.93Å; S31-A55 CarbonylContact C-O 3.51Å; S31-A55 WeakPolarHBondContact CA-O 3.29Å
32V94.7Very high93.5Very high21 Ų2138 Ų3813%0.12725%0.246CC..BIsolated β-bridgetrans-123.9160173.2-59.30000110.6H34 G54 A55 D296 M334 I340V32-H34 PolarHBondContact O-N 3.39Å; V32-H34 VanDerWaalsContact O-N 3.13Å; V32-G54 CarbonylContact O-C 3.57Å; V32-G54 WeakPolarHBondContact O-CA 3.35Å; V32-A55 PolarHBondContact N-O 2.95Å; V32-A55 PolarHBondContact O-N 3.44Å; V32-D296 HydrophobicContact CB-CB 4.15Å; V32-M334 HydrophobicContact CG1-CB 3.77Å; V32-M334 HydrophobicContact CG1-CG 3.82Å; V32-M334 HydrophobicContact CG1-SD 3.89Å; V32-M334 HydrophobicContact CG2-SD 4.4Å; V32-I340 HydrophobicContact CG1-CG1 4.25Å; V32-I340 HydrophobicContact CG1-CG2 3.95Å
33G95.6Very high93Very high1 Ų140.2 Ų40.21%0.0125%0.254CS..SBendtrans64.916178.800000114Y86 E87 D296G33-Y86 CarbonylContact O-C 3.57Å; G33-Y86 WeakPolarHBondContact O-CA 3.39Å; G33-E87 PolarHBondContact O-N 3.31Å; G33-D296 PolarHBondContact N-O 2.75Å
34H97.3Very high92.3Very high0 Ų042.7 Ų42.70%028%0.282CS..  trans-71.6166.8165.157.8-97.7000109.2S31 V32 I51 V52 G53 T144 S298 F331S31-H34 PolarHBondContact O-ND1 3Å; S31-H34 PolarHBondContact OG-ND1 2.93Å; V32-H34 PolarHBondContact O-N 3.39Å; V32-H34 VanDerWaalsContact O-N 3.13Å; H34-I51 HydrophobicContact CB-CG2 4.15Å; H34-V52 VanDerWaalsContact CA-O 3.31Å; H34-V52 WeakPolarHBondContact CA-O 3.37Å; H34-V52 WeakPolarHBondContact CB-O 3.25Å; H34-G53 WeakPolarHBondContact CB-O 3.35Å; H34-T144 WeakPolarHBondContact O-CG2 3.28Å; H34-S298 PolarHBondContact CD2-OG 3.43Å; H34-S298 PolarHBondContact NE2-OG 3.33Å; H34-S298 VanDerWaalsContact NE2-OG 3.11Å; H34-S298 WeakPolarHBondContact O-CB 3.48Å; H34-F331 AromaticContact CD2-CD1 3.68Å; H34-F331 AromaticContact CE1-CD1 3.69Å; H34-F331 AromaticContact CE1-CE1 3.94Å; H34-F331 AromaticContact NE2-CD1 3.2Å; H34-F331 WeakPolarHBondContact NE2-CD1 3.47Å; H34-F331 AromaticContact NE2-CE1 3.88Å; H34-F331 PolarHBondContact NE2-O 2.83Å
35T98.2Very high92.1Very high1 Ų140.4 Ų40.41%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-110.9149.4168.660.40000110.5I51 V52 H88 S90 T144T35-I51 CarbonylContact O-C 3.44Å; T35-I51 VanDerWaalsContact O-CA 3.24Å; T35-I51 WeakPolarHBondContact O-CA 3.48Å; T35-V52 PolarHBondContact N-O 3.37Å; T35-V52 PolarHBondContact O-N 3.48Å; T35-H88 WeakPolarHBondContact CG2-O 3.04Å; T35-H88 PolarHBondContact OG1-NE2 3.11Å; T35-S90 WeakPolarHBondContact CB-OG 3.47Å; T35-S90 VanDerWaalsContact OG1-CB 3.28Å; T35-S90 WeakPolarHBondContact OG1-CB 3.14Å; T35-S90 PolarHBondContact OG1-OG 2.96Å; T35-T144 HydrophobicContact CG2-CG2 4.29Å
36C97.3Very high92.2Very high5 Ų540.4 Ų40.43%0.03426%0.256CS..EExtended strand (participates in β ladder)trans-119133.9165.267.50000109.1I49 V50 I51 S298 M299 C300 F329C36-I49 HydrophobicContact CB-CG2 4.05Å; C36-V50 CarbonylContact C-O 3.49Å; C36-V50 VanDerWaalsContact CA-O 3.26Å; C36-V50 WeakPolarHBondContact CA-O 3.33Å; C36-I51 HydrophobicContact CB-CG1 4.35Å; C36-S298 WeakPolarHBondContact CB-OG 3.4Å; C36-S298 PolarHBondContact N-OG 3.12Å; C36-S298 VanDerWaalsContact N-OG 3.17Å; C36-S298 PolarHBondContact SG-OG 2.89Å; C36-M299 VanDerWaalsContact SG-CA 3.59Å; C36-C300 WeakPolarHBondContact O-CB 3.21Å; C36-F329 HydrophobicContact CB-CE1 4.14Å
37T98.1Very high92.6Very high15 Ų1536.3 Ų36.39%0.09223%0.227CC..EExtended strand (participates in β ladder)trans-138.3131.9-179.8-71.50000109.7V50 S90 V92 L100T37-V50 PolarHBondContact N-O 2.9Å; T37-V50 PolarHBondContact O-N 2.63Å; T37-S90 PolarHBondContact OG1-OG 3.48Å; T37-V92 HydrophobicContact CG2-CG1 4.04Å; T37-L100 HydrophobicContact CG2-CD1 3.72Å
38F97.8Very high93Very high39 Ų3936.5 Ų36.517%0.17122%0.221CC..EExtended strand (participates in β ladder)trans-74.5133.2170.3173.7-99.1000110.4P40 K46 R48 L69 L301 L302 P303F38-P40 HydrophobicContact CE1-CB 4Å; F38-P40 HydrophobicContact CZ-CB 4.3Å; F38-K46 WeakPolarHBondContact CE2-O 3.26Å; F38-R48 WeakPolarHBondContact CA-O 3.47Å; F38-L69 HydrophobicContact CD2-CD1 3.89Å; F38-L69 HydrophobicContact CE2-CD1 3.6Å; F38-L301 VanDerWaalsContact CB-O 3.31Å; F38-L301 WeakPolarHBondContact CB-O 3.12Å; F38-L302 HydrophobicContact CD2-CD1 4.04Å; F38-L302 HydrophobicContact CE2-CD1 4.35Å; F38-P303 HydrophobicContact CD1-CG 4.21Å; F38-P303 HydrophobicContact CE1-CG 3.79Å; F38-P303 HydrophobicContact CE2-CG 4.46Å; F38-P303 HydrophobicContact CZ-CG 3.93Å
39V97.1Very high93.5Very high0 Ų036.3 Ų36.30%022%0.22CC..EExtended strand (participates in β ladder)trans-124119.3175.4179.20000107.3G47 R48 V50 V92 F120V39-G47 WeakPolarHBondContact O-CA 3.27Å; V39-R48 HydrophobicContact CB-CG 3.9Å; V39-R48 PolarHBondContact N-O 3.27Å; V39-R48 PolarHBondContact O-N 2.79Å; V39-V50 HydrophobicContact CB-CG2 4.48Å; V39-V50 HydrophobicContact CG2-CG2 3.85Å; V39-V92 HydrophobicContact CG2-CG1 4.27Å; V39-F120 HydrophobicContact CB-CE2 4.3Å; V39-F120 HydrophobicContact CG1-CD2 3.69Å; V39-F120 HydrophobicContact CG1-CE2 3.82Å; V39-F120 HydrophobicContact CG2-CD2 4.47Å; V39-F120 HydrophobicContact CG2-CE2 3.74Å; V39-F120 HydrophobicContact CG2-CZ 4.38Å
40P94.8Very high94Very high43 Ų4334.1 Ų34.128%0.27920%0.197SC..  trans-66.2165.3-179.928.9-34.6000111.3F38 P97 Q98F38-P40 HydrophobicContact CE1-CB 4Å; F38-P40 HydrophobicContact CZ-CB 4.3Å; P40-P97 HydrophobicContact CG-CB 3.82Å; P40-Q98 PolarHBondContact O-NE2 2.95Å
41S92.3Very high94.3Very high29 Ų2930.4 Ų30.420%0.20318%0.177CC..  trans-85.8151.6170.9-151.90000112D43 G45S41-D43 WeakPolarHBondContact CB-OD1 3.27Å; S41-D43 PolarHBondContact OG-OD1 3.03Å; S41-G45 VanDerWaalsContact CB-O 3.32Å; S41-G45 WeakPolarHBondContact CB-O 3.35Å
42E87Confident94.4Very high135 Ų13530 Ų3063%0.63118%0.175SC*.SBendtrans-83.2-27.2170.3-65.4-167.113600112.8Q98E42-Q98 VanDerWaalsContact CD-CG 3.43Å; E42-Q98 VanDerWaalsContact CG-CD 3.44Å; E42-Q98 HydrophobicContact CG-CG 3.31Å; E42-Q98 WeakPolarHBondContact OE1-CG 3.41Å
43D84.3Confident94.5Very high136 Ų13629.3 Ų29.373%0.72717%0.172SC*.SBendtrans-97.312.4-172.363.9-0.5000113.7S41 G45S41-D43 WeakPolarHBondContact CB-OD1 3.27Å; S41-D43 PolarHBondContact OG-OD1 3.03Å; D43-G45 PolarHBondContact OD1-N 2.84Å
44G80.9Confident94.6Very high68 Ų6829.3 Ų29.370%0.70117%0.171SC*.SBendtrans83.45.6-179.800000115.2
45G90.8Very high94.5Very high19 Ų1929.8 Ų29.820%0.19618%0.175CC..SBendtrans-66.5173.7168.200000114S41 D43 G47S41-G45 VanDerWaalsContact CB-O 3.32Å; S41-G45 WeakPolarHBondContact CB-O 3.35Å; D43-G45 PolarHBondContact OD1-N 2.84Å; G45-G47 PolarHBondContact O-N 3.02Å
46K93.9Very high94.2Very high49 Ų4932 Ų3221%0.21319%0.187CC..  trans-70.7-10-178.5-68.3178.3175.9-174.40113.8F38 L69 D70 Q305F38-K46 WeakPolarHBondContact CE2-O 3.26Å; K46-L69 HydrophobicContact CB-CB 3.75Å; K46-L69 WeakPolarHBondContact CD-O 3.47Å; K46-D70 WeakPolarHBondContact CB-OD1 3.18Å; K46-D70 PolarHBondContact N-OD1 3.03Å; K46-Q305 HydrophobicContact CG-CB 4.36Å
47G95.6Very high93.9Very high2 Ų238.1 Ų38.12%0.02123%0.227CC..  trans85.6-158.5179.200000113V39 G45 L69V39-G47 WeakPolarHBondContact O-CA 3.27Å; G45-G47 PolarHBondContact O-N 3.02Å; G47-L69 WeakPolarHBondContact O-CB 3.22Å; G47-L69 PolarHBondContact O-N 2.91Å; G47-L69 VanDerWaalsContact O-N 3.08Å
48R96.8Very high93.6Very high66 Ų6642.2 Ų42.225%0.24926%0.256CS..EExtended strand (participates in β ladder)trans-146.6155-176.864.8-168.368.9-176.6-0.1112.5F38 V39 V50 I67F38-R48 WeakPolarHBondContact CA-O 3.47Å; V39-R48 HydrophobicContact CB-CG 3.9Å; V39-R48 PolarHBondContact N-O 3.27Å; V39-R48 PolarHBondContact O-N 2.79Å; R48-V50 HydrophobicContact CG-CG2 3.89Å; R48-I67 CarbonylContact C-O 3.5Å; R48-I67 WeakPolarHBondContact CA-O 3.19Å; R48-I67 VanDerWaalsContact CB-O 3.31Å; R48-I67 WeakPolarHBondContact CB-O 3.39Å
49I97.9Very high93.4Very high0 Ų041.4 Ų41.40%026%0.258CS..EExtended strand (participates in β ladder)trans-102.5125.4165.5-55.1173.9000107.1C36 I51 A66 I67 L69 L302 F329C36-I49 HydrophobicContact CB-CG2 4.05Å; I49-I51 HydrophobicContact CG2-CD1 4.11Å; I49-A66 CarbonylContact O-C 3.56Å; I49-A66 WeakPolarHBondContact O-CA 3.46Å; I49-I67 HydrophobicContact CB-CB 4.38Å; I49-I67 HydrophobicContact CD1-CD1 4.47Å; I49-I67 PolarHBondContact N-O 2.88Å; I49-I67 PolarHBondContact O-N 3.44Å; I49-L69 HydrophobicContact CD1-CD2 4.17Å; I49-L69 HydrophobicContact CG1-CD1 4.25Å; I49-L69 HydrophobicContact CG1-CD2 4.25Å; I49-L302 HydrophobicContact CD1-CD1 4.03Å; I49-L302 HydrophobicContact CD1-CD2 4.05Å; I49-L302 HydrophobicContact CG1-CD1 4.22Å; I49-F329 HydrophobicContact CD1-CB 4.46Å; I49-F329 HydrophobicContact CD1-CD1 3.96Å; I49-F329 HydrophobicContact CD1-CD2 3.55Å; I49-F329 HydrophobicContact CD1-CE1 4.01Å; I49-F329 HydrophobicContact CD1-CE2 3.6Å; I49-F329 HydrophobicContact CD1-CG 3.74Å; I49-F329 HydrophobicContact CD1-CZ 3.84Å; I49-F329 HydrophobicContact CG2-CD1 4.15Å; I49-F329 HydrophobicContact CG2-CE1 3.77Å; I49-F329 HydrophobicContact CG2-CZ 4.24Å
50V98Very high93.3Very high0 Ų042.8 Ų42.80%027%0.268CS..EExtended strand (participates in β ladder)trans-106.4124.9-179.6-174.60000109.5C36 T37 V39 R48 V52 Y65 A66 W79 L100 F120C36-V50 CarbonylContact C-O 3.49Å; C36-V50 VanDerWaalsContact CA-O 3.26Å; C36-V50 WeakPolarHBondContact CA-O 3.33Å; T37-V50 PolarHBondContact N-O 2.9Å; T37-V50 PolarHBondContact O-N 2.63Å; V39-V50 HydrophobicContact CB-CG2 4.48Å; V39-V50 HydrophobicContact CG2-CG2 3.85Å; R48-V50 HydrophobicContact CG-CG2 3.89Å; V50-V52 HydrophobicContact CG1-CG2 3.81Å; V50-Y65 CarbonylContact C-O 3.57Å; V50-Y65 WeakPolarHBondContact CA-O 3.44Å; V50-A66 HydrophobicContact CG2-CB 4.42Å; V50-W79 HydrophobicContact CG1-CZ3 3.94Å; V50-L100 HydrophobicContact CB-CD2 3.97Å; V50-L100 HydrophobicContact CG1-CD2 3.65Å; V50-F120 HydrophobicContact CG1-CZ 4.35Å; V50-F120 HydrophobicContact CG2-CE1 4.3Å; V50-F120 HydrophobicContact CG2-CE2 4.43Å; V50-F120 HydrophobicContact CG2-CZ 3.76Å
51I97.6Very high93.3Very high2 Ų242.8 Ų42.81%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-103.2124.8176.5-60.469.9000107.7H34 T35 C36 I49 S64 Y65 I67 W74 F331H34-I51 HydrophobicContact CB-CG2 4.15Å; T35-I51 CarbonylContact O-C 3.44Å; T35-I51 VanDerWaalsContact O-CA 3.24Å; T35-I51 WeakPolarHBondContact O-CA 3.48Å; C36-I51 HydrophobicContact CB-CG1 4.35Å; I49-I51 HydrophobicContact CG2-CD1 4.11Å; I51-S64 CarbonylContact O-C 3.59Å; I51-S64 WeakPolarHBondContact O-CA 3.4Å; I51-Y65 PolarHBondContact N-O 3.45Å; I51-Y65 PolarHBondContact O-N 2.9Å; I51-I67 HydrophobicContact CD1-CD1 4.42Å; I51-I67 HydrophobicContact CD1-CG1 4.4Å; I51-W74 HydrophobicContact CD1-CH2 3.84Å; I51-W74 HydrophobicContact CD1-CZ3 3.55Å; I51-W74 HydrophobicContact CG1-CH2 4.24Å; I51-W74 HydrophobicContact CG1-CZ3 4.17Å; I51-F331 HydrophobicContact CG1-CD1 3.79Å; I51-F331 HydrophobicContact CG1-CE1 4.02Å; I51-F331 HydrophobicContact CG1-CG 4.35Å; I51-F331 HydrophobicContact CG2-CD1 3.91Å; I51-F331 HydrophobicContact CG2-CE1 3.74Å
52V97.4Very high93.5Very high0 Ų043.7 Ų43.70%027%0.27CS..EExtended strand (participates in β ladder)trans-123.7129.9-173.5-174.70000111.3H34 T35 V50 L82 H88 L100 V102 W127H34-V52 VanDerWaalsContact CA-O 3.31Å; H34-V52 WeakPolarHBondContact CA-O 3.37Å; H34-V52 WeakPolarHBondContact CB-O 3.25Å; T35-V52 PolarHBondContact N-O 3.37Å; T35-V52 PolarHBondContact O-N 3.48Å; V50-V52 HydrophobicContact CG1-CG2 3.81Å; V52-L82 HydrophobicContact CG1-CD1 4.33Å; V52-L82 HydrophobicContact CG1-CD2 3.44Å; V52-L82 VanDerWaalsContact CG1-CD2 3.44Å; V52-H88 PolarHBondContact O-CE1 2.95Å; V52-H88 PolarHBondContact O-NE2 3.39Å; V52-L100 HydrophobicContact CG2-CD2 3.69Å; V52-V102 HydrophobicContact CG1-CG1 4.08Å; V52-W127 HydrophobicContact CB-CZ2 4.46Å; V52-W127 HydrophobicContact CG1-CH2 3.98Å; V52-W127 HydrophobicContact CG1-CZ2 3.68Å; V52-W127 HydrophobicContact CG2-CH2 4.11Å; V52-W127 HydrophobicContact CG2-CZ2 3.84Å
53G96.4Very high93.8Very high6 Ų641.3 Ų41.36%0.06226%0.259CS..  trans62.4-139.9170.900000113.6H34 E63H34-G53 WeakPolarHBondContact CB-O 3.35Å; G53-E63 PolarHBondContact N-O 2.88Å
54G96.5Very high94.4Very high0 Ų035 Ų350%023%0.225CC..  trans105.9177.6-173.300000111.9V32 F61 R85V32-G54 CarbonylContact O-C 3.57Å; V32-G54 WeakPolarHBondContact O-CA 3.35Å; G54-F61 WeakPolarHBondContact O-CB 3.36Å; G54-F61 WeakPolarHBondContact O-CD2 3.27Å; G54-F61 PolarHBondContact O-N 2.96Å; G54-R85 PolarHBondContact N-O 3.39Å
55A95.3Very high95.1Very high10 Ų1034.2 Ų34.28%0.08320%0.202CC..EExtended strand (participates in β ladder)trans-145.9161.3176.900000111.1S31 V32 G59 Y86S31-A55 CarbonylContact C-O 3.51Å; S31-A55 WeakPolarHBondContact CA-O 3.29Å; V32-A55 PolarHBondContact N-O 2.95Å; V32-A55 PolarHBondContact O-N 3.44Å; A55-G59 VanDerWaalsContact CA-O 3.24Å; A55-G59 WeakPolarHBondContact CA-O 3.45Å; A55-G59 WeakPolarHBondContact CB-O 3.48Å; A55-Y86 HydrophobicContact CB-CD1 3.62Å; A55-Y86 HydrophobicContact CB-CD2 4.18Å; A55-Y86 HydrophobicContact CB-CE1 4.31Å; A55-Y86 HydrophobicContact CB-CG 3.56Å
56N93.1Very high95.4Very high48 Ų4833.3 Ų33.326%0.25719%0.192SC..EExtended strand (participates in β ladder)trans-142.8-174.3163.575.517.8000108.6L30 S58 G59 F61 I340L30-N56 WeakPolarHBondContact O-CB 3.38Å; L30-N56 PolarHBondContact O-ND2 3.24Å; N56-S58 PolarHBondContact O-N 2.77Å; N56-S58 VanDerWaalsContact OD1-CB 3.31Å; N56-S58 WeakPolarHBondContact OD1-CB 3.35Å; N56-S58 PolarHBondContact OD1-N 2.91Å; N56-S58 PolarHBondContact OD1-OG 2.9Å; N56-G59 PolarHBondContact N-O 3.28Å; N56-G59 PolarHBondContact O-N 2.89Å; N56-F61 HydrophobicContact CB-CE2 4.18Å; N56-F61 HydrophobicContact CB-CZ 4.24Å; N56-F61 VanDerWaalsContact CG-CZ 3.44Å; N56-F61 WeakPolarHBondContact ND2-CZ 3.36Å; N56-I340 HydrophobicContact CB-CD1 4.19Å
57P90.4Very high95.5Very high134 Ų13431 Ų3187%0.8718%0.182SC*.THydrogen-bonded Turntrans-57.1-18.1-179.1-28.536.9000115.9
58S90.9Very high95.6Very high100 Ų10032.7 Ų32.770%0.69919%0.191SC*.THydrogen-bonded Turntrans-81.2-18.5176.172.70000114.1N56N56-S58 PolarHBondContact O-N 2.77Å; N56-S58 VanDerWaalsContact OD1-CB 3.31Å; N56-S58 WeakPolarHBondContact OD1-CB 3.35Å; N56-S58 PolarHBondContact OD1-N 2.91Å; N56-S58 PolarHBondContact OD1-OG 2.9Å
59G93.5Very high95.5Very high22 Ų2229.8 Ų29.823%0.22718%0.18CC..EExtended strand (participates in β ladder)trans143.2-173.8179.800000113.9A55 N56A55-G59 VanDerWaalsContact CA-O 3.24Å; A55-G59 WeakPolarHBondContact CA-O 3.45Å; A55-G59 WeakPolarHBondContact CB-O 3.48Å; N56-G59 PolarHBondContact N-O 3.28Å; N56-G59 PolarHBondContact O-N 2.89Å
60S95.7Very high95.4Very high29 Ų2933.6 Ų33.620%0.20320%0.201CC..EExtended strand (participates in β ladder)trans-90.1148.3174.156.70000111.6A84S60-A84 WeakPolarHBondContact O-CB 3.28Å
61F95.3Very high95.2Very high43 Ų4337.3 Ų37.319%0.18922%0.221CC..  trans-106.1145.1-173.1-60.4-45.3000113G54 N56 E63 A84 R85G54-F61 WeakPolarHBondContact O-CB 3.36Å; G54-F61 WeakPolarHBondContact O-CD2 3.27Å; G54-F61 PolarHBondContact O-N 2.96Å; N56-F61 HydrophobicContact CB-CE2 4.18Å; N56-F61 HydrophobicContact CB-CZ 4.24Å; N56-F61 VanDerWaalsContact CG-CZ 3.44Å; N56-F61 WeakPolarHBondContact ND2-CZ 3.36Å; F61-E63 WeakPolarHBondContact CA-OE2 3.47Å; F61-E63 WeakPolarHBondContact CB-OE2 3.17Å; F61-A84 CarbonylContact O-C 3.5Å; F61-A84 WeakPolarHBondContact O-CA 3.36Å; F61-R85 PolarHBondContact O-N 2.99Å
62S95.5Very high95.1Very high48 Ų4838 Ų3834%0.33622%0.224SC..  trans-107.31.7172.844.10000112.1L82S62-L82 WeakPolarHBondContact CB-O 3.46Å; S62-L82 WeakPolarHBondContact O-CB 3.34Å; S62-L82 WeakPolarHBondContact O-CD2 3.32Å
63E94.4Very high95Very high85 Ų8542 Ų4240%0.39724%0.242SC..  trans-75.8150.1-177.3-68.169.9-160.100110.8G53 F61 Y65G53-E63 PolarHBondContact N-O 2.88Å; F61-E63 WeakPolarHBondContact CA-OE2 3.47Å; F61-E63 WeakPolarHBondContact CB-OE2 3.17Å; E63-Y65 HydrophobicContact CB-CE2 3.7Å
64S95.4Very high95Very high3 Ų342.3 Ų42.32%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-132.7135.2172.6-60.10000109I51 S77 W127I51-S64 CarbonylContact O-C 3.59Å; I51-S64 WeakPolarHBondContact O-CA 3.4Å; S64-S77 PolarHBondContact O-OG 3.11Å; S64-W127 PolarHBondContact OG-NE1 3.21Å; S64-W127 VanDerWaalsContact OG-NE1 3.12Å
65Y96.2Very high94.9Very high52 Ų5245.1 Ų45.120%0.20426%0.256CS..EExtended strand (participates in β ladder)trans-122.6158.2179.9-55.7-93.8000108.9P28 V50 I51 E63 T76P28-Y65 HydrophobicContact CB-CD1 4.21Å; P28-Y65 HydrophobicContact CB-CD2 3.79Å; P28-Y65 HydrophobicContact CB-CE1 4.24Å; P28-Y65 HydrophobicContact CB-CE2 3.83Å; P28-Y65 HydrophobicContact CB-CG 4Å; P28-Y65 HydrophobicContact CG-CD1 3.86Å; P28-Y65 HydrophobicContact CG-CD2 3.77Å; P28-Y65 HydrophobicContact CG-CE1 4.37Å; P28-Y65 HydrophobicContact CG-CE2 4.3Å; P28-Y65 HydrophobicContact CG-CG 3.54Å; V50-Y65 CarbonylContact C-O 3.57Å; V50-Y65 WeakPolarHBondContact CA-O 3.44Å; I51-Y65 PolarHBondContact N-O 3.45Å; I51-Y65 PolarHBondContact O-N 2.9Å; E63-Y65 HydrophobicContact CB-CE2 3.7Å; Y65-T76 HydrophobicContact CE1-CG2 4.42Å
66A97Very high94.4Very high0 Ų049 Ų490%028%0.279CS..EExtended strand (participates in β ladder)trans-135.5151.6170.700000111.5I49 V50 W74 I75 W79I49-A66 CarbonylContact O-C 3.56Å; I49-A66 WeakPolarHBondContact O-CA 3.46Å; V50-A66 HydrophobicContact CG2-CB 4.42Å; A66-W74 CarbonylContact O-C 3.52Å; A66-W74 WeakPolarHBondContact O-CA 3.37Å; A66-I75 HydrophobicContact CB-CB 4.39Å; A66-I75 PolarHBondContact N-O 3.06Å; A66-I75 PolarHBondContact O-N 2.76Å; A66-W79 HydrophobicContact CB-CH2 3.99Å; A66-W79 HydrophobicContact CB-CZ3 4.41Å
67I97.4Very high94Very high0 Ų047.6 Ų47.60%027%0.273CS..EExtended strand (participates in β ladder)trans-102.3117.4162.9-58165.7000106P23 R48 I49 I51 L69 W74 F329P23-I67 HydrophobicContact CB-CG2 3.97Å; P23-I67 HydrophobicContact CG-CD1 3.89Å; P23-I67 HydrophobicContact CG-CG1 4.13Å; P23-I67 HydrophobicContact CG-CG2 3.84Å; R48-I67 CarbonylContact C-O 3.5Å; R48-I67 WeakPolarHBondContact CA-O 3.19Å; R48-I67 VanDerWaalsContact CB-O 3.31Å; R48-I67 WeakPolarHBondContact CB-O 3.39Å; I49-I67 HydrophobicContact CB-CB 4.38Å; I49-I67 HydrophobicContact CD1-CD1 4.47Å; I49-I67 PolarHBondContact N-O 2.88Å; I49-I67 PolarHBondContact O-N 3.44Å; I51-I67 HydrophobicContact CD1-CD1 4.42Å; I51-I67 HydrophobicContact CD1-CG1 4.4Å; I67-L69 HydrophobicContact CG2-CD2 4.27Å; I67-W74 HydrophobicContact CD1-CE3 4.5Å; I67-W74 HydrophobicContact CD1-CH2 3.67Å; I67-W74 HydrophobicContact CD1-CZ2 3.81Å; I67-W74 HydrophobicContact CD1-CZ3 4.05Å; I67-W74 HydrophobicContact CG1-CD2 3.87Å; I67-W74 HydrophobicContact CG1-CE3 3.62Å; I67-W74 HydrophobicContact CG1-CH2 3.69Å; I67-W74 HydrophobicContact CG1-CZ2 3.92Å; I67-W74 HydrophobicContact CG1-CZ3 3.54Å; I67-F329 HydrophobicContact CD1-CE2 4.13Å; I67-F329 HydrophobicContact CD1-CZ 3.85Å
68N95.9Very high93.9Very high38 Ų3847.4 Ų47.420%0.20327%0.265CS..EExtended strand (participates in β ladder)trans-77.4121.3169.3177.7-8.1000108.7D70 N71 H72 E73 I75N68-D70 VanDerWaalsContact C-N 3.33Å; N68-D70 WeakPolarHBondContact OD1-CB 3.5Å; N68-D70 PolarHBondContact OD1-N 3.29Å; N68-N71 VanDerWaalsContact CB-OD1 3.23Å; N68-N71 WeakPolarHBondContact CB-OD1 3.14Å; N68-N71 PolarHBondContact ND2-OD1 2.91Å; N68-N71 PolarHBondContact O-OD1 2.89Å; N68-H72 WeakPolarHBondContact O-CA 3.49Å; N68-H72 PolarHBondContact O-N 2.86Å; N68-E73 PolarHBondContact N-O 2.98Å; N68-E73 PolarHBondContact O-N 2.82Å; N68-I75 HydrophobicContact CB-CD1 3.65Å; N68-I75 HydrophobicContact CB-CG1 4.26Å
69L96.1Very high94.1Very high5 Ų544.1 Ų44.13%0.02624%0.237CC..THydrogen-bonded Turntrans-84.3-9.3-174.7-62.5169000113F38 K46 G47 I49 I67 H72 L302F38-L69 HydrophobicContact CD2-CD1 3.89Å; F38-L69 HydrophobicContact CE2-CD1 3.6Å; K46-L69 HydrophobicContact CB-CB 3.75Å; K46-L69 WeakPolarHBondContact CD-O 3.47Å; G47-L69 WeakPolarHBondContact O-CB 3.22Å; G47-L69 PolarHBondContact O-N 2.91Å; G47-L69 VanDerWaalsContact O-N 3.08Å; I49-L69 HydrophobicContact CD1-CD2 4.17Å; I49-L69 HydrophobicContact CG1-CD1 4.25Å; I49-L69 HydrophobicContact CG1-CD2 4.25Å; I67-L69 HydrophobicContact CG2-CD2 4.27Å; L69-H72 PolarHBondContact O-CD2 3.47Å; L69-H72 PolarHBondContact O-NE2 2.94Å; L69-H72 VanDerWaalsContact O-NE2 3.07Å; L69-L302 HydrophobicContact CD1-CD1 3.46Å; L69-L302 VanDerWaalsContact CD1-CD1 3.46Å; L69-L302 HydrophobicContact CD2-CD1 4.06Å; L69-L302 HydrophobicContact CG-CD1 4.42Å
70D94.3Very high94.2Very high81 Ų8149.9 Ų49.943%0.43326%0.256SS..THydrogen-bonded Turntrans-75.4-41.8174.7-66.8-53.6000111.5K46 N68K46-D70 WeakPolarHBondContact CB-OD1 3.18Å; K46-D70 PolarHBondContact N-OD1 3.03Å; N68-D70 VanDerWaalsContact C-N 3.33Å; N68-D70 WeakPolarHBondContact OD1-CB 3.5Å; N68-D70 PolarHBondContact OD1-N 3.29Å
71N94.5Very high94.3Very high78 Ų7850.9 Ų50.942%0.41727%0.271SS..THydrogen-bonded Turntrans-112.9-1.5-179.470.7-12.6000114N68 E73N68-N71 VanDerWaalsContact CB-OD1 3.23Å; N68-N71 WeakPolarHBondContact CB-OD1 3.14Å; N68-N71 PolarHBondContact ND2-OD1 2.91Å; N68-N71 PolarHBondContact O-OD1 2.89Å; N71-E73 VanDerWaalsContact C-N 3.34Å; N71-E73 PolarHBondContact ND2-OE2 2.85Å; N71-E73 PolarHBondContact O-N 3.15Å; N71-E73 WeakPolarHBondContact OD1-CB 3.32Å; N71-E73 PolarHBondContact OD1-N 3.22Å
72H95.3Very high94.4Very high17 Ų1749.3 Ų49.38%0.07926%0.264CS..THydrogen-bonded Turntrans53.448.3-178.7-62.8-101000112.6P9 P23 S24 N68 L69 W304P9-H72 WeakPolarHBondContact CB-NE2 3.31Å; P9-H72 HydrophobicContact CG-CB 4.17Å; P9-H72 VanDerWaalsContact CG-CD2 3.48Å; P9-H72 WeakPolarHBondContact CG-CD2 3.34Å; P23-H72 CarbonylContact C-O 3.47Å; P23-H72 WeakPolarHBondContact CA-O 3.48Å; P23-H72 WeakPolarHBondContact CB-O 3.18Å; S24-H72 PolarHBondContact N-O 3.45Å; S24-H72 PolarHBondContact OG-O 2.84Å; N68-H72 WeakPolarHBondContact O-CA 3.49Å; N68-H72 PolarHBondContact O-N 2.86Å; L69-H72 PolarHBondContact O-CD2 3.47Å; L69-H72 PolarHBondContact O-NE2 2.94Å; L69-H72 VanDerWaalsContact O-NE2 3.07Å; H72-W304 AromaticContact CE1-CH2 3.35Å; H72-W304 WeakPolarHBondContact CE1-CH2 3.3Å; H72-W304 AromaticContact CE1-CZ3 3.62Å
73E96.3Very high94.5Very high82 Ų8249.9 Ų49.938%0.38326%0.261SS..EExtended strand (participates in β ladder)trans-122.2142.7-179.1-170.1179-172.100111.5S24 N68 N71S24-E73 WeakPolarHBondContact O-CA 3.38Å; N68-E73 PolarHBondContact N-O 2.98Å; N68-E73 PolarHBondContact O-N 2.82Å; N71-E73 VanDerWaalsContact C-N 3.34Å; N71-E73 PolarHBondContact ND2-OE2 2.85Å; N71-E73 PolarHBondContact O-N 3.15Å; N71-E73 WeakPolarHBondContact OD1-CB 3.32Å; N71-E73 PolarHBondContact OD1-N 3.22Å
74W96.5Very high94.6Very high13 Ų1346.9 Ų46.95%0.04925%0.252CS..EExtended strand (participates in β ladder)trans-69.7127.3168.8-75.7107.7000111.2P23 S24 S26 T27 P28 I51 A66 I67 F331P23-W74 HydrophobicContact CB-CG 4.36Å; S24-W74 PolarHBondContact O-N 2.9Å; S26-W74 WeakPolarHBondContact O-CB 3.29Å; T27-W74 HydrophobicContact CG2-CZ2 4.09Å; P28-W74 VanDerWaalsContact CD-CH2 3.46Å; P28-W74 HydrophobicContact CG-CE3 3.89Å; P28-W74 HydrophobicContact CG-CH2 3.69Å; P28-W74 HydrophobicContact CG-CZ2 4.36Å; P28-W74 HydrophobicContact CG-CZ3 3.41Å; P28-W74 VanDerWaalsContact CG-CZ3 3.41Å; I51-W74 HydrophobicContact CD1-CH2 3.84Å; I51-W74 HydrophobicContact CD1-CZ3 3.55Å; I51-W74 HydrophobicContact CG1-CH2 4.24Å; I51-W74 HydrophobicContact CG1-CZ3 4.17Å; A66-W74 CarbonylContact O-C 3.52Å; A66-W74 WeakPolarHBondContact O-CA 3.37Å; I67-W74 HydrophobicContact CD1-CE3 4.5Å; I67-W74 HydrophobicContact CD1-CH2 3.67Å; I67-W74 HydrophobicContact CD1-CZ2 3.81Å; I67-W74 HydrophobicContact CD1-CZ3 4.05Å; I67-W74 HydrophobicContact CG1-CD2 3.87Å; I67-W74 HydrophobicContact CG1-CE3 3.62Å; I67-W74 HydrophobicContact CG1-CH2 3.69Å; I67-W74 HydrophobicContact CG1-CZ2 3.92Å; I67-W74 HydrophobicContact CG1-CZ3 3.54Å; W74-F331 HydrophobicContact CH2-CD2 4.23Å; W74-F331 AromaticContact CH2-CE2 3.68Å; W74-F331 HydrophobicContact CH2-CE2 3.68Å; W74-F331 AromaticContact CH2-CZ 3.94Å; W74-F331 HydrophobicContact CH2-CZ 3.94Å; W74-F331 AromaticContact CZ2-CE2 3.86Å; W74-F331 HydrophobicContact CZ2-CE2 3.86Å; W74-F331 HydrophobicContact CZ2-CZ 4.43Å
75I92.9Very high94.7Very high60 Ų6046.8 Ų46.831%0.30825%0.251SS..EExtended strand (participates in β ladder)trans-106.7115.3172-59.1178.9000108A66 N68A66-I75 HydrophobicContact CB-CB 4.39Å; A66-I75 PolarHBondContact N-O 3.06Å; A66-I75 PolarHBondContact O-N 2.76Å; N68-I75 HydrophobicContact CB-CD1 3.65Å; N68-I75 HydrophobicContact CB-CG1 4.26Å
76T86.4Confident94.7Very high92 Ų9247.5 Ų47.556%0.56425%0.253SS*.EExtended strand (participates in β ladder)trans-77.8119.6160.4-54.50000107.8Y65Y65-T76 HydrophobicContact CE1-CG2 4.42Å
77S84.4Confident94.7Very high18 Ų1849 Ų4913%0.12626%0.26CS..  trans-98.1147.6-177.875.40000112S64 W79S64-S77 PolarHBondContact O-OG 3.11Å; S77-W79 VanDerWaalsContact CB-CE3 3.49Å; S77-W79 PolarHBondContact O-N 3.32Å
78D87.3Confident94.7Very high130 Ų13049 Ų4970%0.69526%0.26SS*.  trans-91.329.7168.3-78.6-31.9000111.7K80 Q126D78-K80 WeakPolarHBondContact O-CG 3.27Å; D78-K80 PolarHBondContact O-N 2.96Å; D78-Q126 PolarHBondContact O-NE2 3.12Å
79W95.3Very high94.8Very high31 Ų3147.3 Ų47.312%0.11725%0.251CS..  trans-73.889.4177.3-55.7-28.4000109.5V50 A66 S77 L118 F120 P125V50-W79 HydrophobicContact CG1-CZ3 3.94Å; A66-W79 HydrophobicContact CB-CH2 3.99Å; A66-W79 HydrophobicContact CB-CZ3 4.41Å; S77-W79 VanDerWaalsContact CB-CE3 3.49Å; S77-W79 PolarHBondContact O-N 3.32Å; W79-L118 HydrophobicContact CB-CD1 4.11Å; W79-L118 HydrophobicContact CB-CD2 4.13Å; W79-L118 HydrophobicContact CD2-CD2 3.58Å; W79-L118 HydrophobicContact CE3-CD2 3.41Å; W79-L118 VanDerWaalsContact CE3-CD2 3.41Å; W79-L118 HydrophobicContact CG-CD1 4.12Å; W79-L118 HydrophobicContact CG-CD2 3.91Å; W79-L118 HydrophobicContact CZ3-CD2 4.12Å; W79-F120 HydrophobicContact CD2-CE1 4.34Å; W79-F120 HydrophobicContact CE3-CE1 4.07Å; W79-F120 AromaticContact CH2-CD1 3.99Å; W79-F120 HydrophobicContact CH2-CD1 3.99Å; W79-F120 AromaticContact CH2-CE1 3.41Å; W79-F120 HydrophobicContact CH2-CE1 3.41Å; W79-F120 VanDerWaalsContact CH2-CE1 3.41Å; W79-F120 HydrophobicContact CH2-CZ 4.44Å; W79-F120 AromaticContact CZ2-CD1 3.79Å; W79-F120 HydrophobicContact CZ2-CD1 3.79Å; W79-F120 AromaticContact CZ2-CE1 3.66Å; W79-F120 HydrophobicContact CZ2-CE1 3.66Å; W79-F120 AromaticContact CZ3-CE1 3.64Å; W79-F120 HydrophobicContact CZ3-CE1 3.64Å; W79-F120 HydrophobicContact CZ3-CZ 4.42Å; W79-P125 VanDerWaalsContact CD1-O 3.24Å
80K95.9Very high94.9Very high143 Ų14347.2 Ų47.262%0.62225%0.251SS*.  trans-83.8169.8-178.6-48178-179.7174.20110.8D78 Q126 W127D78-K80 WeakPolarHBondContact O-CG 3.27Å; D78-K80 PolarHBondContact O-N 2.96Å; K80-Q126 VanDerWaalsContact CA-OE1 3.27Å; K80-Q126 PolarHBondContact O-OE1 3.11Å; K80-W127 WeakPolarHBondContact O-CB 3.45Å; K80-W127 PolarHBondContact O-N 2.93Å
81G97.1Very high95Very high50 Ų5043.6 Ų43.652%0.51523%0.232SC..  trans97.4-7.2173.500000114.8E83 Q116 W127G81-E83 PolarHBondContact O-N 2.95Å; G81-Q116 PolarHBondContact O-NE2 2.64Å; G81-W127 VanDerWaalsContact C-CB 3.49Å
82L97.8Very high95.1Very high10 Ų1042 Ų425%0.05222%0.224CC..PPolyproline II helixtrans-65.4126.9172.6-176.163.3000108.4V52 S62 V102 W127V52-L82 HydrophobicContact CG1-CD1 4.33Å; V52-L82 HydrophobicContact CG1-CD2 3.44Å; V52-L82 VanDerWaalsContact CG1-CD2 3.44Å; S62-L82 WeakPolarHBondContact CB-O 3.46Å; S62-L82 WeakPolarHBondContact O-CB 3.34Å; S62-L82 WeakPolarHBondContact O-CD2 3.32Å; L82-V102 HydrophobicContact CD1-CG2 4.04Å; L82-W127 HydrophobicContact CB-CB 4.23Å; L82-W127 HydrophobicContact CB-CD2 4.12Å; L82-W127 HydrophobicContact CB-CG 3.73Å; L82-W127 HydrophobicContact CD1-CD2 3.87Å; L82-W127 HydrophobicContact CD1-CE3 4.03Å; L82-W127 HydrophobicContact CD1-CG 4.31Å; L82-W127 HydrophobicContact CD1-CZ2 4.36Å; L82-W127 HydrophobicContact CD1-CZ3 4.37Å; L82-W127 HydrophobicContact CD2-CZ2 4.5Å; L82-W127 HydrophobicContact CG-CD2 4.49Å; L82-W127 VanDerWaalsContact N-CB 3.34Å
83E97.1Very high95.1Very high59 Ų5941.2 Ų41.228%0.27622%0.221SC..PPolyproline II helixtrans-76.1125.8168.4-58.8177.2-179.800108.5G81 R85 R112 C114 N129G81-E83 PolarHBondContact O-N 2.95Å; E83-R85 WeakPolarHBondContact O-CG 3.49Å; E83-R85 PolarHBondContact O-N 3.35Å; E83-R85 PolarHBondContact O-NE 3.3Å; E83-R85 IonicContact OE2-NH2 3.7Å; E83-R112 IonicContact OE2-CZ 3.41Å; E83-R112 IonicContact OE2-NH1 2.75Å; E83-R112 PolarHBondContact OE2-NH1 2.8Å; E83-C114 PolarHBondContact OE2-SG 2.9Å; E83-N129 PolarHBondContact OE1-ND2 3.35Å; E83-N129 PolarHBondContact OE1-OD1 2.85Å
84A96.9Very high95Very high23 Ų2344.7 Ų44.719%0.1924%0.237CC..PPolyproline II helixtrans-53.2131.8-173.400000112.6S60 F61 R112S60-A84 WeakPolarHBondContact O-CB 3.28Å; F61-A84 CarbonylContact O-C 3.5Å; F61-A84 WeakPolarHBondContact O-CA 3.36Å; A84-R112 VanDerWaalsContact O-CZ 3.3Å; A84-R112 PolarHBondContact O-NE 3.4Å; A84-R112 PolarHBondContact O-NH2 2.81Å
85R97.3Very high94.9Very high0 Ų047.6 Ų47.60%026%0.26CS..  trans-160150.8-171.761.3-175.972.7-149.27114.1G54 F61 E83 H88 G104 A106 C114G54-R85 PolarHBondContact N-O 3.39Å; F61-R85 PolarHBondContact O-N 2.99Å; E83-R85 WeakPolarHBondContact O-CG 3.49Å; E83-R85 PolarHBondContact O-N 3.35Å; E83-R85 PolarHBondContact O-NE 3.3Å; E83-R85 IonicContact OE2-NH2 3.7Å; R85-H88 HydrophobicContact CG-CB 4.4Å; R85-G104 PolarHBondContact NH1-O 2.84Å; R85-A106 CarbonylContact C-O 3.52Å; R85-A106 VanDerWaalsContact CA-O 3.24Å; R85-A106 WeakPolarHBondContact CA-O 3.41Å; R85-C114 PolarHBondContact NH2-SG 2.96Å
86Y96.9Very high95Very high67 Ų6746.6 Ų46.626%0.26326%0.258SS..BIsolated β-bridgetrans-134.8163.9167.666-75.9000110.4G33 A55 H88 G105 A106G33-Y86 CarbonylContact O-C 3.57Å; G33-Y86 WeakPolarHBondContact O-CA 3.39Å; A55-Y86 HydrophobicContact CB-CD1 3.62Å; A55-Y86 HydrophobicContact CB-CD2 4.18Å; A55-Y86 HydrophobicContact CB-CE1 4.31Å; A55-Y86 HydrophobicContact CB-CG 3.56Å; Y86-H88 PolarHBondContact O-N 3.16Å; Y86-G105 CarbonylContact O-C 3.58Å; Y86-G105 WeakPolarHBondContact O-CA 3.38Å; Y86-A106 HydrophobicContact CD1-CB 4.16Å; Y86-A106 WeakPolarHBondContact CD1-O 3.28Å; Y86-A106 HydrophobicContact CE1-CB 3.57Å; Y86-A106 WeakPolarHBondContact CE1-O 3.2Å; Y86-A106 HydrophobicContact CE2-CB 4.07Å; Y86-A106 PolarHBondContact N-O 2.91Å; Y86-A106 PolarHBondContact O-N 2.94Å
87E96.9Very high95.4Very high32 Ų3245 Ų4515%0.1525%0.249CC..SBendtrans49.630.9-173.9-62.9173.8-170.900114.2G33 T141 Y142 H143G33-E87 PolarHBondContact O-N 3.31Å; E87-T141 HydrophobicContact CB-CG2 4Å; E87-T141 CarbonylContact O-C 3.47Å; E87-T141 WeakPolarHBondContact O-CA 3.06Å; E87-T141 WeakPolarHBondContact O-CB 3.27Å; E87-T141 VanDerWaalsContact OE2-CB 3.28Å; E87-T141 WeakPolarHBondContact OE2-CB 3.31Å; E87-T141 WeakPolarHBondContact OE2-CG2 3.39Å; E87-T141 PolarHBondContact OE2-OG1 3.42Å; E87-T141 VanDerWaalsContact OE2-OG1 3.06Å; E87-Y142 PolarHBondContact O-N 2.97Å; E87-H143 PolarHBondContact O-N 2.75Å; E87-H143 IonicContact OE1-CE1 2.64Å; E87-H143 PolarHBondContact OE1-CE1 2.99Å; E87-H143 VanDerWaalsContact OE1-CE1 3.26Å; E87-H143 IonicContact OE1-ND1 3.4Å; E87-H143 IonicContact OE2-CD2 2.99Å; E87-H143 IonicContact OE2-CE1 3.74Å; E87-H143 PolarHBondContact OE2-CE1 3.44Å; E87-H143 IonicContact OE2-ND1 2.54Å; E87-H143 IonicContact OE2-NE2 3.73Å
88H98Very high95.9Very high0 Ų044.8 Ų44.80%025%0.246CC..  trans-78.9168.8169.557.8-76000109.7T35 V52 R85 Y86 F103 G104 T144T35-H88 WeakPolarHBondContact CG2-O 3.04Å; T35-H88 PolarHBondContact OG1-NE2 3.11Å; V52-H88 PolarHBondContact O-CE1 2.95Å; V52-H88 PolarHBondContact O-NE2 3.39Å; R85-H88 HydrophobicContact CG-CB 4.4Å; Y86-H88 PolarHBondContact O-N 3.16Å; H88-F103 WeakPolarHBondContact CB-O 3.47Å; H88-G104 WeakPolarHBondContact CB-O 3.16Å; H88-T144 VanDerWaalsContact O-CA 3.28Å; H88-T144 WeakPolarHBondContact O-CA 3.36Å; H88-T144 PolarHBondContact O-N 3.25Å
89C97.3Very high96.4Very high2 Ų238.6 Ų38.61%0.01421%0.213CC..EExtended strand (participates in β ladder)trans-101.1150164.571.30000109.9V102 F103 Y142 S145C89-V102 VanDerWaalsContact O-CA 3.32Å; C89-V102 WeakPolarHBondContact O-CA 3.41Å; C89-F103 PolarHBondContact N-O 3.48Å; C89-F103 VanDerWaalsContact N-O 3.1Å; C89-F103 PolarHBondContact O-N 2.55Å; C89-Y142 HydrophobicContact CB-CG 4.35Å; C89-S145 WeakPolarHBondContact CB-O 3.28Å
90S97.9Very high96.6Very high3 Ų337.1 Ų37.12%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-129.9153.2168.765.70000111.6T35 T37 W101 S146T35-S90 WeakPolarHBondContact CB-OG 3.47Å; T35-S90 VanDerWaalsContact OG1-CB 3.28Å; T35-S90 WeakPolarHBondContact OG1-CB 3.14Å; T35-S90 PolarHBondContact OG1-OG 2.96Å; T37-S90 PolarHBondContact OG1-OG 3.48Å; S90-W101 WeakPolarHBondContact CA-O 3.43Å; S90-W101 WeakPolarHBondContact CB-O 3.42Å; S90-S146 VanDerWaalsContact O-CB 3.29Å; S90-S146 WeakPolarHBondContact O-CB 3.29Å; S90-S146 PolarHBondContact O-OG 2.89Å
91F97.6Very high96.7Very high6 Ų630.6 Ų30.63%0.02618%0.179CC..EExtended strand (participates in β ladder)trans-161.7159.4-176.965.8-75.5000111.3W101 C148 L153 T176F91-W101 HydrophobicContact CD1-CB 3.82Å; F91-W101 HydrophobicContact CD2-CB 4.29Å; F91-W101 HydrophobicContact CE1-CB 3.34Å; F91-W101 HydrophobicContact CE1-CG 4.26Å; F91-W101 HydrophobicContact CE2-CB 3.9Å; F91-W101 AromaticContact CE2-CG 4Å; F91-W101 HydrophobicContact CE2-CG 4Å; F91-W101 HydrophobicContact CG-CB 4.27Å; F91-W101 HydrophobicContact CZ-CB 3.39Å; F91-W101 HydrophobicContact CZ-CD2 4.38Å; F91-W101 AromaticContact CZ-CG 3.81Å; F91-W101 HydrophobicContact CZ-CG 3.81Å; F91-W101 PolarHBondContact N-O 2.88Å; F91-W101 PolarHBondContact O-N 2.73Å; F91-C148 HydrophobicContact CB-CB 4.35Å; F91-C148 HydrophobicContact CD2-CB 4.15Å; F91-L153 HydrophobicContact CD1-CD1 3.86Å; F91-L153 HydrophobicContact CD1-CD2 4.26Å; F91-L153 HydrophobicContact CD1-CG 4.47Å; F91-L153 HydrophobicContact CE1-CB 4.16Å; F91-L153 HydrophobicContact CE1-CD1 4.01Å; F91-L153 HydrophobicContact CE1-CD2 3.61Å; F91-L153 HydrophobicContact CE1-CG 4.12Å; F91-L153 HydrophobicContact CE2-CB 4Å; F91-L153 HydrophobicContact CG-CD1 4.17Å; F91-L153 HydrophobicContact CZ-CB 3.78Å; F91-L153 HydrophobicContact CZ-CD1 4.42Å; F91-L153 HydrophobicContact CZ-CD2 3.98Å; F91-L153 HydrophobicContact CZ-CG 4.26Å; F91-T176 HydrophobicContact CE2-CG2 3.68Å; F91-T176 HydrophobicContact CZ-CG2 4.07Å
92V96.8Very high96.7Very high43 Ų4328.2 Ų28.226%0.26115%0.154SC..EExtended strand (participates in β ladder)trans-111.4144.4166.6-66.40000108.7T37 V39 L100T37-V92 HydrophobicContact CG2-CG1 4.04Å; V39-V92 HydrophobicContact CG2-CG1 4.27Å; V92-L100 HydrophobicContact CG1-CD1 4.3Å
93S94.4Very high96.8Very high2 Ų227.8 Ų27.81%0.01415%0.152CC..EExtended strand (participates in β ladder)trans-92.8149.4176.569.80000110.5S95 C96 D151 T176S93-S95 VanDerWaalsContact C-N 3.34Å; S93-S95 PolarHBondContact O-N 3.31Å; S93-C96 CarbonylContact O-C 3.57Å; S93-C96 PolarHBondContact O-N 2.94Å; S93-C96 VanDerWaalsContact O-N 3.11Å; S93-D151 WeakPolarHBondContact CB-OD1 3.29Å; S93-T176 WeakPolarHBondContact CB-OG1 3.39Å
94E93.6Very high96.8Very high154 Ų15425 Ų2572%0.7214%0.139SC*.THydrogen-bonded Turntrans-61.1-41.4-177.2-174.1177.1164.700112.2C96 G150E94-C96 PolarHBondContact O-N 3.25Å; E94-G150 PolarHBondContact N-O 3.43Å; E94-G150 WeakPolarHBondContact OE2-CA 3.42Å
95S95.1Very high96.8Very high75 Ų7523.9 Ų23.952%0.52413%0.13SC..THydrogen-bonded Turntrans-72.2-14.4178.665.70000114S93 D151S93-S95 VanDerWaalsContact C-N 3.34Å; S93-S95 PolarHBondContact O-N 3.31Å; S95-D151 WeakPolarHBondContact CB-OD1 3.47Å; S95-D151 WeakPolarHBondContact CB-OD2 3.28Å; S95-D151 PolarHBondContact N-OD1 3.04Å; S95-D151 PolarHBondContact OG-OD1 2.93Å; S95-D151 PolarHBondContact OG-OD2 2.88Å
96C95.4Very high96.7Very high39 Ų3924 Ų2426%0.26413%0.131SC..EExtended strand (participates in β ladder)trans-144.871-175.4-1530000111.6S93 E94 Q98 C99S93-C96 CarbonylContact O-C 3.57Å; S93-C96 PolarHBondContact O-N 2.94Å; S93-C96 VanDerWaalsContact O-N 3.11Å; E94-C96 PolarHBondContact O-N 3.25Å; C96-Q98 PolarHBondContact O-N 2.9Å; C96-Q98 VanDerWaalsContact O-N 3.12Å; C96-C99 HydrophobicContact CB-CB 3.91Å; C96-C99 WeakPolarHBondContact O-CB 3.41Å; C96-C99 PolarHBondContact O-N 2.81Å; C96-C99 VanDerWaalsContact SG-CB 3.56Å
97P94.6Very high96.5Very high59 Ų5923.7 Ų23.738%0.38313%0.132SC..EExtended strand (participates in β ladder)trans-66-16.1-17626.4-35.3000113.9P40P40-P97 HydrophobicContact CG-CB 3.82Å
98Q96.1Very high96Very high12 Ų1230.8 Ų30.86%0.05617%0.165CC..EExtended strand (participates in β ladder)trans-89.24.9171.9-65.4-49.7-58.700114.4P40 E42 C96 F120P40-Q98 PolarHBondContact O-NE2 2.95Å; E42-Q98 VanDerWaalsContact CD-CG 3.43Å; E42-Q98 VanDerWaalsContact CG-CD 3.44Å; E42-Q98 HydrophobicContact CG-CG 3.31Å; E42-Q98 WeakPolarHBondContact OE1-CG 3.41Å; C96-Q98 PolarHBondContact O-N 2.9Å; C96-Q98 VanDerWaalsContact O-N 3.12Å; Q98-F120 WeakPolarHBondContact O-CD2 3.44Å; Q98-F120 PolarHBondContact O-N 2.88Å
99C97.1Very high95.6Very high1 Ų136.5 Ų36.51%0.00720%0.2CC..EExtended strand (participates in β ladder)trans-108.2109.1177.7-155.20000109.5C96 W101 L118 Q119C96-C99 HydrophobicContact CB-CB 3.91Å; C96-C99 WeakPolarHBondContact O-CB 3.41Å; C96-C99 PolarHBondContact O-N 2.81Å; C96-C99 VanDerWaalsContact SG-CB 3.56Å; C99-W101 VanDerWaalsContact O-CD1 3.22Å; C99-L118 WeakPolarHBondContact CA-O 3.36Å; C99-Q119 PolarHBondContact SG-OE1 3.3Å
100L98.1Very high95.4Very high0 Ų037.9 Ų37.90%021%0.214CC..EExtended strand (participates in β ladder)trans-87.2126.5171.6-17862.1000109.4T37 V50 V52 V92 K117 L118 F120 W127T37-L100 HydrophobicContact CG2-CD1 3.72Å; V50-L100 HydrophobicContact CB-CD2 3.97Å; V50-L100 HydrophobicContact CG1-CD2 3.65Å; V52-L100 HydrophobicContact CG2-CD2 3.69Å; V92-L100 HydrophobicContact CG1-CD1 4.3Å; L100-K117 CarbonylContact O-C 3.48Å; L100-K117 VanDerWaalsContact O-CA 3.23Å; L100-K117 WeakPolarHBondContact O-CA 3.44Å; L100-L118 PolarHBondContact N-O 3.13Å; L100-L118 PolarHBondContact O-N 2.99Å; L100-F120 HydrophobicContact CB-CE2 3.77Å; L100-F120 HydrophobicContact CB-CZ 4.02Å; L100-F120 HydrophobicContact CD2-CZ 4.25Å; L100-W127 HydrophobicContact CD2-CH2 3.98Å; L100-W127 HydrophobicContact CD2-CZ2 4.4Å; L100-W127 HydrophobicContact CG-CH2 4.13Å
101W98.5Very high95.4Very high6 Ų639.8 Ų39.82%0.02322%0.224CC..EExtended strand (participates in β ladder)trans-109.3145.3177.6-60.780.6000110.1S90 F91 C99 I115 Q116 K117 V130 F174 T176S90-W101 WeakPolarHBondContact CA-O 3.43Å; S90-W101 WeakPolarHBondContact CB-O 3.42Å; F91-W101 HydrophobicContact CD1-CB 3.82Å; F91-W101 HydrophobicContact CD2-CB 4.29Å; F91-W101 HydrophobicContact CE1-CB 3.34Å; F91-W101 HydrophobicContact CE1-CG 4.26Å; F91-W101 HydrophobicContact CE2-CB 3.9Å; F91-W101 AromaticContact CE2-CG 4Å; F91-W101 HydrophobicContact CE2-CG 4Å; F91-W101 HydrophobicContact CG-CB 4.27Å; F91-W101 HydrophobicContact CZ-CB 3.39Å; F91-W101 HydrophobicContact CZ-CD2 4.38Å; F91-W101 AromaticContact CZ-CG 3.81Å; F91-W101 HydrophobicContact CZ-CG 3.81Å; F91-W101 PolarHBondContact N-O 2.88Å; F91-W101 PolarHBondContact O-N 2.73Å; C99-W101 VanDerWaalsContact O-CD1 3.22Å; W101-I115 HydrophobicContact CE3-CG2 3.58Å; W101-I115 HydrophobicContact CZ3-CG2 3.96Å; W101-Q116 WeakPolarHBondContact CA-O 3.27Å; W101-K117 HydrophobicContact CD2-CB 3.82Å; W101-K117 HydrophobicContact CD2-CD 4.48Å; W101-K117 HydrophobicContact CE3-CB 3.74Å; W101-K117 HydrophobicContact CE3-CD 4.21Å; W101-K117 HydrophobicContact CG-CB 4.37Å; W101-K117 HydrophobicContact CH2-CB 4.5Å; W101-K117 HydrophobicContact CH2-CD 3.48Å; W101-K117 VanDerWaalsContact CH2-CD 3.48Å; W101-K117 HydrophobicContact CZ2-CD 3.73Å; W101-K117 HydrophobicContact CZ3-CB 4.12Å; W101-K117 HydrophobicContact CZ3-CD 3.75Å; W101-K117 HydrophobicContact CZ3-CG 4.46Å; W101-V130 HydrophobicContact CE3-CG2 4.34Å; W101-V130 HydrophobicContact CZ3-CB 4.46Å; W101-V130 HydrophobicContact CZ3-CG1 4.23Å; W101-V130 HydrophobicContact CZ3-CG2 3.73Å; W101-F174 HydrophobicContact CE3-CE1 4.06Å; W101-F174 HydrophobicContact CH2-CE1 4.43Å; W101-F174 AromaticContact CZ3-CE1 3.75Å; W101-F174 HydrophobicContact CZ3-CE1 3.75Å; W101-F174 HydrophobicContact CZ3-CZ 4.08Å; W101-T176 HydrophobicContact CD2-CG2 4.06Å; W101-T176 HydrophobicContact CE3-CG2 4.41Å; W101-T176 HydrophobicContact CH2-CG2 4.3Å; W101-T176 HydrophobicContact CZ2-CG2 3.98Å
102V98.4Very high95.3Very high0 Ų041 Ų410%023%0.229CC..EExtended strand (participates in β ladder)trans-127.1141.3168.6-61.60000110.4V52 L82 C89 I115 Q116 W127V52-V102 HydrophobicContact CG1-CG1 4.08Å; L82-V102 HydrophobicContact CD1-CG2 4.04Å; C89-V102 VanDerWaalsContact O-CA 3.32Å; C89-V102 WeakPolarHBondContact O-CA 3.41Å; V102-I115 WeakPolarHBondContact O-CA 3.43Å; V102-Q116 HydrophobicContact CG2-CB 3.69Å; V102-Q116 PolarHBondContact N-O 2.99Å; V102-Q116 PolarHBondContact O-N 2.94Å; V102-W127 HydrophobicContact CB-CZ3 4.38Å; V102-W127 HydrophobicContact CG1-CH2 3.65Å; V102-W127 HydrophobicContact CG1-CZ3 3.82Å; V102-W127 HydrophobicContact CG2-CE3 4.33Å; V102-W127 HydrophobicContact CG2-CH2 4.36Å; V102-W127 HydrophobicContact CG2-CZ3 3.76Å
103F98.4Very high95.2Very high0 Ų043.9 Ų43.90%024%0.238CC..EExtended strand (participates in β ladder)trans-133.5140.7175.1166.4-104.5000111.1H88 C89 K113 I115 P137 R140 Y142 L153 V155 W181H88-F103 WeakPolarHBondContact CB-O 3.47Å; C89-F103 PolarHBondContact N-O 3.48Å; C89-F103 VanDerWaalsContact N-O 3.1Å; C89-F103 PolarHBondContact O-N 2.55Å; F103-K113 WeakPolarHBondContact CE2-O 3.21Å; F103-I115 HydrophobicContact CB-CG1 4.21Å; F103-I115 HydrophobicContact CD2-CG1 3.75Å; F103-I115 HydrophobicContact CG-CG1 4.4Å; F103-P137 HydrophobicContact CE1-CG 4.36Å; F103-P137 HydrophobicContact CE2-CG 3.73Å; F103-P137 HydrophobicContact CZ-CB 4.19Å; F103-P137 HydrophobicContact CZ-CG 3.35Å; F103-R140 HydrophobicContact CE1-CG 4.12Å; F103-R140 HydrophobicContact CZ-CG 4.23Å; F103-Y142 HydrophobicContact CD1-CE2 4.41Å; F103-Y142 HydrophobicContact CE1-CD2 4.34Å; F103-Y142 AromaticContact CE1-CE2 3.91Å; F103-Y142 HydrophobicContact CE1-CE2 3.91Å; F103-L153 HydrophobicContact CB-CD2 4.07Å; F103-L153 HydrophobicContact CD1-CD2 4.28Å; F103-L153 HydrophobicContact CG-CD2 4.31Å; F103-V155 HydrophobicContact CD1-CG2 3.97Å; F103-V155 HydrophobicContact CE1-CB 4.47Å; F103-V155 HydrophobicContact CE1-CG1 3.72Å; F103-V155 HydrophobicContact CE1-CG2 3.84Å; F103-V155 HydrophobicContact CZ-CG1 4.23Å; F103-W181 HydrophobicContact CD1-CH2 4.34Å; F103-W181 AromaticContact CD2-CH2 4Å; F103-W181 HydrophobicContact CD2-CH2 4Å; F103-W181 AromaticContact CD2-CZ2 3.6Å; F103-W181 HydrophobicContact CD2-CZ2 3.6Å; F103-W181 HydrophobicContact CE1-CH2 4.2Å; F103-W181 AromaticContact CE2-CH2 3.84Å; F103-W181 HydrophobicContact CE2-CH2 3.84Å; F103-W181 AromaticContact CE2-CZ2 3.49Å; F103-W181 HydrophobicContact CE2-CZ2 3.49Å; F103-W181 VanDerWaalsContact CE2-CZ2 3.49Å; F103-W181 HydrophobicContact CG-CH2 4.25Å; F103-W181 HydrophobicContact CG-CZ2 4.25Å; F103-W181 AromaticContact CZ-CH2 3.96Å; F103-W181 HydrophobicContact CZ-CH2 3.96Å; F103-W181 HydrophobicContact CZ-CZ2 4.08Å
104G97.4Very high95.3Very high0 Ų045.4 Ų45.40%025%0.248CC..  trans66.3-145.417400000113.3R85 H88 R112 C114R85-G104 PolarHBondContact NH1-O 2.84Å; H88-G104 WeakPolarHBondContact CB-O 3.16Å; G104-R112 WeakPolarHBondContact CA-O 3.18Å; G104-C114 PolarHBondContact N-O 3.28Å
105G97.4Very high95.6Very high0 Ų038.2 Ų38.20%022%0.215CC..  trans89.6173.9-172.700000112.6Y86 N111 R112 R140Y86-G105 CarbonylContact O-C 3.58Å; Y86-G105 WeakPolarHBondContact O-CA 3.38Å; G105-N111 CarbonylContact O-C 3.56Å; G105-R112 WeakPolarHBondContact O-CB 3.23Å; G105-R112 PolarHBondContact O-N 2.93Å; G105-R140 PolarHBondContact N-O 3.12Å
106A95.8Very high95.7Very high2 Ų234.7 Ų34.72%0.01719%0.19CC..EExtended strand (participates in β ladder)trans-112.7155-177.600000112R85 Y86 N111 T141R85-A106 CarbonylContact C-O 3.52Å; R85-A106 VanDerWaalsContact CA-O 3.24Å; R85-A106 WeakPolarHBondContact CA-O 3.41Å; Y86-A106 HydrophobicContact CD1-CB 4.16Å; Y86-A106 WeakPolarHBondContact CD1-O 3.28Å; Y86-A106 HydrophobicContact CE1-CB 3.57Å; Y86-A106 WeakPolarHBondContact CE1-O 3.2Å; Y86-A106 HydrophobicContact CE2-CB 4.07Å; Y86-A106 PolarHBondContact N-O 2.91Å; Y86-A106 PolarHBondContact O-N 2.94Å; A106-N111 WeakPolarHBondContact CB-OD1 3.33Å; A106-T141 HydrophobicContact CB-CG2 3.74Å
107Q92.9Very high95.8Very high61 Ų6136.2 Ų36.229%0.28519%0.192SC..EExtended strand (participates in β ladder)trans-126.6178.3161.362.9171.7-0.400108.6T109 G110 R112Q107-T109 PolarHBondContact NE2-OG1 2.95Å; Q107-T109 PolarHBondContact O-N 2.98Å; Q107-T109 VanDerWaalsContact O-N 3.08Å; Q107-G110 WeakPolarHBondContact CG-O 3.49Å; Q107-G110 PolarHBondContact N-O 2.79Å; Q107-G110 PolarHBondContact O-N 2.87Å; Q107-G110 VanDerWaalsContact O-N 3.09Å; Q107-R112 VanDerWaalsContact CD-NH2 3.31Å
108Q85.6Confident96Very high181 Ų18133.4 Ų33.485%0.84617%0.174SC*.THydrogen-bonded Turntrans-56.3-29.8-178-166.6174.415.400114.1
109T88.7Confident96Very high120 Ų12034.5 Ų34.574%0.73618%0.179SC*.THydrogen-bonded Turntrans-95.80.6-177.658.40000114.4Q107Q107-T109 PolarHBondContact NE2-OG1 2.95Å; Q107-T109 PolarHBondContact O-N 2.98Å; Q107-T109 VanDerWaalsContact O-N 3.08Å
110G93.9Very high95.9Very high31 Ų3135.4 Ų35.432%0.3218%0.183SC..EExtended strand (participates in β ladder)trans136.5-173.6176.900000113.9Q107Q107-G110 WeakPolarHBondContact CG-O 3.49Å; Q107-G110 PolarHBondContact N-O 2.79Å; Q107-G110 PolarHBondContact O-N 2.87Å; Q107-G110 VanDerWaalsContact O-N 3.09Å
111N97.1Very high95.7Very high43 Ų4338.1 Ų38.123%0.2320%0.202CC..EExtended strand (participates in β ladder)trans-80.9154.7-176.3-64.7-6.7000112.5G105 A106 P139 G159 E160G105-N111 CarbonylContact O-C 3.56Å; A106-N111 WeakPolarHBondContact CB-OD1 3.33Å; N111-P139 HydrophobicContact CB-CB 3.67Å; N111-P139 WeakPolarHBondContact O-CB 3.34Å; N111-G159 PolarHBondContact ND2-O 2.8Å; N111-E160 PolarHBondContact ND2-O 2.83Å
112R95.9Very high95.5Very high31 Ų3140.5 Ų40.512%0.11722%0.215CC..  trans-101.3155.1174.2-60.3-174.2-179.9-74-4.8110.3E83 A84 G104 G105 Q107 P139 R140E83-R112 IonicContact OE2-CZ 3.41Å; E83-R112 IonicContact OE2-NH1 2.75Å; E83-R112 PolarHBondContact OE2-NH1 2.8Å; A84-R112 VanDerWaalsContact O-CZ 3.3Å; A84-R112 PolarHBondContact O-NE 3.4Å; A84-R112 PolarHBondContact O-NH2 2.81Å; G104-R112 WeakPolarHBondContact CA-O 3.18Å; G105-R112 WeakPolarHBondContact O-CB 3.23Å; G105-R112 PolarHBondContact O-N 2.93Å; Q107-R112 VanDerWaalsContact CD-NH2 3.31Å; R112-P139 VanDerWaalsContact O-CA 3.28Å; R112-P139 WeakPolarHBondContact O-CA 3.35Å; R112-R140 PolarHBondContact O-N 3.14Å; R112-R140 VanDerWaalsContact O-N 3.11Å
113K95.7Very high95.2Very high105 Ų10549.9 Ų49.946%0.45726%0.256SS..  trans-1285.3166.960.7177.8176.2-179.10112.6F103 P139F103-K113 WeakPolarHBondContact CE2-O 3.21Å; K113-P139 HydrophobicContact CB-CB 4.3Å; K113-P139 HydrophobicContact CB-CG 4.12Å; K113-P139 HydrophobicContact CD-CG 4Å; K113-P139 HydrophobicContact CG-CG 4.07Å
114C96.6Very high95Very high34 Ų3456.6 Ų56.623%0.2329%0.287CS..  trans-75152.7-179.7610000110.7E83 R85 G104E83-C114 PolarHBondContact OE2-SG 2.9Å; R85-C114 PolarHBondContact NH2-SG 2.96Å; G104-C114 PolarHBondContact N-O 3.28Å
115I97.9Very high94.9Very high3 Ų357.6 Ų57.62%0.01529%0.294CS..EExtended strand (participates in β ladder)trans-106132.8167.8-66179.2000107.6W101 V102 F103 V130 A132 F174 W181W101-I115 HydrophobicContact CE3-CG2 3.58Å; W101-I115 HydrophobicContact CZ3-CG2 3.96Å; V102-I115 WeakPolarHBondContact O-CA 3.43Å; F103-I115 HydrophobicContact CB-CG1 4.21Å; F103-I115 HydrophobicContact CD2-CG1 3.75Å; F103-I115 HydrophobicContact CG-CG1 4.4Å; I115-V130 HydrophobicContact CB-CB 4.18Å; I115-V130 HydrophobicContact CG2-CB 3.96Å; I115-V130 HydrophobicContact CG2-CG2 3.96Å; I115-V130 PolarHBondContact O-N 2.73Å; I115-A132 HydrophobicContact CD1-CB 4.47Å; I115-F174 HydrophobicContact CD1-CB 4.34Å; I115-F174 HydrophobicContact CD1-CD1 3.52Å; I115-F174 HydrophobicContact CD1-CD2 3.39Å; I115-F174 HydrophobicContact CD1-CE1 3.48Å; I115-F174 VanDerWaalsContact CD1-CE1 3.48Å; I115-F174 HydrophobicContact CD1-CE2 3.36Å; I115-F174 HydrophobicContact CD1-CG 3.47Å; I115-F174 VanDerWaalsContact CD1-CG 3.47Å; I115-F174 HydrophobicContact CD1-CZ 3.39Å; I115-F174 HydrophobicContact CG2-CE1 4.34Å; I115-F174 HydrophobicContact CG2-CZ 4.43Å; I115-W181 HydrophobicContact CD1-CZ2 3.56Å; I115-W181 HydrophobicContact CG1-CZ2 4.1Å
116Q98.5Very high94.9Very high1 Ų160.6 Ų60.61%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-122.5151.7166.7-63.2-168.1-79.400110G81 W101 V102 W127 K128 N129G81-Q116 PolarHBondContact O-NE2 2.64Å; W101-Q116 WeakPolarHBondContact CA-O 3.27Å; V102-Q116 HydrophobicContact CG2-CB 3.69Å; V102-Q116 PolarHBondContact N-O 2.99Å; V102-Q116 PolarHBondContact O-N 2.94Å; Q116-W127 HydrophobicContact CB-CE3 3.95Å; Q116-W127 HydrophobicContact CB-CZ3 4.49Å; Q116-K128 CarbonylContact C-O 3.59Å; Q116-K128 VanDerWaalsContact CA-O 3.24Å; Q116-K128 WeakPolarHBondContact CA-O 3.38Å; Q116-N129 WeakPolarHBondContact CG-OD1 3.48Å; Q116-N129 PolarHBondContact NE2-OD1 2.89Å
117K98.1Very high95Very high70 Ų7061 Ų6130%0.30431%0.309SS..EExtended strand (participates in β ladder)trans-133.8152.8175.272.6-177.3-171.7172.10112L100 W101 W127 K128 V130L100-K117 CarbonylContact O-C 3.48Å; L100-K117 VanDerWaalsContact O-CA 3.23Å; L100-K117 WeakPolarHBondContact O-CA 3.44Å; W101-K117 HydrophobicContact CD2-CB 3.82Å; W101-K117 HydrophobicContact CD2-CD 4.48Å; W101-K117 HydrophobicContact CE3-CB 3.74Å; W101-K117 HydrophobicContact CE3-CD 4.21Å; W101-K117 HydrophobicContact CG-CB 4.37Å; W101-K117 HydrophobicContact CH2-CB 4.5Å; W101-K117 HydrophobicContact CH2-CD 3.48Å; W101-K117 VanDerWaalsContact CH2-CD 3.48Å; W101-K117 HydrophobicContact CZ2-CD 3.73Å; W101-K117 HydrophobicContact CZ3-CB 4.12Å; W101-K117 HydrophobicContact CZ3-CD 3.75Å; W101-K117 HydrophobicContact CZ3-CG 4.46Å; K117-W127 WeakPolarHBondContact O-CA 3.36Å; K117-K128 PolarHBondContact N-O 2.56Å; K117-K128 PolarHBondContact O-N 2.75Å; K117-V130 HydrophobicContact CB-CG2 4.28Å; K117-V130 HydrophobicContact CD-CG2 3.85Å; K117-V130 HydrophobicContact CG-CG2 3.86Å
118L98.1Very high95.3Very high0 Ų063 Ų630%032%0.317CS..EExtended strand (participates in β ladder)trans-129.1121.2175.4178.466.1000108.6W79 C99 L100 F120 P125 W127W79-L118 HydrophobicContact CB-CD1 4.11Å; W79-L118 HydrophobicContact CB-CD2 4.13Å; W79-L118 HydrophobicContact CD2-CD2 3.58Å; W79-L118 HydrophobicContact CE3-CD2 3.41Å; W79-L118 VanDerWaalsContact CE3-CD2 3.41Å; W79-L118 HydrophobicContact CG-CD1 4.12Å; W79-L118 HydrophobicContact CG-CD2 3.91Å; W79-L118 HydrophobicContact CZ3-CD2 4.12Å; C99-L118 WeakPolarHBondContact CA-O 3.36Å; L100-L118 PolarHBondContact N-O 3.13Å; L100-L118 PolarHBondContact O-N 2.99Å; L118-F120 HydrophobicContact CD2-CD1 4.26Å; L118-F120 HydrophobicContact CD2-CE1 3.44Å; L118-F120 VanDerWaalsContact CD2-CE1 3.44Å; L118-F120 HydrophobicContact CD2-CZ 3.75Å; L118-F120 HydrophobicContact CG-CD1 4.44Å; L118-F120 HydrophobicContact CG-CE1 4Å; L118-F120 HydrophobicContact CG-CZ 4.24Å; L118-P125 HydrophobicContact CD1-CB 3.81Å; L118-W127 HydrophobicContact CB-CD2 3.8Å; L118-W127 HydrophobicContact CB-CE3 3.77Å; L118-W127 HydrophobicContact CB-CG 4.42Å; L118-W127 HydrophobicContact CB-CH2 4.06Å; L118-W127 HydrophobicContact CB-CZ2 4.11Å; L118-W127 HydrophobicContact CB-CZ3 3.89Å; L118-W127 HydrophobicContact CD2-CD2 4.48Å; L118-W127 HydrophobicContact CD2-CZ2 3.99Å
119Q96.8Very high95.8Very high35 Ų3558.7 Ų58.716%0.16430%0.299CS..EExtended strand (participates in β ladder)trans-99.9112.5177.8-175.367.919.400109.5C99 S121 D122 P125C99-Q119 PolarHBondContact SG-OE1 3.3Å; Q119-S121 VanDerWaalsContact C-N 3.31Å; Q119-S121 WeakPolarHBondContact CG-OG 3.38Å; Q119-S121 PolarHBondContact NE2-OG 3.21Å; Q119-S121 PolarHBondContact O-N 2.54Å; Q119-D122 PolarHBondContact O-N 2.95Å; Q119-P125 WeakPolarHBondContact O-CB 3.48Å
120F94.9Very high96.3Very high20 Ų2054 Ų549%0.08827%0.271CS..THydrogen-bonded Turntrans-73-23.5-176.9-62.2-69.8000114V39 V50 W79 Q98 L100 L118 D122V39-F120 HydrophobicContact CB-CE2 4.3Å; V39-F120 HydrophobicContact CG1-CD2 3.69Å; V39-F120 HydrophobicContact CG1-CE2 3.82Å; V39-F120 HydrophobicContact CG2-CD2 4.47Å; V39-F120 HydrophobicContact CG2-CE2 3.74Å; V39-F120 HydrophobicContact CG2-CZ 4.38Å; V50-F120 HydrophobicContact CG1-CZ 4.35Å; V50-F120 HydrophobicContact CG2-CE1 4.3Å; V50-F120 HydrophobicContact CG2-CE2 4.43Å; V50-F120 HydrophobicContact CG2-CZ 3.76Å; W79-F120 HydrophobicContact CD2-CE1 4.34Å; W79-F120 HydrophobicContact CE3-CE1 4.07Å; W79-F120 AromaticContact CH2-CD1 3.99Å; W79-F120 HydrophobicContact CH2-CD1 3.99Å; W79-F120 AromaticContact CH2-CE1 3.41Å; W79-F120 HydrophobicContact CH2-CE1 3.41Å; W79-F120 VanDerWaalsContact CH2-CE1 3.41Å; W79-F120 HydrophobicContact CH2-CZ 4.44Å; W79-F120 AromaticContact CZ2-CD1 3.79Å; W79-F120 HydrophobicContact CZ2-CD1 3.79Å; W79-F120 AromaticContact CZ2-CE1 3.66Å; W79-F120 HydrophobicContact CZ2-CE1 3.66Å; W79-F120 AromaticContact CZ3-CE1 3.64Å; W79-F120 HydrophobicContact CZ3-CE1 3.64Å; W79-F120 HydrophobicContact CZ3-CZ 4.42Å; Q98-F120 WeakPolarHBondContact O-CD2 3.44Å; Q98-F120 PolarHBondContact O-N 2.88Å; L100-F120 HydrophobicContact CB-CE2 3.77Å; L100-F120 HydrophobicContact CB-CZ 4.02Å; L100-F120 HydrophobicContact CD2-CZ 4.25Å; L118-F120 HydrophobicContact CD2-CD1 4.26Å; L118-F120 HydrophobicContact CD2-CE1 3.44Å; L118-F120 VanDerWaalsContact CD2-CE1 3.44Å; L118-F120 HydrophobicContact CD2-CZ 3.75Å; L118-F120 HydrophobicContact CG-CD1 4.44Å; L118-F120 HydrophobicContact CG-CE1 4Å; L118-F120 HydrophobicContact CG-CZ 4.24Å; F120-D122 VanDerWaalsContact C-N 3.26Å; F120-D122 PolarHBondContact O-N 3.43Å
121S92.6Very high96.4Very high57 Ų5760.9 Ų60.940%0.39929%0.294SS..THydrogen-bonded Turntrans-78.1-7.7177.469.60000113.4Q119Q119-S121 VanDerWaalsContact C-N 3.31Å; Q119-S121 WeakPolarHBondContact CG-OG 3.38Å; Q119-S121 PolarHBondContact NE2-OG 3.21Å; Q119-S121 PolarHBondContact O-N 2.54Å
122D94.3Very high96.3Very high56 Ų5660 Ų6030%0.29929%0.293SS..SBendtrans-65.1144.8173.4-79.3-2.3000109.2Q119 F120 E124 P125 K128Q119-D122 PolarHBondContact O-N 2.95Å; F120-D122 VanDerWaalsContact C-N 3.26Å; F120-D122 PolarHBondContact O-N 3.43Å; D122-E124 PolarHBondContact O-N 2.85Å; D122-P125 VanDerWaalsContact O-CD 3.26Å; D122-P125 WeakPolarHBondContact O-CD 3.27Å; D122-P125 WeakPolarHBondContact O-CG 3.48Å; D122-K128 IonicContact OD2-NZ 3.53Å; D122-K128 PolarHBondContact OD2-NZ 2.65Å
123K91.9Very high96.2Very high198 Ų19865.3 Ų65.386%0.86132%0.317SS*.SBendtrans-54.8-37.5175.9-176.9-174.9173.6-169.50112.2
124E93.9Very high96.3Very high140 Ų14062.5 Ų62.565%0.65432%0.318SS*.SBendtrans-130.888.8175.2-70.3173.9-158.400107.7D122 Q126D122-E124 PolarHBondContact O-N 2.85Å; E124-Q126 PolarHBondContact O-N 2.86Å
125P95.8Very high96.2Very high22 Ų2266.7 Ų66.714%0.14333%0.334CS..  trans-62.4127.2-179-23.735.2000110.5W79 L118 Q119 D122W79-P125 VanDerWaalsContact CD1-O 3.24Å; L118-P125 HydrophobicContact CD1-CB 3.81Å; Q119-P125 WeakPolarHBondContact O-CB 3.48Å; D122-P125 VanDerWaalsContact O-CD 3.26Å; D122-P125 WeakPolarHBondContact O-CD 3.27Å; D122-P125 WeakPolarHBondContact O-CG 3.48Å
126Q97.4Very high96.1Very high63 Ų6369.9 Ų69.929%0.29435%0.351SS..  trans-141.4146.8177.9-62.8-66.6-54.400109.2D78 K80 E124D78-Q126 PolarHBondContact O-NE2 3.12Å; K80-Q126 VanDerWaalsContact CA-OE1 3.27Å; K80-Q126 PolarHBondContact O-OE1 3.11Å; E124-Q126 PolarHBondContact O-N 2.86Å
127W98.4Very high96Very high10 Ų1070 Ų704%0.03835%0.351CS..EExtended strand (participates in β ladder)trans-69.3132.8174.3-72.797.5000110.1V52 S64 K80 G81 L82 L100 V102 Q116 K117 L118V52-W127 HydrophobicContact CB-CZ2 4.46Å; V52-W127 HydrophobicContact CG1-CH2 3.98Å; V52-W127 HydrophobicContact CG1-CZ2 3.68Å; V52-W127 HydrophobicContact CG2-CH2 4.11Å; V52-W127 HydrophobicContact CG2-CZ2 3.84Å; S64-W127 PolarHBondContact OG-NE1 3.21Å; S64-W127 VanDerWaalsContact OG-NE1 3.12Å; K80-W127 WeakPolarHBondContact O-CB 3.45Å; K80-W127 PolarHBondContact O-N 2.93Å; G81-W127 VanDerWaalsContact C-CB 3.49Å; L82-W127 HydrophobicContact CB-CB 4.23Å; L82-W127 HydrophobicContact CB-CD2 4.12Å; L82-W127 HydrophobicContact CB-CG 3.73Å; L82-W127 HydrophobicContact CD1-CD2 3.87Å; L82-W127 HydrophobicContact CD1-CE3 4.03Å; L82-W127 HydrophobicContact CD1-CG 4.31Å; L82-W127 HydrophobicContact CD1-CZ2 4.36Å; L82-W127 HydrophobicContact CD1-CZ3 4.37Å; L82-W127 HydrophobicContact CD2-CZ2 4.5Å; L82-W127 HydrophobicContact CG-CD2 4.49Å; L82-W127 VanDerWaalsContact N-CB 3.34Å; L100-W127 HydrophobicContact CD2-CH2 3.98Å; L100-W127 HydrophobicContact CD2-CZ2 4.4Å; L100-W127 HydrophobicContact CG-CH2 4.13Å; V102-W127 HydrophobicContact CB-CZ3 4.38Å; V102-W127 HydrophobicContact CG1-CH2 3.65Å; V102-W127 HydrophobicContact CG1-CZ3 3.82Å; V102-W127 HydrophobicContact CG2-CE3 4.33Å; V102-W127 HydrophobicContact CG2-CH2 4.36Å; V102-W127 HydrophobicContact CG2-CZ3 3.76Å; Q116-W127 HydrophobicContact CB-CE3 3.95Å; Q116-W127 HydrophobicContact CB-CZ3 4.49Å; K117-W127 WeakPolarHBondContact O-CA 3.36Å; L118-W127 HydrophobicContact CB-CD2 3.8Å; L118-W127 HydrophobicContact CB-CE3 3.77Å; L118-W127 HydrophobicContact CB-CG 4.42Å; L118-W127 HydrophobicContact CB-CH2 4.06Å; L118-W127 HydrophobicContact CB-CZ2 4.11Å; L118-W127 HydrophobicContact CB-CZ3 3.89Å; L118-W127 HydrophobicContact CD2-CD2 4.48Å; L118-W127 HydrophobicContact CD2-CZ2 3.99Å
128K98Very high95.9Very high103 Ų10368.5 Ų68.545%0.44835%0.35SS..EExtended strand (participates in β ladder)trans-125.4131.6-178.7-67.7167.4-174.6164.60109.5Q116 K117 D122Q116-K128 CarbonylContact C-O 3.59Å; Q116-K128 VanDerWaalsContact CA-O 3.24Å; Q116-K128 WeakPolarHBondContact CA-O 3.38Å; K117-K128 PolarHBondContact N-O 2.56Å; K117-K128 PolarHBondContact O-N 2.75Å; D122-K128 IonicContact OD2-NZ 3.53Å; D122-K128 PolarHBondContact OD2-NZ 2.65Å
129N97.9Very high95.8Very high91 Ų9170.9 Ų70.949%0.48737%0.365SS..EExtended strand (participates in β ladder)trans-63.7136.3167-84.1-26.4000109.7E83 Q116E83-N129 PolarHBondContact OE1-ND2 3.35Å; E83-N129 PolarHBondContact OE1-OD1 2.85Å; Q116-N129 WeakPolarHBondContact CG-OD1 3.48Å; Q116-N129 PolarHBondContact NE2-OD1 2.89Å
130V97.6Very high95.9Very high22 Ų2269.2 Ų69.213%0.13336%0.357CS..EExtended strand (participates in β ladder)trans-102.2121.8177.2-179.90000108.3W101 I115 K117 A132 F174W101-V130 HydrophobicContact CE3-CG2 4.34Å; W101-V130 HydrophobicContact CZ3-CB 4.46Å; W101-V130 HydrophobicContact CZ3-CG1 4.23Å; W101-V130 HydrophobicContact CZ3-CG2 3.73Å; I115-V130 HydrophobicContact CB-CB 4.18Å; I115-V130 HydrophobicContact CG2-CB 3.96Å; I115-V130 HydrophobicContact CG2-CG2 3.96Å; I115-V130 PolarHBondContact O-N 2.73Å; K117-V130 HydrophobicContact CB-CG2 4.28Å; K117-V130 HydrophobicContact CD-CG2 3.85Å; K117-V130 HydrophobicContact CG-CG2 3.86Å; V130-A132 PolarHBondContact O-N 2.87Å; V130-F174 HydrophobicContact CG1-CZ 4.24Å
131E96.3Very high96Very high175 Ų17568.5 Ų68.582%0.81836%0.355SS*.  trans-72.778.5173.1-67.6-174.8-179.900110.1
132A94.9Very high95.9Very high23 Ų2366 Ų6619%0.1934%0.337CS..  trans-73.4133.5179.900000111.1I115 V130 F174 S179I115-A132 HydrophobicContact CD1-CB 4.47Å; V130-A132 PolarHBondContact O-N 2.87Å; A132-F174 HydrophobicContact CB-CE2 3.85Å; A132-S179 WeakPolarHBondContact CA-O 3.2Å
133K94.9Very high95.5Very high143 Ų14363.9 Ų63.962%0.62233%0.325SS*.EExtended strand (participates in β ladder)trans-103.8172.7178.2-61.5175.4-175.4173.20111.2S179 T180 W181K133-S179 PolarHBondContact N-O 2.93Å; K133-S179 VanDerWaalsContact N-O 3.16Å; K133-T180 HydrophobicContact CB-CG2 4.38Å; K133-W181 PolarHBondContact O-N 3.19Å
134G96.4Very high95.2Very high47 Ų4755.2 Ų55.249%0.48529%0.289SS..EExtended strand (participates in β ladder)trans88-146.9170.400000114.5L136 W181G134-L136 WeakPolarHBondContact O-CD1 3.14Å; G134-L136 PolarHBondContact O-N 3.21Å; G134-W181 WeakPolarHBondContact CA-O 3.28Å
135E95.8Very high94.8Very high121 Ų12149 Ų4957%0.56526%0.261SS*.SBendtrans-9080.8-172.4-63.7-60.7136.300111H172 W181 Q183E135-H172 PolarHBondContact O-ND1 2.97Å; E135-W181 PolarHBondContact N-O 2.54Å; E135-W181 VanDerWaalsContact N-O 3.15Å; E135-W181 WeakPolarHBondContact O-CB 3.26Å; E135-Q183 HydrophobicContact CB-CB 4.07Å; E135-Q183 HydrophobicContact CG-CB 4.44Å
136L94.9Very high94.7Very high71 Ų7149.9 Ų49.937%0.37227%0.267SS..PPolyproline II helixtrans-68.1140-176.1-7774.3000111.9G134 W181G134-L136 WeakPolarHBondContact O-CD1 3.14Å; G134-L136 PolarHBondContact O-N 3.21Å; L136-W181 HydrophobicContact CG-CG 4.35Å
137P96.3Very high94.6Very high2 Ų246.9 Ų46.91%0.01325%0.253CS..PPolyproline II helixtrans-64.3155.3169.526.3-34.1000112.3F103 R140 V155 H172 W181F103-P137 HydrophobicContact CE1-CG 4.36Å; F103-P137 HydrophobicContact CE2-CG 3.73Å; F103-P137 HydrophobicContact CZ-CB 4.19Å; F103-P137 HydrophobicContact CZ-CG 3.35Å; P137-R140 VanDerWaalsContact CB-NH2 3.33Å; P137-V155 HydrophobicContact CB-CG1 4.29Å; P137-V155 HydrophobicContact CG-CG1 4.4Å; P137-H172 HydrophobicContact CB-CB 4.26Å; P137-H172 HydrophobicContact CG-CB 4.4Å; P137-W181 HydrophobicContact CG-CD2 4.39Å; P137-W181 HydrophobicContact CG-CE3 4.29Å; P137-W181 HydrophobicContact CG-CH2 3.81Å; P137-W181 HydrophobicContact CG-CZ2 3.88Å; P137-W181 HydrophobicContact CG-CZ3 4.01Å
138S96.1Very high94.6Very high39 Ų3947.9 Ų47.927%0.27326%0.262SS..PPolyproline II helixtrans-60.2153.9164.365.90000111.9R140S138-R140 VanDerWaalsContact N-NH2 3.13Å; S138-R140 PolarHBondContact O-N 3.35Å; S138-R140 PolarHBondContact O-NE 2.85Å; S138-R140 PolarHBondContact O-NH2 3.38Å; S138-R140 PolarHBondContact OG-NH2 2.94Å
139P97.3Very high94.6Very high50 Ų5044.9 Ų44.933%0.32525%0.25SC..SBendtrans-57.5135.3175.3-21.633000113N111 R112 K113N111-P139 HydrophobicContact CB-CB 3.67Å; N111-P139 WeakPolarHBondContact O-CB 3.34Å; R112-P139 VanDerWaalsContact O-CA 3.28Å; R112-P139 WeakPolarHBondContact O-CA 3.35Å; K113-P139 HydrophobicContact CB-CB 4.3Å; K113-P139 HydrophobicContact CB-CG 4.12Å; K113-P139 HydrophobicContact CD-CG 4Å; K113-P139 HydrophobicContact CG-CG 4.07Å
140R97.8Very high94.5Very high0 Ų041.6 Ų41.60%024%0.238CC..  trans-159.3162.3-170.963.5-16962.6-169.38.7115.1F103 G105 R112 P137 S138 Y142 S157 G159 V166 D168F103-R140 HydrophobicContact CE1-CG 4.12Å; F103-R140 HydrophobicContact CZ-CG 4.23Å; G105-R140 PolarHBondContact N-O 3.12Å; R112-R140 PolarHBondContact O-N 3.14Å; R112-R140 VanDerWaalsContact O-N 3.11Å; P137-R140 VanDerWaalsContact CB-NH2 3.33Å; S138-R140 VanDerWaalsContact N-NH2 3.13Å; S138-R140 PolarHBondContact O-N 3.35Å; S138-R140 PolarHBondContact O-NE 2.85Å; S138-R140 PolarHBondContact O-NH2 3.38Å; S138-R140 PolarHBondContact OG-NH2 2.94Å; R140-Y142 VanDerWaalsContact CD-CE2 3.4Å; R140-Y142 HydrophobicContact CG-CD2 4.19Å; R140-Y142 HydrophobicContact CG-CE2 3.71Å; R140-S157 WeakPolarHBondContact CD-O 3.17Å; R140-S157 PolarHBondContact NH1-O 2.88Å; R140-G159 VanDerWaalsContact CA-O 3.25Å; R140-G159 WeakPolarHBondContact CA-O 3.23Å; R140-V166 HydrophobicContact CB-CG1 3.79Å; R140-D168 IonicContact CZ-OD2 3.45Å; R140-D168 IonicContact NH2-OD2 3.26Å; R140-D168 PolarHBondContact NH2-OD2 2.88Å
141T97.3Very high94.5Very high6 Ų642.5 Ų42.54%0.03724%0.242CC..BIsolated β-bridgetrans-108.3156.3167.971.10000112.5E87 A106 G158 G159E87-T141 HydrophobicContact CB-CG2 4Å; E87-T141 CarbonylContact O-C 3.47Å; E87-T141 WeakPolarHBondContact O-CA 3.06Å; E87-T141 WeakPolarHBondContact O-CB 3.27Å; E87-T141 VanDerWaalsContact OE2-CB 3.28Å; E87-T141 WeakPolarHBondContact OE2-CB 3.31Å; E87-T141 WeakPolarHBondContact OE2-CG2 3.39Å; E87-T141 PolarHBondContact OE2-OG1 3.42Å; E87-T141 VanDerWaalsContact OE2-OG1 3.06Å; A106-T141 HydrophobicContact CB-CG2 3.74Å; T141-G158 CarbonylContact O-C 3.43Å; T141-G158 WeakPolarHBondContact O-CA 3.4Å; T141-G159 PolarHBondContact N-O 3.43Å; T141-G159 VanDerWaalsContact N-O 3.12Å; T141-G159 PolarHBondContact O-N 2.92Å; T141-G159 WeakPolarHBondContact OG1-CA 3.47Å
142Y91.4Very high94.6Very high3 Ų337.5 Ų37.51%0.01222%0.218CC..  trans-129.2-1.5-176-94-80.1000115.1E87 C89 F103 R140 T144 S145 V155 F156 S157 H197 I199E87-Y142 PolarHBondContact O-N 2.97Å; C89-Y142 HydrophobicContact CB-CG 4.35Å; F103-Y142 HydrophobicContact CD1-CE2 4.41Å; F103-Y142 HydrophobicContact CE1-CD2 4.34Å; F103-Y142 AromaticContact CE1-CE2 3.91Å; F103-Y142 HydrophobicContact CE1-CE2 3.91Å; R140-Y142 VanDerWaalsContact CD-CE2 3.4Å; R140-Y142 HydrophobicContact CG-CD2 4.19Å; R140-Y142 HydrophobicContact CG-CE2 3.71Å; Y142-T144 PolarHBondContact O-N 2.88Å; Y142-S145 PolarHBondContact O-N 3.15Å; Y142-S145 PolarHBondContact O-OG 2.96Å; Y142-V155 HydrophobicContact CE2-CG1 3.81Å; Y142-V155 WeakPolarHBondContact OH-CG1 3.32Å; Y142-F156 WeakPolarHBondContact CE1-O 3.32Å; Y142-F156 PolarHBondContact OH-N 2.83Å; Y142-F156 PolarHBondContact OH-O 3.2Å; Y142-S157 PolarHBondContact OH-O 3.1Å; Y142-H197 AromaticContact CE1-NE2 3.96Å; Y142-I199 HydrophobicContact CD1-CG2 4.24Å; Y142-I199 HydrophobicContact CE1-CG2 4.29Å
143H85Confident94.8Very high13 Ų1336.5 Ų36.56%0.0621%0.209CC..THydrogen-bonded Turntrans46.148.8-175.6-63.4-98000112.1E87 S145 H195 G196 D296E87-H143 PolarHBondContact O-N 2.75Å; E87-H143 IonicContact OE1-CE1 2.64Å; E87-H143 PolarHBondContact OE1-CE1 2.99Å; E87-H143 VanDerWaalsContact OE1-CE1 3.26Å; E87-H143 IonicContact OE1-ND1 3.4Å; E87-H143 IonicContact OE2-CD2 2.99Å; E87-H143 IonicContact OE2-CE1 3.74Å; E87-H143 PolarHBondContact OE2-CE1 3.44Å; E87-H143 IonicContact OE2-ND1 2.54Å; E87-H143 IonicContact OE2-NE2 3.73Å; H143-S145 VanDerWaalsContact C-N 3.28Å; H143-S145 PolarHBondContact O-N 3.12Å; H143-H195 AromaticContact NE2-ND1 3.23Å; H143-H195 PolarHBondContact NE2-ND1 2.97Å; H143-G196 WeakPolarHBondContact CD2-CA 3.21Å; H143-G196 PolarHBondContact CD2-N 3.31Å; H143-D296 IonicContact CE1-OD1 3.07Å; H143-D296 IonicContact CG-OD1 3.95Å; H143-D296 IonicContact ND1-OD1 3.74Å; H143-D296 PolarHBondContact ND1-OD1 3.28Å
144T84.8Confident94.9Very high16 Ų1630.2 Ų30.210%0.09818%0.181CC..BIsolated β-bridgetrans77.3-15.617486.10000117.8H34 T35 H88 Y142 S248H34-T144 WeakPolarHBondContact O-CG2 3.28Å; T35-T144 HydrophobicContact CG2-CG2 4.29Å; H88-T144 VanDerWaalsContact O-CA 3.28Å; H88-T144 WeakPolarHBondContact O-CA 3.36Å; H88-T144 PolarHBondContact O-N 3.25Å; Y142-T144 PolarHBondContact O-N 2.88Å; T144-S248 PolarHBondContact OG1-OG 2.81Å
145S86.3Confident95Very high10 Ų1028 Ų287%0.0716%0.158CC..  trans-74.8145.4-176.167.20000113.5C89 Y142 H143 H197 I199C89-S145 WeakPolarHBondContact CB-O 3.28Å; Y142-S145 PolarHBondContact O-N 3.15Å; Y142-S145 PolarHBondContact O-OG 2.96Å; H143-S145 VanDerWaalsContact C-N 3.28Å; H143-S145 PolarHBondContact O-N 3.12Å; S145-H197 PolarHBondContact OG-O 3.42Å; S145-H197 VanDerWaalsContact OG-O 3.09Å; S145-I199 PolarHBondContact OG-N 2.83Å
146S93.3Very high95.1Very high39 Ų3922.3 Ų22.327%0.27313%0.132SC..  trans-146.2149.3177.267.50000111.3S90 I199S90-S146 VanDerWaalsContact O-CB 3.29Å; S90-S146 WeakPolarHBondContact O-CB 3.29Å; S90-S146 PolarHBondContact O-OG 2.89Å; S146-I199 CarbonylContact C-O 3.56Å
147A96.9Very high95.2Very high0 Ų019 Ų190%012%0.115CC..EExtended strand (participates in β ladder)trans-131.4103.8173.700000110.2Y154 I199 A201 I206A147-Y154 PolarHBondContact O-N 3.48Å; A147-I199 HydrophobicContact CB-CB 4.49Å; A147-I199 HydrophobicContact CB-CD1 4.33Å; A147-I199 HydrophobicContact CB-CG1 3.79Å; A147-I199 HydrophobicContact CB-CG2 4.29Å; A147-A201 HydrophobicContact CB-CB 4.27Å; A147-I206 HydrophobicContact CB-CD1 3.69Å; A147-I206 HydrophobicContact CB-CG2 3.86Å
148C97Very high95.2Very high32 Ų3219 Ų1922%0.21611%0.114CC..EExtended strand (participates in β ladder)trans-109127.2178.4-170.10000109.2F91 G150 K152 A201F91-C148 HydrophobicContact CB-CB 4.35Å; F91-C148 HydrophobicContact CD2-CB 4.15Å; C148-G150 PolarHBondContact SG-O 2.87Å; C148-K152 WeakPolarHBondContact CA-O 3.02Å; C148-A201 VanDerWaalsContact O-CB 3.29Å; C148-A201 WeakPolarHBondContact O-CB 3.32Å
149I97.6Very high95.3Very high39 Ų3917.2 Ų17.220%0.210%0.103CC..EExtended strand (participates in β ladder)trans-118.8114.1168.4-61.8175.1000107.1D151 K152 Y154 A201 I206I149-D151 PolarHBondContact O-N 2.86Å; I149-D151 VanDerWaalsContact O-N 3.11Å; I149-K152 PolarHBondContact N-O 2.96Å; I149-K152 PolarHBondContact O-N 3.37Å; I149-Y154 HydrophobicContact CB-CE2 4.06Å; I149-Y154 HydrophobicContact CD1-CE2 4.24Å; I149-Y154 HydrophobicContact CG1-CE2 4.29Å; I149-A201 HydrophobicContact CD1-CB 4.45Å; I149-A201 HydrophobicContact CG1-CB 3.73Å; I149-I206 HydrophobicContact CD1-CD1 3.45Å; I149-I206 VanDerWaalsContact CD1-CD1 3.45Å; I149-I206 HydrophobicContact CD1-CG1 4.05Å; I149-I206 HydrophobicContact CG1-CD1 3.8Å
150G97.1Very high95.2Very high23 Ų2319.5 Ų19.524%0.23711%0.109CC..THydrogen-bonded Turntrans59.8-111.5-172.200000111.4E94 C148E94-G150 PolarHBondContact N-O 3.43Å; E94-G150 WeakPolarHBondContact OE2-CA 3.42Å; C148-G150 PolarHBondContact SG-O 2.87Å
151D97.6Very high95Very high40 Ų4022.8 Ų22.821%0.21414%0.136CC..THydrogen-bonded Turntrans-10815.6-179.3-64.4-49.5000113.3S93 S95 I149 T176 V177S93-D151 WeakPolarHBondContact CB-OD1 3.29Å; S95-D151 WeakPolarHBondContact CB-OD1 3.47Å; S95-D151 WeakPolarHBondContact CB-OD2 3.28Å; S95-D151 PolarHBondContact N-OD1 3.04Å; S95-D151 PolarHBondContact OG-OD1 2.93Å; S95-D151 PolarHBondContact OG-OD2 2.88Å; I149-D151 PolarHBondContact O-N 2.86Å; I149-D151 VanDerWaalsContact O-N 3.11Å; D151-T176 WeakPolarHBondContact CB-OG1 3.45Å; D151-T176 PolarHBondContact O-N 3.38Å; D151-T176 PolarHBondContact O-OG1 3.09Å; D151-T176 VanDerWaalsContact O-OG1 3.11Å; D151-V177 HydrophobicContact CB-CG2 3.91Å
152K98.3Very high94.6Very high71 Ų7126 Ų2631%0.30917%0.171SC..EExtended strand (participates in β ladder)trans-118.7116.9-174.1-63.8-173.5-166.8-65.30111.7C148 I149 Y154 V173 F174 D175C148-K152 WeakPolarHBondContact CA-O 3.02Å; I149-K152 PolarHBondContact N-O 2.96Å; I149-K152 PolarHBondContact O-N 3.37Å; K152-Y154 HydrophobicContact CB-CE2 3.85Å; K152-Y154 WeakPolarHBondContact O-CD2 3.16Å; K152-V173 HydrophobicContact CB-CG1 3.8Å; K152-V173 HydrophobicContact CD-CG1 4.02Å; K152-V173 HydrophobicContact CG-CG1 4.21Å; K152-F174 CarbonylContact C-O 3.58Å; K152-F174 VanDerWaalsContact CA-O 3.27Å; K152-F174 WeakPolarHBondContact CA-O 3.38Å; K152-D175 HydrophobicContact CG-CB 4.46Å; K152-D175 IonicContact NZ-OD2 3.88Å; K152-D175 PolarHBondContact NZ-OD2 3.45Å
153L98.4Very high94.5Very high1 Ų128 Ų281%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-83.9128.9169.217574000109.7F91 F103 V155 V173 F174 W181F91-L153 HydrophobicContact CD1-CD1 3.86Å; F91-L153 HydrophobicContact CD1-CD2 4.26Å; F91-L153 HydrophobicContact CD1-CG 4.47Å; F91-L153 HydrophobicContact CE1-CB 4.16Å; F91-L153 HydrophobicContact CE1-CD1 4.01Å; F91-L153 HydrophobicContact CE1-CD2 3.61Å; F91-L153 HydrophobicContact CE1-CG 4.12Å; F91-L153 HydrophobicContact CE2-CB 4Å; F91-L153 HydrophobicContact CG-CD1 4.17Å; F91-L153 HydrophobicContact CZ-CB 3.78Å; F91-L153 HydrophobicContact CZ-CD1 4.42Å; F91-L153 HydrophobicContact CZ-CD2 3.98Å; F91-L153 HydrophobicContact CZ-CG 4.26Å; F103-L153 HydrophobicContact CB-CD2 4.07Å; F103-L153 HydrophobicContact CD1-CD2 4.28Å; F103-L153 HydrophobicContact CG-CD2 4.31Å; L153-V155 HydrophobicContact CD2-CG2 3.69Å; L153-V155 HydrophobicContact CG-CG2 3.86Å; L153-V173 CarbonylContact O-C 3.39Å; L153-V173 VanDerWaalsContact O-CA 3.28Å; L153-V173 WeakPolarHBondContact O-CA 3.41Å; L153-F174 HydrophobicContact CB-CB 4.29Å; L153-F174 PolarHBondContact N-O 2.87Å; L153-F174 PolarHBondContact O-N 2.81Å; L153-W181 HydrophobicContact CD2-CH2 4.32Å
154Y98.4Very high95Very high11 Ų1129.5 Ų29.54%0.04320%0.202CC..EExtended strand (participates in β ladder)trans-101.6127.3175.1-69.1-105000110.2A147 I149 K152 L171 V173 I206 L224 M229A147-Y154 PolarHBondContact O-N 3.48Å; I149-Y154 HydrophobicContact CB-CE2 4.06Å; I149-Y154 HydrophobicContact CD1-CE2 4.24Å; I149-Y154 HydrophobicContact CG1-CE2 4.29Å; K152-Y154 HydrophobicContact CB-CE2 3.85Å; K152-Y154 WeakPolarHBondContact O-CD2 3.16Å; Y154-L171 HydrophobicContact CD1-CD1 4.26Å; Y154-L171 HydrophobicContact CD1-CD2 4.29Å; Y154-V173 HydrophobicContact CD1-CG2 3.72Å; Y154-V173 HydrophobicContact CE1-CG1 4.43Å; Y154-V173 HydrophobicContact CE1-CG2 3.72Å; Y154-V173 HydrophobicContact CE2-CG1 4.46Å; Y154-V173 HydrophobicContact CG-CG2 4.4Å; Y154-I206 HydrophobicContact CD1-CD1 4.34Å; Y154-I206 HydrophobicContact CD1-CG1 3.97Å; Y154-I206 HydrophobicContact CD2-CD1 3.66Å; Y154-I206 HydrophobicContact CD2-CG1 4.2Å; Y154-I206 HydrophobicContact CE1-CG1 4.49Å; Y154-I206 HydrophobicContact CE2-CD1 4.28Å; Y154-I206 HydrophobicContact CG-CD1 3.72Å; Y154-I206 HydrophobicContact CG-CG1 3.82Å; Y154-L224 HydrophobicContact CD1-CD2 4.24Å; Y154-M229 HydrophobicContact CE1-CE 4.15Å; Y154-M229 HydrophobicContact CE1-SD 4.45Å
155V98.1Very high95.6Very high1 Ų129.9 Ų29.91%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-126.5112.7-174.1169.40000108.6F103 P137 Y142 L153 H172 W181F103-V155 HydrophobicContact CD1-CG2 3.97Å; F103-V155 HydrophobicContact CE1-CB 4.47Å; F103-V155 HydrophobicContact CE1-CG1 3.72Å; F103-V155 HydrophobicContact CE1-CG2 3.84Å; F103-V155 HydrophobicContact CZ-CG1 4.23Å; P137-V155 HydrophobicContact CB-CG1 4.29Å; P137-V155 HydrophobicContact CG-CG1 4.4Å; Y142-V155 HydrophobicContact CE2-CG1 3.81Å; Y142-V155 WeakPolarHBondContact OH-CG1 3.32Å; L153-V155 HydrophobicContact CD2-CG2 3.69Å; L153-V155 HydrophobicContact CG-CG2 3.86Å; V155-H172 HydrophobicContact CB-CB 4.14Å; V155-H172 HydrophobicContact CG1-CB 4.36Å; V155-H172 PolarHBondContact N-O 2.84Å; V155-H172 PolarHBondContact O-N 2.9Å; V155-W181 HydrophobicContact CB-CH2 4.31Å; V155-W181 HydrophobicContact CB-CZ3 4.05Å; V155-W181 HydrophobicContact CG2-CH2 3.72Å; V155-W181 HydrophobicContact CG2-CZ3 3.83Å
156F97.8Very high96.1Very high2 Ų229.6 Ų29.61%0.00920%0.203CC..  trans-132.2137.1174.7-176.3-95.2000110.8Y142 T169 L171 Q190 P191 H197 I199 I208 W231Y142-F156 WeakPolarHBondContact CE1-O 3.32Å; Y142-F156 PolarHBondContact OH-N 2.83Å; Y142-F156 PolarHBondContact OH-O 3.2Å; F156-T169 WeakPolarHBondContact CE2-O 3.46Å; F156-L171 HydrophobicContact CB-CD1 4.11Å; F156-L171 HydrophobicContact CD2-CB 4.45Å; F156-Q190 HydrophobicContact CE2-CB 4.47Å; F156-Q190 HydrophobicContact CZ-CB 4.17Å; F156-Q190 HydrophobicContact CZ-CG 4.32Å; F156-P191 HydrophobicContact CD1-CG 4.24Å; F156-P191 HydrophobicContact CE1-CB 4.11Å; F156-P191 HydrophobicContact CE1-CG 3.6Å; F156-P191 HydrophobicContact CZ-CG 4.24Å; F156-H197 PolarHBondContact O-CE1 3.42Å; F156-H197 PolarHBondContact O-NE2 3.32Å; F156-I199 HydrophobicContact CB-CD1 4.36Å; F156-I208 HydrophobicContact CB-CD1 4.13Å; F156-I208 HydrophobicContact CD1-CD1 3.5Å; F156-I208 VanDerWaalsContact CD1-CD1 3.5Å; F156-I208 HydrophobicContact CE1-CD1 4.29Å; F156-I208 HydrophobicContact CG-CD1 4.11Å; F156-W231 HydrophobicContact CB-CZ2 4.36Å; F156-W231 AromaticContact CD2-CZ2 3.93Å; F156-W231 HydrophobicContact CD2-CZ2 3.93Å; F156-W231 HydrophobicContact CE2-CZ2 4.35Å; F156-W231 HydrophobicContact CG-CH2 4.35Å; F156-W231 HydrophobicContact CG-CZ2 4.01Å
157S96.9Very high96.2Very high1 Ų132.5 Ų32.51%0.00722%0.224CC..  trans52.1-147.1-178.2-153.60000113.8R140 Y142 S193 R194R140-S157 WeakPolarHBondContact CD-O 3.17Å; R140-S157 PolarHBondContact NH1-O 2.88Å; Y142-S157 PolarHBondContact OH-O 3.1Å; S157-S193 WeakPolarHBondContact OG-CA 3.25Å; S157-R194 PolarHBondContact OG-N 3.39Å; S157-R194 PolarHBondContact OG-O 3.23Å
158G97.1Very high96.1Very high1 Ų133.9 Ų33.91%0.0123%0.231CC..  trans123.5175.5-176.200000113.3T141 P165 V166 R194T141-G158 CarbonylContact O-C 3.43Å; T141-G158 WeakPolarHBondContact O-CA 3.4Å; G158-P165 CarbonylContact O-C 3.21Å; G158-P165 WeakPolarHBondContact O-CA 3.31Å; G158-V166 PolarHBondContact O-N 2.73Å; G158-R194 PolarHBondContact N-O 2.82Å; G158-R194 VanDerWaalsContact N-O 3.12Å
159G97.1Very high95.9Very high3 Ų335.3 Ų35.33%0.03124%0.239CC..EExtended strand (participates in β ladder)trans-83.7143179.100000113.2N111 R140 T141 H195N111-G159 PolarHBondContact ND2-O 2.8Å; R140-G159 VanDerWaalsContact CA-O 3.25Å; R140-G159 WeakPolarHBondContact CA-O 3.23Å; T141-G159 PolarHBondContact N-O 3.43Å; T141-G159 VanDerWaalsContact N-O 3.12Å; T141-G159 PolarHBondContact O-N 2.92Å; T141-G159 WeakPolarHBondContact OG1-CA 3.47Å; G159-H195 VanDerWaalsContact CA-CB 3.43Å
160E95.9Very high95.8Very high97 Ų9738.4 Ų38.445%0.45325%0.251SS..EExtended strand (participates in β ladder)trans-107.8-61.6173.3-177.3165.5-164.100111N111 A164 V166N111-E160 PolarHBondContact ND2-O 2.83Å; E160-A164 PolarHBondContact N-O 3.02Å; E160-V166 HydrophobicContact CB-CG1 3.94Å
161A92.4Very high95.8Very high69 Ų6937.5 Ų37.557%0.5724%0.24SC*.EExtended strand (participates in β ladder)trans-158131.1178.300000111A163 A164A161-A163 PolarHBondContact O-N 2.98Å; A161-A164 PolarHBondContact N-O 3.29Å; A161-A164 VanDerWaalsContact O-CB 3.26Å; A161-A164 WeakPolarHBondContact O-CB 3.24Å; A161-A164 PolarHBondContact O-N 3.07Å
162G88.9Confident95.8Very high75 Ų7535.8 Ų35.877%0.77323%0.231SC*.THydrogen-bonded Turntrans54.8-127.2-176.800000111.4A164G162-A164 VanDerWaalsContact C-N 3.29Å; G162-A164 PolarHBondContact O-N 3.04Å
163A90.7Very high95.8Very high43 Ų4332.7 Ų32.736%0.35522%0.218SC..THydrogen-bonded Turntrans-85.24.8177.500000114.4A161 H195 M212 G214A161-A163 PolarHBondContact O-N 2.98Å; A163-H195 WeakPolarHBondContact CA-NE2 3.46Å; A163-H195 PolarHBondContact O-NE2 2.79Å; A163-M212 HydrophobicContact CB-CE 4.21Å; A163-G214 PolarHBondContact O-N 3.21Å
164A95.5Very high95.8Very high45 Ų4532.6 Ų32.637%0.37222%0.218SC..EExtended strand (participates in β ladder)trans-88.5123.7-177.700000110.7E160 A161 G162E160-A164 PolarHBondContact N-O 3.02Å; A161-A164 PolarHBondContact N-O 3.29Å; A161-A164 VanDerWaalsContact O-CB 3.26Å; A161-A164 WeakPolarHBondContact O-CB 3.24Å; A161-A164 PolarHBondContact O-N 3.07Å; G162-A164 VanDerWaalsContact C-N 3.29Å; G162-A164 PolarHBondContact O-N 3.04Å
165P97.4Very high95.8Very high25 Ų2533.2 Ų33.216%0.16222%0.222CC..EExtended strand (participates in β ladder)trans-75.2161.6168.734.6-35.9000110.8G158 A213G158-P165 CarbonylContact O-C 3.21Å; G158-P165 WeakPolarHBondContact O-CA 3.31Å; P165-A213 HydrophobicContact CG-CB 3.92Å
166V96.9Very high95.8Very high3 Ų333.7 Ų33.72%0.01823%0.225CC..PPolyproline II helixtrans-58.9140.8172.2-65.90000112R140 G158 E160 D168R140-V166 HydrophobicContact CB-CG1 3.79Å; G158-V166 PolarHBondContact O-N 2.73Å; E160-V166 HydrophobicContact CB-CG1 3.94Å; V166-D168 HydrophobicContact CB-CB 4.48Å; V166-D168 HydrophobicContact CG2-CB 4.33Å; V166-D168 PolarHBondContact O-N 2.84Å
167S95.2Very high95.8Very high101 Ų10138.5 Ų38.571%0.70625%0.254SS*.SBendtrans-69.9-14.4170.957.40000113.7T169S167-T169 PolarHBondContact O-N 2.75Å
168D94.6Very high95.8Very high29 Ų2941.3 Ų41.316%0.15527%0.273CS..  trans-69.5115.8174.8-174.1-0.7000111.1R140 V166 K170 H172R140-D168 IonicContact CZ-OD2 3.45Å; R140-D168 IonicContact NH2-OD2 3.26Å; R140-D168 PolarHBondContact NH2-OD2 2.88Å; V166-D168 HydrophobicContact CB-CB 4.48Å; V166-D168 HydrophobicContact CG2-CB 4.33Å; V166-D168 PolarHBondContact O-N 2.84Å; D168-K170 WeakPolarHBondContact OD1-CB 3.41Å; D168-K170 PolarHBondContact OD1-N 3.25Å; D168-H172 IonicContact OD1-NE2 2.79Å; D168-H172 IonicContact OD2-CD2 3.6Å; D168-H172 IonicContact OD2-CE1 3.91Å; D168-H172 IonicContact OD2-NE2 2.63Å; D168-H172 PolarHBondContact OD2-NE2 2.84Å
169T91.5Very high95.8Very high61 Ų6142.6 Ų42.637%0.37428%0.283SS..  trans-102.31.7-176.156.10000113.1F156 S167 Q190F156-T169 WeakPolarHBondContact CE2-O 3.46Å; S167-T169 PolarHBondContact O-N 2.75Å; T169-Q190 PolarHBondContact O-NE2 2.96Å
170K95.6Very high95.9Very high105 Ų10543.8 Ų43.846%0.45729%0.289SS..SBendtrans-86.4152.4-176.1-60.7-63.2-171.7178.10111.2D168 Q183D168-K170 WeakPolarHBondContact OD1-CB 3.41Å; D168-K170 PolarHBondContact OD1-N 3.25Å; K170-Q183 HydrophobicContact CB-CG 3.83Å; K170-Q183 HydrophobicContact CG-CG 4.31Å
171L97.6Very high96Very high3 Ų339.3 Ų39.32%0.01627%0.268CS..  trans-84.1125.7166.8176.468000108.3Y154 F156 V173 Q183 P184 T186 L224 M229 W231Y154-L171 HydrophobicContact CD1-CD1 4.26Å; Y154-L171 HydrophobicContact CD1-CD2 4.29Å; F156-L171 HydrophobicContact CB-CD1 4.11Å; F156-L171 HydrophobicContact CD2-CB 4.45Å; L171-V173 HydrophobicContact CD2-CG2 4.41Å; L171-V173 HydrophobicContact CG-CG2 4.28Å; L171-Q183 WeakPolarHBondContact O-CG 3.16Å; L171-P184 HydrophobicContact CD2-CG 3.91Å; L171-P184 HydrophobicContact CG-CG 4.34Å; L171-T186 HydrophobicContact CB-CG2 3.89Å; L171-T186 HydrophobicContact CD2-CG2 3.65Å; L171-T186 HydrophobicContact CG-CG2 4.45Å; L171-L224 HydrophobicContact CD1-CD2 4.33Å; L171-L224 HydrophobicContact CD2-CD2 3.37Å; L171-M229 HydrophobicContact CD2-SD 4.18Å; L171-W231 HydrophobicContact CD1-CZ2 4.41Å
172H98.2Very high96.2Very high4 Ų439.7 Ų39.72%0.01926%0.257CS..EExtended strand (participates in β ladder)trans-107.8139.4171.5-65.3-94.8000109.5E135 P137 V155 D168 W181E135-H172 PolarHBondContact O-ND1 2.97Å; P137-H172 HydrophobicContact CB-CB 4.26Å; P137-H172 HydrophobicContact CG-CB 4.4Å; V155-H172 HydrophobicContact CB-CB 4.14Å; V155-H172 HydrophobicContact CG1-CB 4.36Å; V155-H172 PolarHBondContact N-O 2.84Å; V155-H172 PolarHBondContact O-N 2.9Å; D168-H172 IonicContact OD1-NE2 2.79Å; D168-H172 IonicContact OD2-CD2 3.6Å; D168-H172 IonicContact OD2-CE1 3.91Å; D168-H172 IonicContact OD2-NE2 2.63Å; D168-H172 PolarHBondContact OD2-NE2 2.84Å; H172-W181 HydrophobicContact CB-CE3 3.71Å; H172-W181 HydrophobicContact CB-CZ3 3.7Å
173V98.4Very high96.6Very high6 Ų639.6 Ų39.64%0.03624%0.236CC..EExtended strand (participates in β ladder)trans-124.8121.7176.2-176.50000108.4K152 L153 Y154 L171 W181 F182 P184K152-V173 HydrophobicContact CB-CG1 3.8Å; K152-V173 HydrophobicContact CD-CG1 4.02Å; K152-V173 HydrophobicContact CG-CG1 4.21Å; L153-V173 CarbonylContact O-C 3.39Å; L153-V173 VanDerWaalsContact O-CA 3.28Å; L153-V173 WeakPolarHBondContact O-CA 3.41Å; Y154-V173 HydrophobicContact CD1-CG2 3.72Å; Y154-V173 HydrophobicContact CE1-CG1 4.43Å; Y154-V173 HydrophobicContact CE1-CG2 3.72Å; Y154-V173 HydrophobicContact CE2-CG1 4.46Å; Y154-V173 HydrophobicContact CG-CG2 4.4Å; L171-V173 HydrophobicContact CD2-CG2 4.41Å; L171-V173 HydrophobicContact CG-CG2 4.28Å; V173-W181 CarbonylContact O-C 3.43Å; V173-W181 WeakPolarHBondContact O-CA 3.42Å; V173-F182 HydrophobicContact CB-CD2 4.49Å; V173-F182 PolarHBondContact N-O 2.94Å; V173-F182 VanDerWaalsContact O-CD2 3.29Å; V173-F182 WeakPolarHBondContact O-CD2 3.11Å; V173-F182 PolarHBondContact O-N 2.86Å; V173-P184 HydrophobicContact CG2-CG 3.81Å
174F98.5Very high96.9Very high0 Ų039.1 Ų39.10%023%0.23CC..EExtended strand (participates in β ladder)trans-100.8124.8173.7-179.5-108.3000109.9W101 I115 V130 A132 K152 L153 T176 S179 W181W101-F174 HydrophobicContact CE3-CE1 4.06Å; W101-F174 HydrophobicContact CH2-CE1 4.43Å; W101-F174 AromaticContact CZ3-CE1 3.75Å; W101-F174 HydrophobicContact CZ3-CE1 3.75Å; W101-F174 HydrophobicContact CZ3-CZ 4.08Å; I115-F174 HydrophobicContact CD1-CB 4.34Å; I115-F174 HydrophobicContact CD1-CD1 3.52Å; I115-F174 HydrophobicContact CD1-CD2 3.39Å; I115-F174 HydrophobicContact CD1-CE1 3.48Å; I115-F174 VanDerWaalsContact CD1-CE1 3.48Å; I115-F174 HydrophobicContact CD1-CE2 3.36Å; I115-F174 HydrophobicContact CD1-CG 3.47Å; I115-F174 VanDerWaalsContact CD1-CG 3.47Å; I115-F174 HydrophobicContact CD1-CZ 3.39Å; I115-F174 HydrophobicContact CG2-CE1 4.34Å; I115-F174 HydrophobicContact CG2-CZ 4.43Å; V130-F174 HydrophobicContact CG1-CZ 4.24Å; A132-F174 HydrophobicContact CB-CE2 3.85Å; K152-F174 CarbonylContact C-O 3.58Å; K152-F174 VanDerWaalsContact CA-O 3.27Å; K152-F174 WeakPolarHBondContact CA-O 3.38Å; L153-F174 HydrophobicContact CB-CB 4.29Å; L153-F174 PolarHBondContact N-O 2.87Å; L153-F174 PolarHBondContact O-N 2.81Å; F174-T176 HydrophobicContact CD1-CG2 4.05Å; F174-T176 HydrophobicContact CE1-CG2 3.92Å; F174-S179 VanDerWaalsContact CE2-C 3.46Å; F174-W181 HydrophobicContact CB-CD2 3.74Å; F174-W181 HydrophobicContact CB-CE3 3.58Å; F174-W181 HydrophobicContact CB-CH2 3.71Å; F174-W181 HydrophobicContact CB-CZ2 3.87Å; F174-W181 HydrophobicContact CB-CZ3 3.57Å; F174-W181 AromaticContact CD2-CD1 3.73Å; F174-W181 AromaticContact CD2-CD2 3.84Å; F174-W181 HydrophobicContact CD2-CD2 3.84Å; F174-W181 AromaticContact CD2-CE2 3.65Å; F174-W181 AromaticContact CD2-CG 3.93Å; F174-W181 HydrophobicContact CD2-CG 3.93Å; F174-W181 HydrophobicContact CD2-CZ2 4.27Å; F174-W181 AromaticContact CD2-NE1 3.54Å; F174-W181 HydrophobicContact CG-CD2 4.23Å; F174-W181 HydrophobicContact CG-CZ2 4.23Å
175D98.1Very high97Very high24 Ų2445.5 Ų45.513%0.12825%0.252CS..EExtended strand (participates in β ladder)trans-95.4119.4171.6-179.3-39.9000109.9K152 V177 S178 S179 T180 F182K152-D175 HydrophobicContact CG-CB 4.46Å; K152-D175 IonicContact NZ-OD2 3.88Å; K152-D175 PolarHBondContact NZ-OD2 3.45Å; D175-V177 VanDerWaalsContact C-N 3.31Å; D175-V177 PolarHBondContact O-N 2.8Å; D175-V177 WeakPolarHBondContact OD1-CA 3.4Å; D175-V177 VanDerWaalsContact OD1-CB 3.25Å; D175-V177 WeakPolarHBondContact OD1-CB 3.36Å; D175-V177 PolarHBondContact OD1-N 2.89Å; D175-S178 PolarHBondContact OD1-N 3.5Å; D175-S179 VanDerWaalsContact O-CA 3.22Å; D175-S179 WeakPolarHBondContact O-CA 3.32Å; D175-S179 PolarHBondContact O-N 2.99Å; D175-T180 PolarHBondContact N-O 2.92Å; D175-T180 PolarHBondContact O-N 3.21Å; D175-F182 HydrophobicContact CB-CE2 3.44Å; D175-F182 VanDerWaalsContact CB-CE2 3.44Å; D175-F182 HydrophobicContact CB-CZ 3.76Å
176T97.8Very high97Very high11 Ų1146.4 Ų46.47%0.06726%0.257CS..THydrogen-bonded Turntrans-71.6-24.6-177.455.60000113.2F91 S93 W101 D151 F174F91-T176 HydrophobicContact CE2-CG2 3.68Å; F91-T176 HydrophobicContact CZ-CG2 4.07Å; S93-T176 WeakPolarHBondContact CB-OG1 3.39Å; W101-T176 HydrophobicContact CD2-CG2 4.06Å; W101-T176 HydrophobicContact CE3-CG2 4.41Å; W101-T176 HydrophobicContact CH2-CG2 4.3Å; W101-T176 HydrophobicContact CZ2-CG2 3.98Å; D151-T176 WeakPolarHBondContact CB-OG1 3.45Å; D151-T176 PolarHBondContact O-N 3.38Å; D151-T176 PolarHBondContact O-OG1 3.09Å; D151-T176 VanDerWaalsContact O-OG1 3.11Å; F174-T176 HydrophobicContact CD1-CG2 4.05Å; F174-T176 HydrophobicContact CE1-CG2 3.92Å
177V96.9Very high97Very high103 Ų10352.5 Ų52.562%0.62429%0.285SS*.THydrogen-bonded Turntrans-74.6-49.3179.6-178.10000109.9D151 D175D151-V177 HydrophobicContact CB-CG2 3.91Å; D175-V177 VanDerWaalsContact C-N 3.31Å; D175-V177 PolarHBondContact O-N 2.8Å; D175-V177 WeakPolarHBondContact OD1-CA 3.4Å; D175-V177 VanDerWaalsContact OD1-CB 3.25Å; D175-V177 WeakPolarHBondContact OD1-CB 3.36Å; D175-V177 PolarHBondContact OD1-N 2.89Å
178S97.1Very high97.1Very high59 Ų5950.5 Ų50.541%0.41328%0.28SS..THydrogen-bonded Turntrans-88.9-7179.8760000113.8D175 T180D175-S178 PolarHBondContact OD1-N 3.5Å; S178-T180 PolarHBondContact O-N 3.44Å; S178-T180 PolarHBondContact O-OG1 3.37Å; S178-T180 WeakPolarHBondContact OG-CB 3.43Å; S178-T180 PolarHBondContact OG-OG1 2.84Å
179S97.5Very high97.2Very high29 Ų2956.6 Ų56.620%0.20330%0.301CS..THydrogen-bonded Turntrans50.344.4-173.1-61.20000112.4A132 K133 F174 D175A132-S179 WeakPolarHBondContact CA-O 3.2Å; K133-S179 PolarHBondContact N-O 2.93Å; K133-S179 VanDerWaalsContact N-O 3.16Å; F174-S179 VanDerWaalsContact CE2-C 3.46Å; D175-S179 VanDerWaalsContact O-CA 3.22Å; D175-S179 WeakPolarHBondContact O-CA 3.32Å; D175-S179 PolarHBondContact O-N 2.99Å
180T98.3Very high97.4Very high28 Ų2857 Ų5717%0.17230%0.299CS..EExtended strand (participates in β ladder)trans-130138.8-174.5-55.30000111K133 D175 S178 F182K133-T180 HydrophobicContact CB-CG2 4.38Å; D175-T180 PolarHBondContact N-O 2.92Å; D175-T180 PolarHBondContact O-N 3.21Å; S178-T180 PolarHBondContact O-N 3.44Å; S178-T180 PolarHBondContact O-OG1 3.37Å; S178-T180 WeakPolarHBondContact OG-CB 3.43Å; S178-T180 PolarHBondContact OG-OG1 2.84Å; T180-F182 HydrophobicContact CG2-CD1 4.02Å; T180-F182 HydrophobicContact CG2-CE1 3.49Å; T180-F182 VanDerWaalsContact CG2-CE1 3.49Å; T180-F182 HydrophobicContact CG2-CZ 3.95Å; T180-F182 WeakPolarHBondContact O-CE2 3.32Å; T180-F182 WeakPolarHBondContact O-CZ 3.27Å
181W98.5Very high97.5Very high2 Ų252.1 Ų52.11%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-89.8139.5169.1-70.496.7000111.4F103 I115 K133 G134 E135 L136 P137 L153 V155 H172 V173 F174F103-W181 HydrophobicContact CD1-CH2 4.34Å; F103-W181 AromaticContact CD2-CH2 4Å; F103-W181 HydrophobicContact CD2-CH2 4Å; F103-W181 AromaticContact CD2-CZ2 3.6Å; F103-W181 HydrophobicContact CD2-CZ2 3.6Å; F103-W181 HydrophobicContact CE1-CH2 4.2Å; F103-W181 AromaticContact CE2-CH2 3.84Å; F103-W181 HydrophobicContact CE2-CH2 3.84Å; F103-W181 AromaticContact CE2-CZ2 3.49Å; F103-W181 HydrophobicContact CE2-CZ2 3.49Å; F103-W181 VanDerWaalsContact CE2-CZ2 3.49Å; F103-W181 HydrophobicContact CG-CH2 4.25Å; F103-W181 HydrophobicContact CG-CZ2 4.25Å; F103-W181 AromaticContact CZ-CH2 3.96Å; F103-W181 HydrophobicContact CZ-CH2 3.96Å; F103-W181 HydrophobicContact CZ-CZ2 4.08Å; I115-W181 HydrophobicContact CD1-CZ2 3.56Å; I115-W181 HydrophobicContact CG1-CZ2 4.1Å; K133-W181 PolarHBondContact O-N 3.19Å; G134-W181 WeakPolarHBondContact CA-O 3.28Å; E135-W181 PolarHBondContact N-O 2.54Å; E135-W181 VanDerWaalsContact N-O 3.15Å; E135-W181 WeakPolarHBondContact O-CB 3.26Å; L136-W181 HydrophobicContact CG-CG 4.35Å; P137-W181 HydrophobicContact CG-CD2 4.39Å; P137-W181 HydrophobicContact CG-CE3 4.29Å; P137-W181 HydrophobicContact CG-CH2 3.81Å; P137-W181 HydrophobicContact CG-CZ2 3.88Å; P137-W181 HydrophobicContact CG-CZ3 4.01Å; L153-W181 HydrophobicContact CD2-CH2 4.32Å; V155-W181 HydrophobicContact CB-CH2 4.31Å; V155-W181 HydrophobicContact CB-CZ3 4.05Å; V155-W181 HydrophobicContact CG2-CH2 3.72Å; V155-W181 HydrophobicContact CG2-CZ3 3.83Å; H172-W181 HydrophobicContact CB-CE3 3.71Å; H172-W181 HydrophobicContact CB-CZ3 3.7Å; V173-W181 CarbonylContact O-C 3.43Å; V173-W181 WeakPolarHBondContact O-CA 3.42Å; F174-W181 HydrophobicContact CB-CD2 3.74Å; F174-W181 HydrophobicContact CB-CE3 3.58Å; F174-W181 HydrophobicContact CB-CH2 3.71Å; F174-W181 HydrophobicContact CB-CZ2 3.87Å; F174-W181 HydrophobicContact CB-CZ3 3.57Å; F174-W181 AromaticContact CD2-CD1 3.73Å; F174-W181 AromaticContact CD2-CD2 3.84Å; F174-W181 HydrophobicContact CD2-CD2 3.84Å; F174-W181 AromaticContact CD2-CE2 3.65Å; F174-W181 AromaticContact CD2-CG 3.93Å; F174-W181 HydrophobicContact CD2-CG 3.93Å; F174-W181 HydrophobicContact CD2-CZ2 4.27Å; F174-W181 AromaticContact CD2-NE1 3.54Å; F174-W181 HydrophobicContact CG-CD2 4.23Å; F174-W181 HydrophobicContact CG-CZ2 4.23Å
182F96.7Very high97.5Very high78 Ų7854.7 Ų54.734%0.34230%0.3SS..EExtended strand (participates in β ladder)trans-131.4154.5170.9-24.8-93000109.4V173 D175 T180 P184V173-F182 HydrophobicContact CB-CD2 4.49Å; V173-F182 PolarHBondContact N-O 2.94Å; V173-F182 VanDerWaalsContact O-CD2 3.29Å; V173-F182 WeakPolarHBondContact O-CD2 3.11Å; V173-F182 PolarHBondContact O-N 2.86Å; D175-F182 HydrophobicContact CB-CE2 3.44Å; D175-F182 VanDerWaalsContact CB-CE2 3.44Å; D175-F182 HydrophobicContact CB-CZ 3.76Å; T180-F182 HydrophobicContact CG2-CD1 4.02Å; T180-F182 HydrophobicContact CG2-CE1 3.49Å; T180-F182 VanDerWaalsContact CG2-CE1 3.49Å; T180-F182 HydrophobicContact CG2-CZ 3.95Å; T180-F182 WeakPolarHBondContact O-CE2 3.32Å; T180-F182 WeakPolarHBondContact O-CZ 3.27Å; F182-P184 WeakPolarHBondContact O-CD 3.26Å
183Q97.6Very high97.4Very high72 Ų7256 Ų5634%0.33631%0.31SS..  trans-118.483.6177.5-167.4-168.8-7600108.8E135 K170 L171E135-Q183 HydrophobicContact CB-CB 4.07Å; E135-Q183 HydrophobicContact CG-CB 4.44Å; K170-Q183 HydrophobicContact CB-CG 3.83Å; K170-Q183 HydrophobicContact CG-CG 4.31Å; L171-Q183 WeakPolarHBondContact O-CG 3.16Å
184P96.8Very high97.4Very high33 Ų3355.8 Ų55.821%0.21431%0.308CS..  trans-61.4143.2179.127.1-35.1000110.6L171 V173 F182 T186 M229L171-P184 HydrophobicContact CD2-CG 3.91Å; L171-P184 HydrophobicContact CG-CG 4.34Å; V173-P184 HydrophobicContact CG2-CG 3.81Å; F182-P184 WeakPolarHBondContact O-CD 3.26Å; P184-T186 PolarHBondContact O-N 3.18Å; P184-M229 HydrophobicContact CB-CE 4.11Å; P184-M229 HydrophobicContact CB-CG 4.03Å; P184-M229 HydrophobicContact CB-SD 4.13Å; P184-M229 HydrophobicContact CG-CE 4.08Å; P184-M229 HydrophobicContact CG-SD 4.02Å
185E96.8Very high97.4Very high180 Ų18056.4 Ų56.484%0.84131%0.311SS*.  trans-65130.8168.5-67.4-168.816700109.2M229E185-M229 WeakPolarHBondContact O-CB 3.35Å
186T97.7Very high97.3Very high43 Ų4355.4 Ų55.426%0.26431%0.306SS..  trans-113.4149.817860.10000110.6L171 P184 L224 M229L171-T186 HydrophobicContact CB-CG2 3.89Å; L171-T186 HydrophobicContact CD2-CG2 3.65Å; L171-T186 HydrophobicContact CG-CG2 4.45Å; P184-T186 PolarHBondContact O-N 3.18Å; T186-L224 HydrophobicContact CG2-CD1 4.46Å; T186-M229 CarbonylContact C-O 3.57Å; T186-M229 WeakPolarHBondContact CA-O 3.06Å; T186-M229 HydrophobicContact CG2-CB 4.38Å
187Q97.8Very high97.3Very high131 Ų13154.9 Ų54.961%0.61230%0.303SS*.EExtended strand (participates in β ladder)trans-120.8170.3179.2-60.1-177.8500110.9M229 K230 W231Q187-M229 PolarHBondContact N-O 3.17Å; Q187-K230 HydrophobicContact CB-CG 4.36Å; Q187-W231 PolarHBondContact O-N 3.46Å
188G97.3Very high97.4Very high59 Ų5950.2 Ų50.261%0.60827%0.274SS*.EExtended strand (participates in β ladder)trans81.2-155.2174.800000113.3W231G188-W231 WeakPolarHBondContact CA-O 3.35Å
189R95.7Very high97.4Very high158 Ų15847.5 Ų47.560%0.59626%0.255SS*.  trans-105.595-171.2-174.9-177.2176.8169.64.4110.5Y222 W231R189-Y222 HydrophobicContact CG-CE1 4.49Å; R189-Y222 WeakPolarHBondContact O-CD1 3.28Å; R189-W231 PolarHBondContact N-O 2.76Å; R189-W231 WeakPolarHBondContact O-CB 3.46Å
190Q96.9Very high97.5Very high68 Ų6846.4 Ų46.432%0.31825%0.248SC..PPolyproline II helixtrans-72.3157.6175.173-178.924.200112.5F156 T169 W231F156-Q190 HydrophobicContact CE2-CB 4.47Å; F156-Q190 HydrophobicContact CZ-CB 4.17Å; F156-Q190 HydrophobicContact CZ-CG 4.32Å; T169-Q190 PolarHBondContact O-NE2 2.96Å; Q190-W231 HydrophobicContact CB-CB 4.23Å; Q190-W231 HydrophobicContact CB-CD2 4.24Å; Q190-W231 HydrophobicContact CB-CG 3.79Å
191P97.4Very high97.5Very high4 Ų446.1 Ų46.13%0.02625%0.249CC..PPolyproline II helixtrans-63.9153.6171.70.27.6000111.6F156 I208 Y222 W231F156-P191 HydrophobicContact CD1-CG 4.24Å; F156-P191 HydrophobicContact CE1-CB 4.11Å; F156-P191 HydrophobicContact CE1-CG 3.6Å; F156-P191 HydrophobicContact CZ-CG 4.24Å; P191-I208 HydrophobicContact CG-CB 4.48Å; P191-I208 HydrophobicContact CG-CD1 3.98Å; P191-I208 HydrophobicContact CG-CG2 4.36Å; P191-Y222 HydrophobicContact CB-CD1 4.46Å; P191-Y222 HydrophobicContact CB-CD2 3.64Å; P191-Y222 HydrophobicContact CB-CE2 3.72Å; P191-Y222 HydrophobicContact CB-CG 4.04Å; P191-Y222 HydrophobicContact CG-CD1 4.28Å; P191-Y222 HydrophobicContact CG-CD2 3.79Å; P191-Y222 HydrophobicContact CG-CE2 4.35Å; P191-Y222 HydrophobicContact CG-CG 3.76Å; P191-W231 HydrophobicContact CG-CZ3 4.39Å
192A97.1Very high97.5Very high56 Ų5646.8 Ų46.846%0.46325%0.253SS..PPolyproline II helixtrans-64.8150.8163.400000110.8R194 F218A192-R194 PolarHBondContact O-N 3.19Å; A192-R194 PolarHBondContact O-NE 3.42Å; A192-F218 HydrophobicContact CB-CZ 4.45Å
193S97.3Very high97.5Very high33 Ų3346.3 Ų46.323%0.23127%0.269CS..PPolyproline II helixtrans-53136.1175.4-610000111.4S157S157-S193 WeakPolarHBondContact OG-CA 3.25Å
194R97.9Very high97.4Very high0 Ų046.1 Ų46.10%028%0.276CS..  trans-159.9150.3-170.459.1-174.468.1-159.1-0111.3S157 G158 A192 H197 G210 M212 F218 D220S157-R194 PolarHBondContact OG-N 3.39Å; S157-R194 PolarHBondContact OG-O 3.23Å; G158-R194 PolarHBondContact N-O 2.82Å; G158-R194 VanDerWaalsContact N-O 3.12Å; A192-R194 PolarHBondContact O-N 3.19Å; A192-R194 PolarHBondContact O-NE 3.42Å; R194-H197 HydrophobicContact CG-CB 4.09Å; R194-H197 PolarHBondContact O-ND1 3.37Å; R194-G210 VanDerWaalsContact CD-O 3.27Å; R194-G210 WeakPolarHBondContact CD-O 3.39Å; R194-G210 PolarHBondContact NH1-O 2.83Å; R194-M212 CarbonylContact C-O 3.59Å; R194-M212 VanDerWaalsContact CA-O 3.27Å; R194-M212 WeakPolarHBondContact CA-O 3.04Å; R194-F218 HydrophobicContact CB-CD2 4.03Å; R194-F218 HydrophobicContact CB-CE2 3.91Å; R194-D220 IonicContact CZ-OD1 2.7Å; R194-D220 IonicContact NH1-OD1 3.61Å; R194-D220 PolarHBondContact NH1-OD1 3.37Å; R194-D220 IonicContact NH2-OD1 3.55Å; R194-D220 PolarHBondContact NH2-OD1 2.7Å; R194-D220 IonicContact NH2-OD2 3.92Å
195H97.3Very high97.5Very high14 Ų1447.7 Ų47.77%0.06528%0.28CS..EExtended strand (participates in β ladder)trans-121.5168.1168.978.699.1000110.6H143 G159 A163 H197 G211 M212H143-H195 AromaticContact NE2-ND1 3.23Å; H143-H195 PolarHBondContact NE2-ND1 2.97Å; G159-H195 VanDerWaalsContact CA-CB 3.43Å; A163-H195 WeakPolarHBondContact CA-NE2 3.46Å; A163-H195 PolarHBondContact O-NE2 2.79Å; H195-H197 PolarHBondContact O-N 2.92Å; H195-H197 VanDerWaalsContact O-N 3.14Å; H195-G211 CarbonylContact O-C 3.51Å; H195-G211 WeakPolarHBondContact O-CA 3.39Å; H195-M212 PolarHBondContact CD2-O 3.29Å; H195-M212 VanDerWaalsContact CD2-O 3.31Å; H195-M212 PolarHBondContact N-O 3.21Å; H195-M212 VanDerWaalsContact NE2-CG 3.27Å; H195-M212 WeakPolarHBondContact NE2-CG 3.34Å; H195-M212 PolarHBondContact O-N 3.33Å
196G96.9Very high97.6Very high2 Ų239.1 Ų39.12%0.02124%0.24CC..EExtended strand (participates in β ladder)trans63.118.1-175.600000114.4H143 A245 A246H143-G196 WeakPolarHBondContact CD2-CA 3.21Å; H143-G196 PolarHBondContact CD2-N 3.31Å; G196-A245 CarbonylContact O-C 3.46Å; G196-A245 VanDerWaalsContact O-CA 3.25Å; G196-A245 WeakPolarHBondContact O-CA 3.4Å; G196-A246 PolarHBondContact O-N 2.85Å
197H98.3Very high97.6Very high1 Ų138 Ų381%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-83.5157.1175.765.4-85.4000109.9Y142 S145 F156 R194 H195 I208 H209Y142-H197 AromaticContact CE1-NE2 3.96Å; S145-H197 PolarHBondContact OG-O 3.42Å; S145-H197 VanDerWaalsContact OG-O 3.09Å; F156-H197 PolarHBondContact O-CE1 3.42Å; F156-H197 PolarHBondContact O-NE2 3.32Å; R194-H197 HydrophobicContact CG-CB 4.09Å; R194-H197 PolarHBondContact O-ND1 3.37Å; H195-H197 PolarHBondContact O-N 2.92Å; H195-H197 VanDerWaalsContact O-N 3.14Å; H197-I208 HydrophobicContact CB-CG2 4.34Å; H197-H209 WeakPolarHBondContact CA-O 3.48Å; H197-H209 WeakPolarHBondContact CB-O 3.4Å
198V98.3Very high97.7Very high4 Ų431.7 Ų31.72%0.02420%0.201CC..EExtended strand (participates in β ladder)trans-86.4131.5163.4162.50000108.5A200 I208 H209 H247 A249V198-A200 HydrophobicContact CG1-CB 4.22Å; V198-I208 VanDerWaalsContact O-CA 3.29Å; V198-I208 WeakPolarHBondContact O-CA 3.28Å; V198-H209 PolarHBondContact N-O 3.23Å; V198-H209 PolarHBondContact O-N 2.94Å; V198-H247 WeakPolarHBondContact CG2-CD2 3.16Å; V198-H247 WeakPolarHBondContact CG2-NE2 3.41Å; V198-H247 WeakPolarHBondContact CG2-O 3.42Å; V198-A249 HydrophobicContact CB-CB 4.26Å; V198-A249 HydrophobicContact CG1-CB 3.45Å; V198-A249 VanDerWaalsContact CG1-CB 3.45Å; V198-A249 HydrophobicContact CG2-CB 3.79Å
199I98.3Very high97.8Very high3 Ų329 Ų292%0.01517%0.173CC..EExtended strand (participates in β ladder)trans-113.8132.1160.3-164.3171.7000108.7Y142 S145 S146 A147 F156 I206 Y207 I208Y142-I199 HydrophobicContact CD1-CG2 4.24Å; Y142-I199 HydrophobicContact CE1-CG2 4.29Å; S145-I199 PolarHBondContact OG-N 2.83Å; S146-I199 CarbonylContact C-O 3.56Å; A147-I199 HydrophobicContact CB-CB 4.49Å; A147-I199 HydrophobicContact CB-CD1 4.33Å; A147-I199 HydrophobicContact CB-CG1 3.79Å; A147-I199 HydrophobicContact CB-CG2 4.29Å; F156-I199 HydrophobicContact CB-CD1 4.36Å; I199-I206 HydrophobicContact CD1-CG2 3.83Å; I199-I206 HydrophobicContact CG1-CG2 3.52Å; I199-Y207 CarbonylContact C-O 3.56Å; I199-Y207 VanDerWaalsContact CA-O 3.32Å; I199-Y207 WeakPolarHBondContact CA-O 3.48Å; I199-I208 HydrophobicContact CB-CG1 4.27Å; I199-I208 HydrophobicContact CD1-CD1 4.19Å; I199-I208 HydrophobicContact CD1-CG1 4.18Å; I199-I208 HydrophobicContact CG1-CD1 4.37Å; I199-I208 HydrophobicContact CG1-CG1 3.81Å
200A98.1Very high97.9Very high6 Ų621.5 Ų21.55%0.0515%0.145CC..EExtended strand (participates in β ladder)trans-146.2146.8-175.200000112.3V198 I206 Y207 V251 I256V198-A200 HydrophobicContact CG1-CB 4.22Å; A200-I206 CarbonylContact O-C 3.55Å; A200-I206 WeakPolarHBondContact O-CA 3.25Å; A200-Y207 PolarHBondContact N-O 2.94Å; A200-Y207 PolarHBondContact O-N 3.4Å; A200-V251 HydrophobicContact CB-CG2 3.82Å; A200-I256 HydrophobicContact CB-CG2 4.48Å
201A98.3Very high97.9Very high22 Ų2218.3 Ų18.318%0.18213%0.13CC..EExtended strand (participates in β ladder)trans-99.2131.9175.900000111.4A147 C148 I149 K205 I206A147-A201 HydrophobicContact CB-CB 4.27Å; C148-A201 VanDerWaalsContact O-CB 3.29Å; C148-A201 WeakPolarHBondContact O-CB 3.32Å; I149-A201 HydrophobicContact CD1-CB 4.45Å; I149-A201 HydrophobicContact CG1-CB 3.73Å; A201-K205 WeakPolarHBondContact CA-O 3.26Å; A201-I206 HydrophobicContact CB-CD1 4Å
202V98.3Very high98Very high16 Ų1619.2 Ų19.210%0.09713%0.134CC..EExtended strand (participates in β ladder)trans-135109.5171.7-174.30000108.8S204 K205 Y207 V251 G253 I256 T276V202-S204 PolarHBondContact O-N 2.89Å; V202-K205 PolarHBondContact N-O 3.14Å; V202-K205 PolarHBondContact O-N 3.14Å; V202-K205 VanDerWaalsContact O-N 3.12Å; V202-Y207 HydrophobicContact CB-CD2 4.13Å; V202-Y207 HydrophobicContact CB-CE2 3.86Å; V202-Y207 HydrophobicContact CG2-CD2 4.01Å; V202-Y207 HydrophobicContact CG2-CE2 4.16Å; V202-V251 HydrophobicContact CG2-CG1 3.77Å; V202-V251 HydrophobicContact CG2-CG2 4.17Å; V202-G253 WeakPolarHBondContact CG1-O 3.31Å; V202-I256 HydrophobicContact CG2-CD1 3.75Å; V202-I256 HydrophobicContact CG2-CG1 3.56Å; V202-T276 HydrophobicContact CB-CG2 4.19Å; V202-T276 HydrophobicContact CG1-CG2 4.06Å; V202-T276 HydrophobicContact CG2-CG2 4.01Å
203G96.8Very high98Very high67 Ų6717.9 Ų17.969%0.69112%0.123SC*.THydrogen-bonded Turntrans58.3-128.1-170.900000111.1K205G203-K205 VanDerWaalsContact C-N 3.31Å; G203-K205 PolarHBondContact O-N 3.23Å
204S96.8Very high97.9Very high68 Ų6817.8 Ų17.848%0.47613%0.127SC..THydrogen-bonded Turntrans-90.717.8177.465.50000114V202 S226V202-S204 PolarHBondContact O-N 2.89Å; S204-S226 WeakPolarHBondContact O-CB 3.26Å; S204-S226 PolarHBondContact O-N 2.72Å; S204-S226 PolarHBondContact O-OG 3.02Å
205K98.6Very high97.7Very high66 Ų6625.4 Ų25.429%0.28717%0.168SC..EExtended strand (participates in β ladder)trans-123.1141.3-178.6-67-168.3175.5-169.70111.6A201 V202 G203 Y207 L224A201-K205 WeakPolarHBondContact CA-O 3.26Å; V202-K205 PolarHBondContact N-O 3.14Å; V202-K205 PolarHBondContact O-N 3.14Å; V202-K205 VanDerWaalsContact O-N 3.12Å; G203-K205 VanDerWaalsContact C-N 3.31Å; G203-K205 PolarHBondContact O-N 3.23Å; K205-Y207 HydrophobicContact CB-CD2 4.33Å; K205-Y207 HydrophobicContact CB-CE2 3.6Å; K205-L224 CarbonylContact C-O 3.57Å; K205-L224 VanDerWaalsContact CA-O 3.27Å; K205-L224 WeakPolarHBondContact CA-O 3.43Å
206I98.6Very high97.8Very high1 Ų131 Ų311%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-98.7136.7169.1-51.1-67.5000107.7A147 I149 Y154 I199 A200 A201 S223 L224A147-I206 HydrophobicContact CB-CD1 3.69Å; A147-I206 HydrophobicContact CB-CG2 3.86Å; I149-I206 HydrophobicContact CD1-CD1 3.45Å; I149-I206 VanDerWaalsContact CD1-CD1 3.45Å; I149-I206 HydrophobicContact CD1-CG1 4.05Å; I149-I206 HydrophobicContact CG1-CD1 3.8Å; Y154-I206 HydrophobicContact CD1-CD1 4.34Å; Y154-I206 HydrophobicContact CD1-CG1 3.97Å; Y154-I206 HydrophobicContact CD2-CD1 3.66Å; Y154-I206 HydrophobicContact CD2-CG1 4.2Å; Y154-I206 HydrophobicContact CE1-CG1 4.49Å; Y154-I206 HydrophobicContact CE2-CD1 4.28Å; Y154-I206 HydrophobicContact CG-CD1 3.72Å; Y154-I206 HydrophobicContact CG-CG1 3.82Å; I199-I206 HydrophobicContact CD1-CG2 3.83Å; I199-I206 HydrophobicContact CG1-CG2 3.52Å; A200-I206 CarbonylContact O-C 3.55Å; A200-I206 WeakPolarHBondContact O-CA 3.25Å; A201-I206 HydrophobicContact CB-CD1 4Å; I206-S223 CarbonylContact O-C 3.57Å; I206-S223 WeakPolarHBondContact O-CA 3.41Å; I206-L224 HydrophobicContact CB-CB 4.21Å; I206-L224 HydrophobicContact CG1-CD2 4.42Å; I206-L224 PolarHBondContact N-O 3.06Å; I206-L224 PolarHBondContact O-N 3.31Å
207Y98.8Very high97.8Very high18 Ų1832.7 Ų32.77%0.07120%0.199CC..EExtended strand (participates in β ladder)trans-118143.3176.7-69-92.3000110.5I199 A200 V202 K205 M221 Y222 V234 I256 F274 T276I199-Y207 CarbonylContact C-O 3.56Å; I199-Y207 VanDerWaalsContact CA-O 3.32Å; I199-Y207 WeakPolarHBondContact CA-O 3.48Å; A200-Y207 PolarHBondContact N-O 2.94Å; A200-Y207 PolarHBondContact O-N 3.4Å; V202-Y207 HydrophobicContact CB-CD2 4.13Å; V202-Y207 HydrophobicContact CB-CE2 3.86Å; V202-Y207 HydrophobicContact CG2-CD2 4.01Å; V202-Y207 HydrophobicContact CG2-CE2 4.16Å; K205-Y207 HydrophobicContact CB-CD2 4.33Å; K205-Y207 HydrophobicContact CB-CE2 3.6Å; Y207-M221 HydrophobicContact CD1-CE 3.68Å; Y207-M221 HydrophobicContact CG-CE 3.98Å; Y207-Y222 CarbonylContact C-O 3.6Å; Y207-Y222 VanDerWaalsContact CA-O 3.26Å; Y207-Y222 WeakPolarHBondContact CA-O 3.1Å; Y207-V234 HydrophobicContact CD1-CG2 4.44Å; Y207-V234 HydrophobicContact CE1-CG2 4.34Å; Y207-I256 HydrophobicContact CD1-CD1 4.42Å; Y207-I256 HydrophobicContact CD2-CD1 3.87Å; Y207-I256 HydrophobicContact CG-CD1 3.71Å; Y207-F274 HydrophobicContact CD1-CE1 4.32Å; Y207-F274 HydrophobicContact CE1-CE1 4.14Å; Y207-T276 HydrophobicContact CD2-CG2 4.29Å; Y207-T276 HydrophobicContact CE1-CG2 4.11Å; Y207-T276 HydrophobicContact CE2-CG2 3.75Å
208I98.6Very high97.8Very high0 Ų033.4 Ų33.40%020%0.202CC..EExtended strand (participates in β ladder)trans-124.3127.6174-68.2177.4000108.9F156 P191 H197 V198 I199 M221 Y222 W231F156-I208 HydrophobicContact CB-CD1 4.13Å; F156-I208 HydrophobicContact CD1-CD1 3.5Å; F156-I208 VanDerWaalsContact CD1-CD1 3.5Å; F156-I208 HydrophobicContact CE1-CD1 4.29Å; F156-I208 HydrophobicContact CG-CD1 4.11Å; P191-I208 HydrophobicContact CG-CB 4.48Å; P191-I208 HydrophobicContact CG-CD1 3.98Å; P191-I208 HydrophobicContact CG-CG2 4.36Å; H197-I208 HydrophobicContact CB-CG2 4.34Å; V198-I208 VanDerWaalsContact O-CA 3.29Å; V198-I208 WeakPolarHBondContact O-CA 3.28Å; I199-I208 HydrophobicContact CB-CG1 4.27Å; I199-I208 HydrophobicContact CD1-CD1 4.19Å; I199-I208 HydrophobicContact CD1-CG1 4.18Å; I199-I208 HydrophobicContact CG1-CD1 4.37Å; I199-I208 HydrophobicContact CG1-CG1 3.81Å; I208-M221 CarbonylContact O-C 3.53Å; I208-M221 WeakPolarHBondContact O-CA 3.42Å; I208-Y222 PolarHBondContact N-O 2.64Å; I208-Y222 PolarHBondContact O-N 2.78Å; I208-W231 HydrophobicContact CD1-CH2 3.49Å; I208-W231 VanDerWaalsContact CD1-CH2 3.49Å; I208-W231 HydrophobicContact CD1-CZ2 4.49Å; I208-W231 HydrophobicContact CD1-CZ3 3.83Å; I208-W231 HydrophobicContact CG1-CH2 4.27Å; I208-W231 HydrophobicContact CG1-CZ3 4.31Å
209H98.7Very high97.8Very high3 Ų335.8 Ų35.81%0.01422%0.219CC..EExtended strand (participates in β ladder)trans-126.7140175.3-178.6-102.4000111.8H197 V198 M221 H247 W281H197-H209 WeakPolarHBondContact CA-O 3.48Å; H197-H209 WeakPolarHBondContact CB-O 3.4Å; V198-H209 PolarHBondContact N-O 3.23Å; V198-H209 PolarHBondContact O-N 2.94Å; H209-M221 HydrophobicContact CB-SD 3.67Å; H209-H247 AromaticContact ND1-CE1 3.84Å; H209-H247 AromaticContact ND1-NE2 3.15Å; H209-H247 PolarHBondContact ND1-NE2 3.03Å; H209-H247 VanDerWaalsContact ND1-NE2 3.15Å; H209-W281 AromaticContact CD2-CH2 3.96Å; H209-W281 AromaticContact CD2-CZ2 3.38Å; H209-W281 WeakPolarHBondContact CD2-CZ2 3.37Å; H209-W281 AromaticContact CG-CZ2 3.86Å; H209-W281 AromaticContact NE2-CZ2 3.71Å
210G98.4Very high97.8Very high0 Ų037 Ų370%023%0.225CC..EExtended strand (participates in β ladder)trans65.9-143.1167.400000113.8R194 F218 D220 V244R194-G210 VanDerWaalsContact CD-O 3.27Å; R194-G210 WeakPolarHBondContact CD-O 3.39Å; R194-G210 PolarHBondContact NH1-O 2.83Å; G210-F218 WeakPolarHBondContact CA-O 3.06Å; G210-D220 PolarHBondContact N-O 3.11Å; G210-V244 CarbonylContact C-O 3.6Å; G210-V244 WeakPolarHBondContact CA-O 3.34Å
211G98.2Very high97.9Very high0 Ų036.8 Ų36.80%022%0.223CC..EExtended strand (participates in β ladder)trans86.9-177.2-17100000113.1H195 F218 V244H195-G211 CarbonylContact O-C 3.51Å; H195-G211 WeakPolarHBondContact O-CA 3.39Å; G211-F218 WeakPolarHBondContact O-CD2 3.39Å; G211-F218 PolarHBondContact O-N 2.97Å; G211-V244 PolarHBondContact N-O 3.02Å
212M97.8Very high97.9Very high24 Ų2436.1 Ų36.112%0.11822%0.216CC..EExtended strand (participates in β ladder)trans-143.4163.3178.666.2-174.8-7200112.8A163 R194 H195 G214 K216 F217 A245A163-M212 HydrophobicContact CB-CE 4.21Å; R194-M212 CarbonylContact C-O 3.59Å; R194-M212 VanDerWaalsContact CA-O 3.27Å; R194-M212 WeakPolarHBondContact CA-O 3.04Å; H195-M212 PolarHBondContact CD2-O 3.29Å; H195-M212 VanDerWaalsContact CD2-O 3.31Å; H195-M212 PolarHBondContact N-O 3.21Å; H195-M212 VanDerWaalsContact NE2-CG 3.27Å; H195-M212 WeakPolarHBondContact NE2-CG 3.34Å; H195-M212 PolarHBondContact O-N 3.33Å; M212-G214 WeakPolarHBondContact CE-O 2.99Å; M212-K216 CarbonylContact C-O 3.58Å; M212-K216 WeakPolarHBondContact CA-O 3.28Å; M212-K216 VanDerWaalsContact CB-O 3.28Å; M212-K216 WeakPolarHBondContact CB-O 3.16Å; M212-F217 HydrophobicContact CB-CD1 4.07Å; M212-F217 HydrophobicContact CB-CE1 4.29Å; M212-F217 HydrophobicContact CB-CG 4.28Å; M212-F217 HydrophobicContact CE-CE1 4.33Å; M212-F217 HydrophobicContact CE-CE2 4.09Å; M212-F217 HydrophobicContact CE-CZ 3.8Å; M212-F217 HydrophobicContact SD-CD1 4.41Å; M212-F217 HydrophobicContact SD-CE1 3.7Å; M212-F217 HydrophobicContact SD-CZ 3.75Å; M212-A245 HydrophobicContact CB-CB 3.97Å; M212-A245 HydrophobicContact CG-CB 3.72Å; M212-A245 HydrophobicContact SD-CB 3.82Å
213A97.4Very high97.9Very high27 Ų2735.8 Ų35.822%0.22321%0.214CC..EExtended strand (participates in β ladder)trans-148.1116169.900000109.4P165 D215 K216 F218P165-A213 HydrophobicContact CG-CB 3.92Å; A213-D215 PolarHBondContact O-N 3.46Å; A213-K216 PolarHBondContact N-O 3.12Å; A213-K216 PolarHBondContact O-N 3.29Å; A213-F218 HydrophobicContact CB-CE2 3.86Å; A213-F218 HydrophobicContact CB-CZ 4.18Å
214G95.8Very high98Very high32 Ų3232.6 Ų32.633%0.3318%0.181SC..THydrogen-bonded Turntrans57.2-130.3-166.700000110.1A163 M212 K216A163-G214 PolarHBondContact O-N 3.21Å; M212-G214 WeakPolarHBondContact CE-O 2.99Å; G214-K216 VanDerWaalsContact C-N 3.28Å; G214-K216 PolarHBondContact O-N 2.78Å
215D94.6Very high98.1Very high160 Ų16031.3 Ų31.386%0.85617%0.169SC*.THydrogen-bonded Turntrans-84.3-1.6-179-52.9-40.4000113.7A213A213-D215 PolarHBondContact O-N 3.46Å
216K97.7Very high98Very high130 Ų13029 Ų2957%0.56516%0.162SC*.EExtended strand (participates in β ladder)trans-92.9116.4-175.8-176.9175.3-179.31750111.2M212 A213 G214 F218M212-K216 CarbonylContact C-O 3.58Å; M212-K216 WeakPolarHBondContact CA-O 3.28Å; M212-K216 VanDerWaalsContact CB-O 3.28Å; M212-K216 WeakPolarHBondContact CB-O 3.16Å; A213-K216 PolarHBondContact N-O 3.12Å; A213-K216 PolarHBondContact O-N 3.29Å; G214-K216 VanDerWaalsContact C-N 3.28Å; G214-K216 PolarHBondContact O-N 2.78Å; K216-F218 HydrophobicContact CD-CD1 4.36Å; K216-F218 HydrophobicContact CD-CE1 3.72Å; K216-F218 HydrophobicContact CD-CZ 4.02Å; K216-F218 VanDerWaalsContact CE-CE1 3.47Å; K216-F218 HydrophobicContact CG-CE1 4.2Å; K216-F218 HydrophobicContact CG-CZ 4.32Å
217F98.4Very high98Very high38 Ų3832.2 Ų32.217%0.16720%0.195CC..EExtended strand (participates in β ladder)trans-88.8134.3165.8-67.6-101.1000110.6M212 A245 L262 V264M212-F217 HydrophobicContact CB-CD1 4.07Å; M212-F217 HydrophobicContact CB-CE1 4.29Å; M212-F217 HydrophobicContact CB-CG 4.28Å; M212-F217 HydrophobicContact CE-CE1 4.33Å; M212-F217 HydrophobicContact CE-CE2 4.09Å; M212-F217 HydrophobicContact CE-CZ 3.8Å; M212-F217 HydrophobicContact SD-CD1 4.41Å; M212-F217 HydrophobicContact SD-CE1 3.7Å; M212-F217 HydrophobicContact SD-CZ 3.75Å; F217-A245 HydrophobicContact CD1-CB 3.98Å; F217-A245 HydrophobicContact CE1-CB 3.9Å; F217-L262 WeakPolarHBondContact CD1-O 3.34Å; F217-L262 HydrophobicContact CE1-CB 4.31Å; F217-L262 HydrophobicContact CE1-CD2 4.2Å; F217-L262 HydrophobicContact CE1-CG 4.01Å; F217-L262 VanDerWaalsContact CE1-O 3.24Å; F217-L262 WeakPolarHBondContact CE1-O 3.06Å; F217-L262 HydrophobicContact CZ-CD2 4.06Å; F217-L262 HydrophobicContact CZ-CG 4.1Å; F217-V264 HydrophobicContact CB-CG1 4.49Å; F217-V264 HydrophobicContact CD2-CG1 3.57Å; F217-V264 HydrophobicContact CE2-CG1 4.13Å; F217-V264 HydrophobicContact CG-CG1 4.24Å
218F98.5Very high97.9Very high17 Ų1736.6 Ų36.68%0.07522%0.218CC..PPolyproline II helixtrans-97.1144.1178.3-59.8-79.7000110.4A192 R194 G210 G211 A213 K216 G243 V244A192-F218 HydrophobicContact CB-CZ 4.45Å; R194-F218 HydrophobicContact CB-CD2 4.03Å; R194-F218 HydrophobicContact CB-CE2 3.91Å; G210-F218 WeakPolarHBondContact CA-O 3.06Å; G211-F218 WeakPolarHBondContact O-CD2 3.39Å; G211-F218 PolarHBondContact O-N 2.97Å; A213-F218 HydrophobicContact CB-CE2 3.86Å; A213-F218 HydrophobicContact CB-CZ 4.18Å; K216-F218 HydrophobicContact CD-CD1 4.36Å; K216-F218 HydrophobicContact CD-CE1 3.72Å; K216-F218 HydrophobicContact CD-CZ 4.02Å; K216-F218 VanDerWaalsContact CE-CE1 3.47Å; K216-F218 HydrophobicContact CG-CE1 4.2Å; K216-F218 HydrophobicContact CG-CZ 4.32Å; F218-G243 VanDerWaalsContact O-CA 3.23Å; F218-G243 WeakPolarHBondContact O-CA 3.46Å; F218-V244 PolarHBondContact O-N 3.06Å; F218-V244 VanDerWaalsContact O-N 3.12Å
219S98.3Very high97.9Very high54 Ų5438.4 Ų38.438%0.37823%0.227SC..  trans-119.48.1170.3570000112.2P241S219-P241 WeakPolarHBondContact CB-O 3.07Å
220D98.4Very high97.9Very high27 Ų2741.7 Ų41.714%0.14424%0.241CC..  trans-83.1154.4-176.458.54.2000112.5R194 G210 Y222 K233R194-D220 IonicContact CZ-OD1 2.7Å; R194-D220 IonicContact NH1-OD1 3.61Å; R194-D220 PolarHBondContact NH1-OD1 3.37Å; R194-D220 IonicContact NH2-OD1 3.55Å; R194-D220 PolarHBondContact NH2-OD1 2.7Å; R194-D220 IonicContact NH2-OD2 3.92Å; G210-D220 PolarHBondContact N-O 3.11Å; D220-Y222 HydrophobicContact CB-CE2 4.02Å; D220-Y222 WeakPolarHBondContact OD2-CE2 3.41Å; D220-Y222 PolarHBondContact OD2-OH 3.19Å; D220-K233 IonicContact OD2-NZ 2.77Å
221M98.5Very high97.9Very high3 Ų341.8 Ų41.82%0.01524%0.242CC..EExtended strand (participates in β ladder)trans-118130.8179.6-172.568.9158.400108.5Y207 I208 H209 V234 S236 I256 F274 W281Y207-M221 HydrophobicContact CD1-CE 3.68Å; Y207-M221 HydrophobicContact CG-CE 3.98Å; I208-M221 CarbonylContact O-C 3.53Å; I208-M221 WeakPolarHBondContact O-CA 3.42Å; H209-M221 HydrophobicContact CB-SD 3.67Å; M221-V234 HydrophobicContact CB-CB 4.01Å; M221-V234 HydrophobicContact CB-CG2 4.47Å; M221-V234 HydrophobicContact CG-CB 3.9Å; M221-V234 HydrophobicContact CG-CG1 4.24Å; M221-V234 HydrophobicContact CG-CG2 3.94Å; M221-V234 WeakPolarHBondContact O-CB 3.31Å; M221-V234 PolarHBondContact O-N 3.09Å; M221-S236 WeakPolarHBondContact CB-OG 3.17Å; M221-I256 HydrophobicContact CE-CD1 3.69Å; M221-F274 HydrophobicContact CE-CB 4.42Å; M221-F274 HydrophobicContact CE-CD1 3.34Å; M221-F274 HydrophobicContact CE-CE1 3.56Å; M221-F274 HydrophobicContact CE-CG 3.87Å; M221-F274 HydrophobicContact CE-CZ 4.28Å; M221-F274 HydrophobicContact CG-CE1 4.37Å; M221-F274 HydrophobicContact CG-CE2 4.5Å; M221-F274 HydrophobicContact CG-CZ 4.22Å; M221-W281 HydrophobicContact CE-CZ2 4.31Å; M221-W281 HydrophobicContact SD-CZ2 4.09Å
222Y98.8Very high97.9Very high8 Ų846 Ų463%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-122.6155.2172.3-66.8-98.4000109.9R189 P191 Y207 I208 D220 E232 K233R189-Y222 HydrophobicContact CG-CE1 4.49Å; R189-Y222 WeakPolarHBondContact O-CD1 3.28Å; P191-Y222 HydrophobicContact CB-CD1 4.46Å; P191-Y222 HydrophobicContact CB-CD2 3.64Å; P191-Y222 HydrophobicContact CB-CE2 3.72Å; P191-Y222 HydrophobicContact CB-CG 4.04Å; P191-Y222 HydrophobicContact CG-CD1 4.28Å; P191-Y222 HydrophobicContact CG-CD2 3.79Å; P191-Y222 HydrophobicContact CG-CE2 4.35Å; P191-Y222 HydrophobicContact CG-CG 3.76Å; Y207-Y222 CarbonylContact C-O 3.6Å; Y207-Y222 VanDerWaalsContact CA-O 3.26Å; Y207-Y222 WeakPolarHBondContact CA-O 3.1Å; I208-Y222 PolarHBondContact N-O 2.64Å; I208-Y222 PolarHBondContact O-N 2.78Å; D220-Y222 HydrophobicContact CB-CE2 4.02Å; D220-Y222 WeakPolarHBondContact OD2-CE2 3.41Å; D220-Y222 PolarHBondContact OD2-OH 3.19Å; Y222-E232 CarbonylContact C-O 3.6Å; Y222-E232 WeakPolarHBondContact CA-O 3.37Å; Y222-K233 HydrophobicContact CD1-CB 3.93Å; Y222-K233 HydrophobicContact CD1-CG 4.28Å; Y222-K233 HydrophobicContact CE1-CB 3.62Å; Y222-K233 HydrophobicContact CE1-CD 4.19Å; Y222-K233 HydrophobicContact CE1-CG 3.81Å
223S98.6Very high97.9Very high8 Ų849.2 Ų49.26%0.05628%0.275CS..EExtended strand (participates in β ladder)trans-129.3143.5169.962.70000110.8I206 W231 E232I206-S223 CarbonylContact O-C 3.57Å; I206-S223 WeakPolarHBondContact O-CA 3.41Å; S223-W231 CarbonylContact O-C 3.39Å; S223-W231 WeakPolarHBondContact O-CA 3.42Å; S223-E232 PolarHBondContact N-O 3.06Å; S223-E232 PolarHBondContact O-N 2.86Å
224L98.8Very high97.9Very high0 Ų048.9 Ų48.90%027%0.27CS..EExtended strand (participates in β ladder)trans-112.1125.4166.8174.272.7000108.3Y154 L171 T186 K205 I206 M229 K230 W231Y154-L224 HydrophobicContact CD1-CD2 4.24Å; L171-L224 HydrophobicContact CD1-CD2 4.33Å; L171-L224 HydrophobicContact CD2-CD2 3.37Å; T186-L224 HydrophobicContact CG2-CD1 4.46Å; K205-L224 CarbonylContact C-O 3.57Å; K205-L224 VanDerWaalsContact CA-O 3.27Å; K205-L224 WeakPolarHBondContact CA-O 3.43Å; I206-L224 HydrophobicContact CB-CB 4.21Å; I206-L224 HydrophobicContact CG1-CD2 4.42Å; I206-L224 PolarHBondContact N-O 3.06Å; I206-L224 PolarHBondContact O-N 3.31Å; L224-M229 VanDerWaalsContact CD1-C 3.5Å; L224-M229 HydrophobicContact CD2-SD 4.47Å; L224-K230 WeakPolarHBondContact CA-O 3.02Å; L224-W231 HydrophobicContact CB-CD2 3.86Å; L224-W231 HydrophobicContact CB-CE3 3.66Å; L224-W231 HydrophobicContact CB-CH2 3.75Å; L224-W231 HydrophobicContact CB-CZ2 3.98Å; L224-W231 HydrophobicContact CB-CZ3 3.6Å; L224-W231 HydrophobicContact CD1-CD2 3.93Å; L224-W231 HydrophobicContact CD1-CG 4.01Å; L224-W231 HydrophobicContact CD1-CZ2 4.35Å; L224-W231 HydrophobicContact CD2-CH2 4.3Å; L224-W231 HydrophobicContact CD2-CZ2 3.95Å; L224-W231 HydrophobicContact CG-CD2 4.42Å; L224-W231 HydrophobicContact CG-CZ2 4.33Å
225D98.4Very high98Very high41 Ų4155.1 Ų55.122%0.21929%0.29CS..EExtended strand (participates in β ladder)trans-76.9118.2165-169.1-65.5000109.6G227 I228 M229 K230D225-G227 VanDerWaalsContact C-N 3.29Å; D225-G227 PolarHBondContact O-N 3.15Å; D225-G227 WeakPolarHBondContact OD1-CA 3.26Å; D225-G227 PolarHBondContact OD1-N 2.91Å; D225-I228 HydrophobicContact CB-CD1 4.4Å; D225-I228 HydrophobicContact CB-CG1 3.75Å; D225-I228 PolarHBondContact OD1-N 2.95Å; D225-M229 WeakPolarHBondContact O-CA 3.24Å; D225-M229 PolarHBondContact O-N 2.98Å; D225-K230 PolarHBondContact N-O 2.9Å; D225-K230 VanDerWaalsContact N-O 3.08Å; D225-K230 PolarHBondContact O-N 3.17Å
226S97.4Very high98.1Very high19 Ų1948.8 Ų48.813%0.13326%0.258CS..THydrogen-bonded Turntrans-76.3-16.1-174.772.40000113.8S204 M229S204-S226 WeakPolarHBondContact O-CB 3.26Å; S204-S226 PolarHBondContact O-N 2.72Å; S204-S226 PolarHBondContact O-OG 3.02Å; S226-M229 VanDerWaalsContact O-CE 3.27Å; S226-M229 WeakPolarHBondContact O-CE 3.19Å
227G97.1Very high98.1Very high67 Ų6748.9 Ų48.969%0.69126%0.259SS*.THydrogen-bonded Turntrans-80.4-39.1177.800000112.5D225D225-G227 VanDerWaalsContact C-N 3.29Å; D225-G227 PolarHBondContact O-N 3.15Å; D225-G227 WeakPolarHBondContact OD1-CA 3.26Å; D225-G227 PolarHBondContact OD1-N 2.91Å
228I97.7Very high98.1Very high111 Ų11148.8 Ų48.857%0.56927%0.268SS*.THydrogen-bonded Turntrans-110.40.4-179.165.3166.3000114.2D225 K230D225-I228 HydrophobicContact CB-CD1 4.4Å; D225-I228 HydrophobicContact CB-CG1 3.75Å; D225-I228 PolarHBondContact OD1-N 2.95Å; I228-K230 VanDerWaalsContact C-N 3.3Å; I228-K230 HydrophobicContact CD1-CB 3.77Å; I228-K230 HydrophobicContact CD1-CD 4.06Å; I228-K230 HydrophobicContact CG1-CB 3.87Å; I228-K230 PolarHBondContact O-N 2.85Å
229M98.1Very high98.1Very high37 Ų3751.9 Ų51.918%0.18229%0.286CS..THydrogen-bonded Turntrans52.742.2179.8-61.6-63.7178.800113.9Y154 L171 P184 E185 T186 Q187 L224 D225 S226Y154-M229 HydrophobicContact CE1-CE 4.15Å; Y154-M229 HydrophobicContact CE1-SD 4.45Å; L171-M229 HydrophobicContact CD2-SD 4.18Å; P184-M229 HydrophobicContact CB-CE 4.11Å; P184-M229 HydrophobicContact CB-CG 4.03Å; P184-M229 HydrophobicContact CB-SD 4.13Å; P184-M229 HydrophobicContact CG-CE 4.08Å; P184-M229 HydrophobicContact CG-SD 4.02Å; E185-M229 WeakPolarHBondContact O-CB 3.35Å; T186-M229 CarbonylContact C-O 3.57Å; T186-M229 WeakPolarHBondContact CA-O 3.06Å; T186-M229 HydrophobicContact CG2-CB 4.38Å; Q187-M229 PolarHBondContact N-O 3.17Å; L224-M229 VanDerWaalsContact CD1-C 3.5Å; L224-M229 HydrophobicContact CD2-SD 4.47Å; D225-M229 WeakPolarHBondContact O-CA 3.24Å; D225-M229 PolarHBondContact O-N 2.98Å; S226-M229 VanDerWaalsContact O-CE 3.27Å; S226-M229 WeakPolarHBondContact O-CE 3.19Å
230K98.4Very high98.1Very high73 Ų7353.3 Ų53.332%0.31729%0.288SS..EExtended strand (participates in β ladder)trans-111.8122.5-177.8-170.3-172.7177.3-1490111.9Q187 L224 D225 I228 E232Q187-K230 HydrophobicContact CB-CG 4.36Å; L224-K230 WeakPolarHBondContact CA-O 3.02Å; D225-K230 PolarHBondContact N-O 2.9Å; D225-K230 VanDerWaalsContact N-O 3.08Å; D225-K230 PolarHBondContact O-N 3.17Å; I228-K230 VanDerWaalsContact C-N 3.3Å; I228-K230 HydrophobicContact CD1-CB 3.77Å; I228-K230 HydrophobicContact CD1-CD 4.06Å; I228-K230 HydrophobicContact CG1-CB 3.87Å; I228-K230 PolarHBondContact O-N 2.85Å; K230-E232 IonicContact NZ-OE1 3.97Å; K230-E232 PolarHBondContact NZ-OE1 3.39Å
231W98.6Very high98Very high2 Ų252.2 Ų52.21%0.00828%0.282CS..EExtended strand (participates in β ladder)trans-82.2137.5172.8-72105.5000112.1F156 L171 Q187 G188 R189 Q190 P191 I208 S223 L224F156-W231 HydrophobicContact CB-CZ2 4.36Å; F156-W231 AromaticContact CD2-CZ2 3.93Å; F156-W231 HydrophobicContact CD2-CZ2 3.93Å; F156-W231 HydrophobicContact CE2-CZ2 4.35Å; F156-W231 HydrophobicContact CG-CH2 4.35Å; F156-W231 HydrophobicContact CG-CZ2 4.01Å; L171-W231 HydrophobicContact CD1-CZ2 4.41Å; Q187-W231 PolarHBondContact O-N 3.46Å; G188-W231 WeakPolarHBondContact CA-O 3.35Å; R189-W231 PolarHBondContact N-O 2.76Å; R189-W231 WeakPolarHBondContact O-CB 3.46Å; Q190-W231 HydrophobicContact CB-CB 4.23Å; Q190-W231 HydrophobicContact CB-CD2 4.24Å; Q190-W231 HydrophobicContact CB-CG 3.79Å; P191-W231 HydrophobicContact CG-CZ3 4.39Å; I208-W231 HydrophobicContact CD1-CH2 3.49Å; I208-W231 VanDerWaalsContact CD1-CH2 3.49Å; I208-W231 HydrophobicContact CD1-CZ2 4.49Å; I208-W231 HydrophobicContact CD1-CZ3 3.83Å; I208-W231 HydrophobicContact CG1-CH2 4.27Å; I208-W231 HydrophobicContact CG1-CZ3 4.31Å; S223-W231 CarbonylContact O-C 3.39Å; S223-W231 WeakPolarHBondContact O-CA 3.42Å; L224-W231 HydrophobicContact CB-CD2 3.86Å; L224-W231 HydrophobicContact CB-CE3 3.66Å; L224-W231 HydrophobicContact CB-CH2 3.75Å; L224-W231 HydrophobicContact CB-CZ2 3.98Å; L224-W231 HydrophobicContact CB-CZ3 3.6Å; L224-W231 HydrophobicContact CD1-CD2 3.93Å; L224-W231 HydrophobicContact CD1-CG 4.01Å; L224-W231 HydrophobicContact CD1-CZ2 4.35Å; L224-W231 HydrophobicContact CD2-CH2 4.3Å; L224-W231 HydrophobicContact CD2-CZ2 3.95Å; L224-W231 HydrophobicContact CG-CD2 4.42Å; L224-W231 HydrophobicContact CG-CZ2 4.33Å
232E98.3Very high98Very high88 Ų8855.3 Ų55.341%0.41130%0.303SS..EExtended strand (participates in β ladder)trans-135.6139.5173.9-62.5-171.3156.100110.2Y222 S223 K230 V234Y222-E232 CarbonylContact C-O 3.6Å; Y222-E232 WeakPolarHBondContact CA-O 3.37Å; S223-E232 PolarHBondContact N-O 3.06Å; S223-E232 PolarHBondContact O-N 2.86Å; K230-E232 IonicContact NZ-OE1 3.97Å; K230-E232 PolarHBondContact NZ-OE1 3.39Å; E232-V234 PolarHBondContact O-N 2.93Å
233K98.4Very high98Very high92 Ų9255.7 Ų55.740%0.431%0.309SS..EExtended strand (participates in β ladder)trans-77.9118167.9-172.4173-176.5169.20108.2D220 Y222 Q235D220-K233 IonicContact OD2-NZ 2.77Å; Y222-K233 HydrophobicContact CD1-CB 3.93Å; Y222-K233 HydrophobicContact CD1-CG 4.28Å; Y222-K233 HydrophobicContact CE1-CB 3.62Å; Y222-K233 HydrophobicContact CE1-CD 4.19Å; Y222-K233 HydrophobicContact CE1-CG 3.81Å; K233-Q235 PolarHBondContact O-N 3.23Å
234V98.3Very high98Very high19 Ų1955.6 Ų55.612%0.11531%0.308CS..  trans-70.6128.8179.4179.90000108.7Y207 M221 E232 S236 F274Y207-V234 HydrophobicContact CD1-CG2 4.44Å; Y207-V234 HydrophobicContact CE1-CG2 4.34Å; M221-V234 HydrophobicContact CB-CB 4.01Å; M221-V234 HydrophobicContact CB-CG2 4.47Å; M221-V234 HydrophobicContact CG-CB 3.9Å; M221-V234 HydrophobicContact CG-CG1 4.24Å; M221-V234 HydrophobicContact CG-CG2 3.94Å; M221-V234 WeakPolarHBondContact O-CB 3.31Å; M221-V234 PolarHBondContact O-N 3.09Å; E232-V234 PolarHBondContact O-N 2.93Å; V234-S236 VanDerWaalsContact C-N 3.26Å; V234-S236 PolarHBondContact O-N 3.27Å; V234-F274 HydrophobicContact CG1-CE2 4.24Å; V234-F274 HydrophobicContact CG1-CZ 3.62Å
235Q97.1Very high98Very high164 Ų16455.7 Ų55.777%0.76631%0.309SS*.  trans-81.475.9171.8-64-175.215.900110K233K233-Q235 PolarHBondContact O-N 3.23Å
236S96.4Very high97.9Very high26 Ų2654 Ų5418%0.18230%0.301CS..  trans-66.8143.3-178.4-57.60000112.5M221 V234 S279M221-S236 WeakPolarHBondContact CB-OG 3.17Å; V234-S236 VanDerWaalsContact C-N 3.26Å; V234-S236 PolarHBondContact O-N 3.27Å; S236-S279 WeakPolarHBondContact CA-O 3.48Å
237K97.4Very high98Very high133 Ų13353.1 Ų53.158%0.57830%0.295SS*.EExtended strand (participates in β ladder)trans-128.5169.6177.1-60.7177.3-175.4174.30110.9S279 R280 W281K237-S279 PolarHBondContact N-O 2.97Å; K237-R280 CarbonylContact O-C 3.52Å; K237-R280 WeakPolarHBondContact O-CA 3.14Å; K237-W281 PolarHBondContact O-N 2.7Å
238G98.3Very high98Very high35 Ų3550 Ų5036%0.36126%0.263SS..EExtended strand (participates in β ladder)trans88.7-144.8175.700000112.5I240G238-I240 VanDerWaalsContact C-N 3.26Å; G238-I240 PolarHBondContact O-N 2.95Å
239D98.4Very high98Very high82 Ų8245.9 Ų45.944%0.43925%0.245SC..SBendtrans-81.772.8-175.7-49.2-42.8000109.6P241 Y272 W281 T282 L283D239-P241 WeakPolarHBondContact O-CD 3.42Å; D239-Y272 VanDerWaalsContact O-CD1 3.28Å; D239-Y272 WeakPolarHBondContact O-CD1 3.44Å; D239-Y272 WeakPolarHBondContact O-CE1 3.22Å; D239-W281 PolarHBondContact N-O 2.84Å; D239-W281 VanDerWaalsContact N-O 3.14Å; D239-W281 WeakPolarHBondContact O-CB 3.39Å; D239-T282 WeakPolarHBondContact OD2-CA 3.37Å; D239-L283 HydrophobicContact CB-CB 3.84Å; D239-L283 PolarHBondContact OD2-N 3.03Å
240I98.2Very high98.1Very high84 Ų8444.4 Ų44.443%0.43124%0.238SC..PPolyproline II helixtrans-64.4125.5-175.9-57.4174.3000109.1G238G238-I240 VanDerWaalsContact C-N 3.26Å; G238-I240 PolarHBondContact O-N 2.95Å
241P97.8Very high98.1Very high4 Ų443 Ų433%0.02624%0.235CC..PPolyproline II helixtrans-58.5150.9176.5-19.328.2000112S219 D239 I258 Y272 W281S219-P241 WeakPolarHBondContact CB-O 3.07Å; D239-P241 WeakPolarHBondContact O-CD 3.42Å; P241-I258 HydrophobicContact CB-CD1 4.14Å; P241-I258 HydrophobicContact CG-CD1 3.7Å; P241-Y272 HydrophobicContact CB-CD1 4.29Å; P241-Y272 HydrophobicContact CB-CD2 4.12Å; P241-Y272 HydrophobicContact CB-CE1 4.26Å; P241-Y272 HydrophobicContact CB-CE2 4.1Å; P241-Y272 HydrophobicContact CB-CG 4.23Å; P241-Y272 HydrophobicContact CG-CD1 3.74Å; P241-Y272 HydrophobicContact CG-CD2 4.03Å; P241-Y272 HydrophobicContact CG-CE1 4.16Å; P241-Y272 HydrophobicContact CG-CE2 4.44Å; P241-Y272 HydrophobicContact CG-CG 3.67Å; P241-W281 HydrophobicContact CG-CD2 3.95Å; P241-W281 HydrophobicContact CG-CE3 3.89Å; P241-W281 HydrophobicContact CG-CG 4.5Å; P241-W281 HydrophobicContact CG-CH2 4.39Å; P241-W281 HydrophobicContact CG-CZ2 4.46Å; P241-W281 HydrophobicContact CG-CZ3 4.1Å
242P97.6Very high98Very high69 Ų6944.7 Ų44.745%0.44824%0.243SC..PPolyproline II helixtrans-63.7172.8168.331-36000111V244 T263P242-V244 PolarHBondContact O-N 3.32Å; P242-T263 HydrophobicContact CG-CG2 4.17Å
243G98.5Very high98Very high16 Ų1643 Ų4317%0.16525%0.249CC..SBendtrans-60.4124.2173.600000110.6F218F218-G243 VanDerWaalsContact O-CA 3.23Å; F218-G243 WeakPolarHBondContact O-CA 3.46Å
244V98.6Very high98Very high5 Ų539.5 Ų39.53%0.0324%0.238CC..  trans-144.7136.9-170.462.20000112G210 G211 F218 P242 H247 L262 T263G210-V244 CarbonylContact C-O 3.6Å; G210-V244 WeakPolarHBondContact CA-O 3.34Å; G211-V244 PolarHBondContact N-O 3.02Å; F218-V244 PolarHBondContact O-N 3.06Å; F218-V244 VanDerWaalsContact O-N 3.12Å; P242-V244 PolarHBondContact O-N 3.32Å; V244-H247 HydrophobicContact CG2-CB 4.02Å; V244-H247 PolarHBondContact O-CE1 2.91Å; V244-H247 PolarHBondContact O-ND1 3.14Å; V244-L262 CarbonylContact C-O 3.52Å; V244-L262 VanDerWaalsContact CA-O 3.32Å; V244-L262 WeakPolarHBondContact CA-O 3.24Å; V244-T263 HydrophobicContact CB-CG2 4.23Å; V244-T263 HydrophobicContact CG2-CG2 4.23Å
245A98.2Very high98Very high2 Ų239.4 Ų39.42%0.01724%0.236CC..BIsolated β-bridgetrans-126.216917400000110.8G196 M212 F217 H247 G261 L262G196-A245 CarbonylContact O-C 3.46Å; G196-A245 VanDerWaalsContact O-CA 3.25Å; G196-A245 WeakPolarHBondContact O-CA 3.4Å; M212-A245 HydrophobicContact CB-CB 3.97Å; M212-A245 HydrophobicContact CG-CB 3.72Å; M212-A245 HydrophobicContact SD-CB 3.82Å; F217-A245 HydrophobicContact CD1-CB 3.98Å; F217-A245 HydrophobicContact CE1-CB 3.9Å; A245-H247 PolarHBondContact O-N 2.81Å; A245-G261 CarbonylContact O-C 3.6Å; A245-G261 VanDerWaalsContact O-CA 3.27Å; A245-G261 WeakPolarHBondContact O-CA 3.45Å; A245-L262 PolarHBondContact N-O 3.28Å; A245-L262 PolarHBondContact O-N 2.96Å
246A97.6Very high98.1Very high6 Ų631.7 Ų31.75%0.0520%0.2CC..SBendtrans52.728.3178.500000114G196 L295 D296G196-A246 PolarHBondContact O-N 2.85Å; A246-L295 HydrophobicContact CB-CB 4.02Å; A246-L295 HydrophobicContact CB-CD1 4.28Å; A246-D296 WeakPolarHBondContact CB-OD1 3.38Å; A246-D296 PolarHBondContact O-N 2.99Å; A246-D296 VanDerWaalsContact O-N 3.09Å
247H98.3Very high98.2Very high1 Ų130.6 Ų30.61%0.00519%0.192CC..  trans-94.5157.4172.160.7-72.2000109.1V198 H209 V244 A245 G260V198-H247 WeakPolarHBondContact CG2-CD2 3.16Å; V198-H247 WeakPolarHBondContact CG2-NE2 3.41Å; V198-H247 WeakPolarHBondContact CG2-O 3.42Å; H209-H247 AromaticContact ND1-CE1 3.84Å; H209-H247 AromaticContact ND1-NE2 3.15Å; H209-H247 PolarHBondContact ND1-NE2 3.03Å; H209-H247 VanDerWaalsContact ND1-NE2 3.15Å; V244-H247 HydrophobicContact CG2-CB 4.02Å; V244-H247 PolarHBondContact O-CE1 2.91Å; V244-H247 PolarHBondContact O-ND1 3.14Å; A245-H247 PolarHBondContact O-N 2.81Å; H247-G260 WeakPolarHBondContact CB-O 3.45Å
248S98.1Very high98.2Very high2 Ų224.6 Ų24.61%0.01417%0.166CC..EExtended strand (participates in β ladder)trans-118.1163.3-179.7-71.50000110.9T144 I258 F259 H297T144-S248 PolarHBondContact OG1-OG 2.81Å; S248-I258 WeakPolarHBondContact O-CA 3.37Å; S248-F259 PolarHBondContact N-O 2.91Å; S248-F259 PolarHBondContact O-N 3.12Å; S248-H297 PolarHBondContact OG-O 3.12Å
249A98.3Very high98.3Very high24 Ų2423 Ų2320%0.19815%0.149CC..EExtended strand (participates in β ladder)trans-143.1155-175.200000113.5V198 I256 Y257 I258V198-A249 HydrophobicContact CB-CB 4.26Å; V198-A249 HydrophobicContact CG1-CB 3.45Å; V198-A249 VanDerWaalsContact CG1-CB 3.45Å; V198-A249 HydrophobicContact CG2-CB 3.79Å; A249-I256 HydrophobicContact CB-CG2 4.29Å; A249-Y257 CarbonylContact C-O 3.59Å; A249-Y257 WeakPolarHBondContact CA-O 3.14Å; A249-Y257 VanDerWaalsContact CB-O 3.27Å; A249-Y257 WeakPolarHBondContact CB-O 3.21Å; A249-I258 HydrophobicContact CB-CG2 4.09Å
250V98.3Very high98.3Very high6 Ų619.3 Ų19.34%0.03613%0.131CC..EExtended strand (participates in β ladder)trans-129.6148.9166.4-610000110Y257 M299 A328V250-Y257 HydrophobicContact CG2-CD2 4.43Å; V250-Y257 PolarHBondContact N-O 3.2Å; V250-Y257 PolarHBondContact O-N 3.21Å; V250-M299 HydrophobicContact CG1-CB 3.65Å; V250-M299 HydrophobicContact CG1-CE 4.13Å; V250-M299 HydrophobicContact CG2-CE 4.31Å; V250-A328 HydrophobicContact CG2-CB 3.66Å
251V98.4Very high98.3Very high42 Ų4215.3 Ų15.326%0.25511%0.111SC..EExtended strand (participates in β ladder)trans-107.8132.7176176.30000109A200 V202 N255 I256A200-V251 HydrophobicContact CB-CG2 3.82Å; V202-V251 HydrophobicContact CG2-CG1 3.77Å; V202-V251 HydrophobicContact CG2-CG2 4.17Å; V251-N255 WeakPolarHBondContact CA-O 3.48Å; V251-I256 HydrophobicContact CG2-CG1 4.25Å
252Q97.9Very high98.3Very high39 Ų3917.2 Ų17.218%0.18212%0.12CC..EExtended strand (participates in β ladder)trans-139.6117.6170.1174.755.931.600109.1A254 N255 Y257 L301 N326 V349 K350Q252-A254 PolarHBondContact O-N 3.07Å; Q252-N255 PolarHBondContact N-O 3.3Å; Q252-N255 WeakPolarHBondContact O-CB 3.27Å; Q252-N255 PolarHBondContact O-N 3.36Å; Q252-Y257 HydrophobicContact CB-CE2 4.19Å; Q252-L301 HydrophobicContact CB-CD1 3.99Å; Q252-L301 VanDerWaalsContact OE1-CD2 3.27Å; Q252-N326 HydrophobicContact CG-CB 4.34Å; Q252-N326 PolarHBondContact NE2-ND2 2.85Å; Q252-N326 PolarHBondContact OE1-ND2 2.89Å; Q252-V349 HydrophobicContact CB-CG2 4.12Å; Q252-V349 HydrophobicContact CG-CG2 4.41Å; Q252-K350 VanDerWaalsContact CG-C 3.43Å; Q252-K350 WeakPolarHBondContact CG-OXT 3.32Å
253G97.2Very high98.3Very high52 Ų5214.3 Ų14.354%0.53610%0.101SC..THydrogen-bonded Turntrans55.4-126.3-174.900000112V202 N255V202-G253 WeakPolarHBondContact CG1-O 3.31Å; G253-N255 VanDerWaalsContact C-N 3.28Å; G253-N255 PolarHBondContact O-N 3.08Å
254A98.1Very high98.2Very high19 Ų1918.6 Ų18.616%0.15712%0.124CC..THydrogen-bonded Turntrans-86.39.2176.900000113.9Q252 T276 E277Q252-A254 PolarHBondContact O-N 3.07Å; A254-T276 PolarHBondContact O-N 2.7Å; A254-T276 PolarHBondContact O-OG1 2.79Å; A254-E277 HydrophobicContact CB-CG 3.93Å
255N98.7Very high98Very high16 Ų1625.7 Ų25.79%0.08616%0.162CC..EExtended strand (participates in β ladder)trans-112.7134.4-172.9-60.1-58.9000111.4V251 Q252 G253 Y257 R273 F274 N275 K350V251-N255 WeakPolarHBondContact CA-O 3.48Å; Q252-N255 PolarHBondContact N-O 3.3Å; Q252-N255 WeakPolarHBondContact O-CB 3.27Å; Q252-N255 PolarHBondContact O-N 3.36Å; G253-N255 VanDerWaalsContact C-N 3.28Å; G253-N255 PolarHBondContact O-N 3.08Å; N255-Y257 HydrophobicContact CB-CD2 4.17Å; N255-Y257 HydrophobicContact CB-CE2 3.44Å; N255-Y257 VanDerWaalsContact CB-CE2 3.44Å; N255-R273 HydrophobicContact CB-CG 3.89Å; N255-F274 CarbonylContact C-O 3.57Å; N255-F274 WeakPolarHBondContact CA-O 3.26Å; N255-N275 WeakPolarHBondContact OD1-CB 3.2Å; N255-N275 PolarHBondContact OD1-ND2 2.97Å; N255-K350 PolarHBondContact ND2-O 3.07Å
256I98.8Very high98Very high3 Ų326.3 Ų26.32%0.01517%0.169CC..EExtended strand (participates in β ladder)trans-107120.5168-54.8171.4000106.7A200 V202 Y207 M221 A249 V251 I258 R273 F274 T276A200-I256 HydrophobicContact CB-CG2 4.48Å; V202-I256 HydrophobicContact CG2-CD1 3.75Å; V202-I256 HydrophobicContact CG2-CG1 3.56Å; Y207-I256 HydrophobicContact CD1-CD1 4.42Å; Y207-I256 HydrophobicContact CD2-CD1 3.87Å; Y207-I256 HydrophobicContact CG-CD1 3.71Å; M221-I256 HydrophobicContact CE-CD1 3.69Å; A249-I256 HydrophobicContact CB-CG2 4.29Å; V251-I256 HydrophobicContact CG2-CG1 4.25Å; I256-I258 HydrophobicContact CG2-CG2 4.45Å; I256-R273 CarbonylContact O-C 3.54Å; I256-R273 WeakPolarHBondContact O-CA 3.18Å; I256-F274 HydrophobicContact CB-CB 4.4Å; I256-F274 HydrophobicContact CD1-CD1 4.33Å; I256-F274 PolarHBondContact N-O 3.17Å; I256-F274 PolarHBondContact O-N 3.09Å; I256-T276 HydrophobicContact CD1-CG2 4.02Å; I256-T276 HydrophobicContact CG1-CG2 4.21Å
257Y98.8Very high98Very high3 Ų326.5 Ų26.51%0.01217%0.171CC..EExtended strand (participates in β ladder)trans-102.9125.4176.1-64.3-95000108.7A249 V250 Q252 N255 M271 Y272 R273 M284 V349 K350A249-Y257 CarbonylContact C-O 3.59Å; A249-Y257 WeakPolarHBondContact CA-O 3.14Å; A249-Y257 VanDerWaalsContact CB-O 3.27Å; A249-Y257 WeakPolarHBondContact CB-O 3.21Å; V250-Y257 HydrophobicContact CG2-CD2 4.43Å; V250-Y257 PolarHBondContact N-O 3.2Å; V250-Y257 PolarHBondContact O-N 3.21Å; Q252-Y257 HydrophobicContact CB-CE2 4.19Å; N255-Y257 HydrophobicContact CB-CD2 4.17Å; N255-Y257 HydrophobicContact CB-CE2 3.44Å; N255-Y257 VanDerWaalsContact CB-CE2 3.44Å; Y257-M271 HydrophobicContact CD1-CE 3.8Å; Y257-M271 HydrophobicContact CG-CE 4Å; Y257-Y272 CarbonylContact C-O 3.54Å; Y257-Y272 WeakPolarHBondContact CA-O 3.28Å; Y257-R273 HydrophobicContact CD1-CB 3.77Å; Y257-R273 HydrophobicContact CD1-CG 3.84Å; Y257-R273 HydrophobicContact CE1-CB 3.7Å; Y257-R273 VanDerWaalsContact CE1-CD 3.47Å; Y257-R273 HydrophobicContact CE1-CG 3.46Å; Y257-R273 VanDerWaalsContact CE1-CG 3.46Å; Y257-R273 HydrophobicContact CE2-CG 4.25Å; Y257-R273 HydrophobicContact CG-CG 4.4Å; Y257-R273 VanDerWaalsContact CZ-CD 3.47Å; Y257-R273 VanDerWaalsContact OH-CD 3.27Å; Y257-R273 WeakPolarHBondContact OH-CD 3.17Å; Y257-M284 HydrophobicContact CE1-CE 4.28Å; Y257-M284 HydrophobicContact CE1-SD 4.39Å; Y257-V349 HydrophobicContact CD1-CG1 3.86Å; Y257-V349 HydrophobicContact CD2-CB 4.03Å; Y257-V349 HydrophobicContact CD2-CG1 3.95Å; Y257-V349 HydrophobicContact CE1-CB 4.23Å; Y257-V349 HydrophobicContact CE1-CG1 3.93Å; Y257-V349 HydrophobicContact CE2-CB 3.72Å; Y257-V349 HydrophobicContact CE2-CG1 4.05Å; Y257-V349 HydrophobicContact CG-CB 4.43Å; Y257-V349 HydrophobicContact CG-CG1 3.86Å; Y257-K350 PolarHBondContact OH-N 2.98Å; Y257-K350 VanDerWaalsContact OH-N 3.13Å; Y257-K350 PolarHBondContact OH-O 3.37Å
258I98.8Very high98Very high6 Ų628.1 Ų28.13%0.03118%0.18CC..EExtended strand (participates in β ladder)trans-110.1146.7172.667.3174.8000109.9P241 S248 A249 I256 M271 Y272 W281P241-I258 HydrophobicContact CB-CD1 4.14Å; P241-I258 HydrophobicContact CG-CD1 3.7Å; S248-I258 WeakPolarHBondContact O-CA 3.37Å; A249-I258 HydrophobicContact CB-CG2 4.09Å; I256-I258 HydrophobicContact CG2-CG2 4.45Å; I258-M271 CarbonylContact O-C 3.52Å; I258-M271 VanDerWaalsContact O-CA 3.26Å; I258-M271 WeakPolarHBondContact O-CA 3.31Å; I258-M271 VanDerWaalsContact O-CG 3.26Å; I258-M271 WeakPolarHBondContact O-CG 3.44Å; I258-Y272 HydrophobicContact CD1-CD2 4.46Å; I258-Y272 HydrophobicContact CG1-CD2 4.44Å; I258-Y272 PolarHBondContact N-O 3.26Å; I258-Y272 PolarHBondContact O-N 3.45Å; I258-W281 HydrophobicContact CD1-CH2 3.85Å; I258-W281 HydrophobicContact CD1-CZ3 3.78Å; I258-W281 HydrophobicContact CG1-CH2 4.28Å; I258-W281 HydrophobicContact CG1-CZ3 3.89Å; I258-W281 HydrophobicContact CG2-CH2 4.12Å; I258-W281 HydrophobicContact CG2-CZ3 4.36Å
259F98.7Very high98Very high1 Ų129.7 Ų29.70%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-142.6144178.4174.5-112.8000111.8W18 S248 N269 M271 P291 R294 H297 M299 I345W18-F259 HydrophobicContact CH2-CD1 4.21Å; W18-F259 HydrophobicContact CH2-CD2 4.32Å; W18-F259 HydrophobicContact CH2-CE1 4.23Å; W18-F259 HydrophobicContact CH2-CE2 4.31Å; W18-F259 HydrophobicContact CH2-CG 4.27Å; W18-F259 HydrophobicContact CH2-CZ 4.29Å; W18-F259 HydrophobicContact CZ2-CD1 4.44Å; W18-F259 AromaticContact CZ2-CD2 3.75Å; W18-F259 HydrophobicContact CZ2-CD2 3.75Å; W18-F259 HydrophobicContact CZ2-CE1 4.43Å; W18-F259 AromaticContact CZ2-CE2 3.7Å; W18-F259 HydrophobicContact CZ2-CE2 3.7Å; W18-F259 HydrophobicContact CZ2-CG 4.13Å; W18-F259 HydrophobicContact CZ2-CZ 4.08Å; S248-F259 PolarHBondContact N-O 2.91Å; S248-F259 PolarHBondContact O-N 3.12Å; F259-N269 HydrophobicContact CE2-CB 4.33Å; F259-N269 WeakPolarHBondContact CE2-O 3.4Å; F259-M271 HydrophobicContact CB-CG 4.2Å; F259-M271 HydrophobicContact CD2-CB 3.97Å; F259-M271 HydrophobicContact CD2-CG 4.44Å; F259-P291 HydrophobicContact CE2-CG 4.44Å; F259-P291 HydrophobicContact CZ-CB 3.99Å; F259-P291 HydrophobicContact CZ-CG 3.89Å; F259-R294 HydrophobicContact CE1-CG 4.09Å; F259-H297 AromaticContact CD1-NE2 3.45Å; F259-H297 WeakPolarHBondContact CD1-NE2 3.35Å; F259-H297 PolarHBondContact O-CE1 2.88Å; F259-H297 PolarHBondContact O-NE2 3.49Å; F259-M299 HydrophobicContact CB-CE 4.07Å; F259-M299 HydrophobicContact CB-SD 3.71Å; F259-M299 HydrophobicContact CD1-SD 4.32Å; F259-I345 HydrophobicContact CE1-CD1 3.92Å; F259-I345 HydrophobicContact CZ-CD1 4.2Å
260G98.4Very high98Very high6 Ų630.5 Ų30.56%0.06219%0.193CC..  trans62.4-148.6175.800000114.1H247 V268 S270H247-G260 WeakPolarHBondContact CB-O 3.45Å; G260-V268 WeakPolarHBondContact CA-O 3.24Å; G260-V268 WeakPolarHBondContact O-CG2 3.27Å; G260-S270 PolarHBondContact N-O 3.09Å
261G98.2Very high98Very high0 Ų030.4 Ų30.40%019%0.192CC..  trans101.6-176.2-178.900000113.9A245 A267 V268 R294A245-G261 CarbonylContact O-C 3.6Å; A245-G261 VanDerWaalsContact O-CA 3.27Å; A245-G261 WeakPolarHBondContact O-CA 3.45Å; G261-A267 CarbonylContact O-C 3.52Å; G261-A267 VanDerWaalsContact O-CA 3.31Å; G261-A267 WeakPolarHBondContact O-CA 3.42Å; G261-V268 PolarHBondContact O-N 2.89Å; G261-R294 PolarHBondContact N-O 2.94Å
262L98.1Very high98Very high43 Ų4330 Ų3023%0.22519%0.186CC..EExtended strand (participates in β ladder)trans-108.1129.3179.4-176.266000110F217 V244 A245 L295 T336F217-L262 WeakPolarHBondContact CD1-O 3.34Å; F217-L262 HydrophobicContact CE1-CB 4.31Å; F217-L262 HydrophobicContact CE1-CD2 4.2Å; F217-L262 HydrophobicContact CE1-CG 4.01Å; F217-L262 VanDerWaalsContact CE1-O 3.24Å; F217-L262 WeakPolarHBondContact CE1-O 3.06Å; F217-L262 HydrophobicContact CZ-CD2 4.06Å; F217-L262 HydrophobicContact CZ-CG 4.1Å; V244-L262 CarbonylContact C-O 3.52Å; V244-L262 VanDerWaalsContact CA-O 3.32Å; V244-L262 WeakPolarHBondContact CA-O 3.24Å; A245-L262 PolarHBondContact N-O 3.28Å; A245-L262 PolarHBondContact O-N 2.96Å; L262-L295 HydrophobicContact CB-CB 4.47Å; L262-L295 HydrophobicContact CB-CD1 4.1Å; L262-L295 HydrophobicContact CD2-CD1 4.4Å; L262-T336 HydrophobicContact CD1-CG2 3.89Å
263T98Very high98Very high8 Ų831.7 Ų31.75%0.04919%0.191CC..EExtended strand (participates in β ladder)trans-114178.7171.271.20000109.8P242 V244 D265 G266 V268P242-T263 HydrophobicContact CG-CG2 4.17Å; V244-T263 HydrophobicContact CB-CG2 4.23Å; V244-T263 HydrophobicContact CG2-CG2 4.23Å; T263-D265 PolarHBondContact O-N 2.77Å; T263-D265 PolarHBondContact OG1-N 3Å; T263-G266 PolarHBondContact N-O 3.26Å; T263-G266 PolarHBondContact O-N 3.11Å; T263-G266 VanDerWaalsContact O-N 3.12Å; T263-G266 PolarHBondContact OG1-O 2.93Å; T263-V268 HydrophobicContact CG2-CG1 3.75Å; T263-V268 HydrophobicContact CG2-CG2 4.09Å
264V96.4Very high98.1Very high106 Ų10629.2 Ų29.264%0.64217%0.165SC*.THydrogen-bonded Turntrans-59.1-25.1171.8-64.30000113.2F217F217-V264 HydrophobicContact CB-CG1 4.49Å; F217-V264 HydrophobicContact CD2-CG1 3.57Å; F217-V264 HydrophobicContact CE2-CG1 4.13Å; F217-V264 HydrophobicContact CG-CG1 4.24Å
265D95.6Very high98.2Very high154 Ų15429.2 Ų29.282%0.82416%0.163SC*.THydrogen-bonded Turntrans-95.11-179-58.5-48.2000112.9T263T263-D265 PolarHBondContact O-N 2.77Å; T263-D265 PolarHBondContact OG1-N 3Å
266G96.9Very high98.1Very high16 Ų1629.2 Ų29.217%0.16516%0.163CC..EExtended strand (participates in β ladder)trans112.6-168.6-178.800000114T263T263-G266 PolarHBondContact N-O 3.26Å; T263-G266 PolarHBondContact O-N 3.11Å; T263-G266 VanDerWaalsContact O-N 3.12Å; T263-G266 PolarHBondContact OG1-O 2.93Å
267A97.8Very high98.1Very high10 Ų1036.7 Ų36.78%0.08320%0.198CC..EExtended strand (participates in β ladder)trans-67.2143179.500000111.1G261 N293 L295 T336G261-A267 CarbonylContact O-C 3.52Å; G261-A267 VanDerWaalsContact O-CA 3.31Å; G261-A267 WeakPolarHBondContact O-CA 3.42Å; A267-N293 HydrophobicContact CB-CB 3.93Å; A267-N293 WeakPolarHBondContact O-CB 3.1Å; A267-N293 PolarHBondContact O-ND2 3.38Å; A267-N293 VanDerWaalsContact O-ND2 3.13Å; A267-L295 HydrophobicContact CB-CD2 3.79Å; A267-T336 HydrophobicContact CB-CG2 3.94Å
268V98.2Very high98Very high34 Ų3443.8 Ų43.821%0.20623%0.229CC..  trans-123.7165.2179.5-62.10000111.4G260 G261 T263 R294G260-V268 WeakPolarHBondContact CA-O 3.24Å; G260-V268 WeakPolarHBondContact O-CG2 3.27Å; G261-V268 PolarHBondContact O-N 2.89Å; T263-V268 HydrophobicContact CG2-CG1 3.75Å; T263-V268 HydrophobicContact CG2-CG2 4.09Å; V268-R294 PolarHBondContact O-N 3.1Å; V268-R294 VanDerWaalsContact O-N 3.1Å
269N97.8Very high98Very high35 Ų3545.4 Ų45.419%0.18724%0.241CC..  trans-128.718.7174.162.4-1.2000112.4F259 L290 P291 N293F259-N269 HydrophobicContact CE2-CB 4.33Å; F259-N269 WeakPolarHBondContact CE2-O 3.4Å; N269-L290 WeakPolarHBondContact ND2-CB 3.36Å; N269-P291 WeakPolarHBondContact CB-O 3.33Å; N269-P291 PolarHBondContact ND2-O 2.85Å; N269-N293 WeakPolarHBondContact CB-OD1 3.5Å; N269-N293 PolarHBondContact N-OD1 2.78Å; N269-N293 VanDerWaalsContact N-OD1 3.11Å; N269-N293 PolarHBondContact ND2-OD1 2.77Å; N269-N293 PolarHBondContact OD1-OD1 2.79Å
270S98.4Very high98Very high42 Ų4251.2 Ų51.229%0.29426%0.263SS..  trans-75.1142.8176.5-61.50000110.6G260G260-S270 PolarHBondContact N-O 3.09Å
271M98.8Very high98Very high3 Ų351 Ų512%0.01526%0.26CS..EExtended strand (participates in β ladder)trans-112.3131.8172.1-166.4175.5-174.500110W18 Y257 I258 F259 M284 F286 A328 T347 V349W18-M271 HydrophobicContact CH2-SD 4.42Å; W18-M271 HydrophobicContact CZ2-SD 3.71Å; Y257-M271 HydrophobicContact CD1-CE 3.8Å; Y257-M271 HydrophobicContact CG-CE 4Å; I258-M271 CarbonylContact O-C 3.52Å; I258-M271 VanDerWaalsContact O-CA 3.26Å; I258-M271 WeakPolarHBondContact O-CA 3.31Å; I258-M271 VanDerWaalsContact O-CG 3.26Å; I258-M271 WeakPolarHBondContact O-CG 3.44Å; F259-M271 HydrophobicContact CB-CG 4.2Å; F259-M271 HydrophobicContact CD2-CB 3.97Å; F259-M271 HydrophobicContact CD2-CG 4.44Å; M271-M284 HydrophobicContact CB-CB 4.24Å; M271-M284 HydrophobicContact CB-CG 4.43Å; M271-M284 HydrophobicContact CG-CG 4.33Å; M271-M284 WeakPolarHBondContact O-CB 3.41Å; M271-M284 PolarHBondContact O-N 3.22Å; M271-F286 HydrophobicContact CB-CE2 3.86Å; M271-F286 HydrophobicContact CB-CZ 4.09Å; M271-F286 HydrophobicContact CG-CZ 4.47Å; M271-F286 HydrophobicContact SD-CE2 4.37Å; M271-F286 HydrophobicContact SD-CZ 3.65Å; M271-A328 HydrophobicContact CE-CB 3.91Å; M271-T347 HydrophobicContact CE-CG2 3.99Å; M271-T347 HydrophobicContact SD-CG2 3.79Å; M271-V349 HydrophobicContact CE-CG1 3.87Å
272Y98.8Very high98Very high35 Ų3552.8 Ų52.814%0.13727%0.271CS..EExtended strand (participates in β ladder)trans-122.3146.3176.7-64.8-104.8000110.2D239 P241 Y257 I258 T282 L283D239-Y272 VanDerWaalsContact O-CD1 3.28Å; D239-Y272 WeakPolarHBondContact O-CD1 3.44Å; D239-Y272 WeakPolarHBondContact O-CE1 3.22Å; P241-Y272 HydrophobicContact CB-CD1 4.29Å; P241-Y272 HydrophobicContact CB-CD2 4.12Å; P241-Y272 HydrophobicContact CB-CE1 4.26Å; P241-Y272 HydrophobicContact CB-CE2 4.1Å; P241-Y272 HydrophobicContact CB-CG 4.23Å; P241-Y272 HydrophobicContact CG-CD1 3.74Å; P241-Y272 HydrophobicContact CG-CD2 4.03Å; P241-Y272 HydrophobicContact CG-CE1 4.16Å; P241-Y272 HydrophobicContact CG-CE2 4.44Å; P241-Y272 HydrophobicContact CG-CG 3.67Å; Y257-Y272 CarbonylContact C-O 3.54Å; Y257-Y272 WeakPolarHBondContact CA-O 3.28Å; I258-Y272 HydrophobicContact CD1-CD2 4.46Å; I258-Y272 HydrophobicContact CG1-CD2 4.44Å; I258-Y272 PolarHBondContact N-O 3.26Å; I258-Y272 PolarHBondContact O-N 3.45Å; Y272-T282 WeakPolarHBondContact CA-O 3.33Å; Y272-L283 HydrophobicContact CD1-CB 4.06Å; Y272-L283 HydrophobicContact CD1-CD1 4.13Å; Y272-L283 HydrophobicContact CD2-CD1 4.37Å; Y272-L283 HydrophobicContact CE1-CB 3.9Å; Y272-L283 HydrophobicContact CE1-CD1 3.79Å; Y272-L283 HydrophobicContact CE1-CG 4.33Å; Y272-L283 HydrophobicContact CE2-CD1 4.04Å; Y272-L283 HydrophobicContact CG-CD1 4.4Å
273R98.8Very high98.1Very high74 Ų7453.9 Ų53.928%0.27928%0.277SS..EExtended strand (participates in β ladder)trans-113.4122173.2-177.1-169.966.8-167.6-7.2110.1N255 I256 Y257 W281 T282 M284N255-R273 HydrophobicContact CB-CG 3.89Å; I256-R273 CarbonylContact O-C 3.54Å; I256-R273 WeakPolarHBondContact O-CA 3.18Å; Y257-R273 HydrophobicContact CD1-CB 3.77Å; Y257-R273 HydrophobicContact CD1-CG 3.84Å; Y257-R273 HydrophobicContact CE1-CB 3.7Å; Y257-R273 VanDerWaalsContact CE1-CD 3.47Å; Y257-R273 HydrophobicContact CE1-CG 3.46Å; Y257-R273 VanDerWaalsContact CE1-CG 3.46Å; Y257-R273 HydrophobicContact CE2-CG 4.25Å; Y257-R273 HydrophobicContact CG-CG 4.4Å; Y257-R273 VanDerWaalsContact CZ-CD 3.47Å; Y257-R273 VanDerWaalsContact OH-CD 3.27Å; Y257-R273 WeakPolarHBondContact OH-CD 3.17Å; R273-W281 CarbonylContact O-C 3.57Å; R273-W281 VanDerWaalsContact O-CA 3.31Å; R273-W281 WeakPolarHBondContact O-CA 3.2Å; R273-T282 PolarHBondContact N-O 3.07Å; R273-T282 PolarHBondContact O-N 3.08Å; R273-M284 HydrophobicContact CB-CG 4.31Å; R273-M284 HydrophobicContact CB-SD 3.78Å
274F98.9Very high98.1Very high0 Ų055.8 Ų55.80%029%0.286CS..EExtended strand (participates in β ladder)trans-96.3118.9166.1-175.4-108000110.4Y207 M221 V234 N255 I256 T276 S279 W281Y207-F274 HydrophobicContact CD1-CE1 4.32Å; Y207-F274 HydrophobicContact CE1-CE1 4.14Å; M221-F274 HydrophobicContact CE-CB 4.42Å; M221-F274 HydrophobicContact CE-CD1 3.34Å; M221-F274 HydrophobicContact CE-CE1 3.56Å; M221-F274 HydrophobicContact CE-CG 3.87Å; M221-F274 HydrophobicContact CE-CZ 4.28Å; M221-F274 HydrophobicContact CG-CE1 4.37Å; M221-F274 HydrophobicContact CG-CE2 4.5Å; M221-F274 HydrophobicContact CG-CZ 4.22Å; V234-F274 HydrophobicContact CG1-CE2 4.24Å; V234-F274 HydrophobicContact CG1-CZ 3.62Å; N255-F274 CarbonylContact C-O 3.57Å; N255-F274 WeakPolarHBondContact CA-O 3.26Å; I256-F274 HydrophobicContact CB-CB 4.4Å; I256-F274 HydrophobicContact CD1-CD1 4.33Å; I256-F274 PolarHBondContact N-O 3.17Å; I256-F274 PolarHBondContact O-N 3.09Å; F274-T276 HydrophobicContact CD1-CG2 3.88Å; F274-T276 HydrophobicContact CE1-CG2 3.91Å; F274-S279 VanDerWaalsContact CE2-C 3.47Å; F274-W281 HydrophobicContact CB-CD2 3.72Å; F274-W281 HydrophobicContact CB-CE3 3.55Å; F274-W281 HydrophobicContact CB-CH2 3.58Å; F274-W281 HydrophobicContact CB-CZ2 3.73Å; F274-W281 HydrophobicContact CB-CZ3 3.49Å; F274-W281 VanDerWaalsContact CB-CZ3 3.49Å; F274-W281 AromaticContact CD2-CD1 3.77Å; F274-W281 AromaticContact CD2-CD2 3.72Å; F274-W281 HydrophobicContact CD2-CD2 3.72Å; F274-W281 AromaticContact CD2-CE2 3.49Å; F274-W281 VanDerWaalsContact CD2-CE2 3.49Å; F274-W281 HydrophobicContact CD2-CE3 4.42Å; F274-W281 AromaticContact CD2-CG 3.87Å; F274-W281 HydrophobicContact CD2-CG 3.87Å; F274-W281 HydrophobicContact CD2-CZ2 4.01Å; F274-W281 AromaticContact CD2-NE1 3.54Å; F274-W281 HydrophobicContact CG-CD2 4.17Å; F274-W281 AromaticContact CG-CE2 3.94Å; F274-W281 HydrophobicContact CG-CE3 4.47Å; F274-W281 HydrophobicContact CG-CH2 4.36Å; F274-W281 HydrophobicContact CG-CZ2 4.03Å
275N98.6Very high98.1Very high19 Ų1959.6 Ų59.610%0.10229%0.294CS..EExtended strand (participates in β ladder)trans-89.4117.8169.1-178.2-88.5000109.5N255 E277 K278 S279 R280N255-N275 WeakPolarHBondContact OD1-CB 3.2Å; N255-N275 PolarHBondContact OD1-ND2 2.97Å; N275-E277 PolarHBondContact OD1-N 2.91Å; N275-K278 HydrophobicContact CB-CB 4.4Å; N275-K278 PolarHBondContact O-N 2.84Å; N275-K278 VanDerWaalsContact OD1-CB 3.27Å; N275-K278 WeakPolarHBondContact OD1-CB 3.36Å; N275-K278 VanDerWaalsContact OD1-CG 3.27Å; N275-K278 WeakPolarHBondContact OD1-CG 3.35Å; N275-K278 PolarHBondContact OD1-N 2.84Å; N275-S279 WeakPolarHBondContact O-CA 3.31Å; N275-S279 PolarHBondContact O-N 2.89Å; N275-R280 PolarHBondContact N-O 3.11Å; N275-R280 PolarHBondContact O-N 3.05Å
276T98.3Very high98.2Very high16 Ų1654.1 Ų54.110%0.09826%0.262CS..THydrogen-bonded Turntrans-70.2-36.4-172.5590000112.9V202 Y207 A254 I256 F274 S279V202-T276 HydrophobicContact CB-CG2 4.19Å; V202-T276 HydrophobicContact CG1-CG2 4.06Å; V202-T276 HydrophobicContact CG2-CG2 4.01Å; Y207-T276 HydrophobicContact CD2-CG2 4.29Å; Y207-T276 HydrophobicContact CE1-CG2 4.11Å; Y207-T276 HydrophobicContact CE2-CG2 3.75Å; A254-T276 PolarHBondContact O-N 2.7Å; A254-T276 PolarHBondContact O-OG1 2.79Å; I256-T276 HydrophobicContact CD1-CG2 4.02Å; I256-T276 HydrophobicContact CG1-CG2 4.21Å; F274-T276 HydrophobicContact CD1-CG2 3.88Å; F274-T276 HydrophobicContact CE1-CG2 3.91Å; T276-S279 PolarHBondContact O-N 3.02Å
277E97.3Very high98.1Very high159 Ų15960.3 Ų60.374%0.74329%0.287SS*.THydrogen-bonded Turntrans-66.1-39.5178-65173.4169.100112.1A254 N275A254-E277 HydrophobicContact CB-CG 3.93Å; N275-E277 PolarHBondContact OD1-N 2.91Å
278K97.8Very high97.8Very high153 Ų15363.1 Ų63.167%0.66532%0.317SS*.THydrogen-bonded Turntrans-91.7-9.4-179.3-64.3172.6-175.7173.50113.3N275 R280N275-K278 HydrophobicContact CB-CB 4.4Å; N275-K278 PolarHBondContact O-N 2.84Å; N275-K278 VanDerWaalsContact OD1-CB 3.27Å; N275-K278 WeakPolarHBondContact OD1-CB 3.36Å; N275-K278 VanDerWaalsContact OD1-CG 3.27Å; N275-K278 WeakPolarHBondContact OD1-CG 3.35Å; N275-K278 PolarHBondContact OD1-N 2.84Å; K278-R280 HydrophobicContact CB-CB 4.13Å; K278-R280 PolarHBondContact O-N 2.99Å
279S98.1Very high97.5Very high39 Ų3965.3 Ų65.327%0.27333%0.328SS..THydrogen-bonded Turntrans47.745.8-170.8-64.60000112.7S236 K237 F274 N275 T276S236-S279 WeakPolarHBondContact CA-O 3.48Å; K237-S279 PolarHBondContact N-O 2.97Å; F274-S279 VanDerWaalsContact CE2-C 3.47Å; N275-S279 WeakPolarHBondContact O-CA 3.31Å; N275-S279 PolarHBondContact O-N 2.89Å; T276-S279 PolarHBondContact O-N 3.02Å
280R98.6Very high97.4Very high123 Ų12367.2 Ų67.246%0.46434%0.338SS..EExtended strand (participates in β ladder)trans-129.6127.1-171.6178.3179.2-97.6-92.16.2111.5K237 N275 K278K237-R280 CarbonylContact O-C 3.52Å; K237-R280 WeakPolarHBondContact O-CA 3.14Å; N275-R280 PolarHBondContact N-O 3.11Å; N275-R280 PolarHBondContact O-N 3.05Å; K278-R280 HydrophobicContact CB-CB 4.13Å; K278-R280 PolarHBondContact O-N 2.99Å
281W98.8Very high97.3Very high1 Ų165.2 Ų65.20%0.00432%0.324CS..EExtended strand (participates in β ladder)trans-81.5144.7166.7-69.4105.7000111.4H209 M221 K237 D239 P241 I258 R273 F274H209-W281 AromaticContact CD2-CH2 3.96Å; H209-W281 AromaticContact CD2-CZ2 3.38Å; H209-W281 WeakPolarHBondContact CD2-CZ2 3.37Å; H209-W281 AromaticContact CG-CZ2 3.86Å; H209-W281 AromaticContact NE2-CZ2 3.71Å; M221-W281 HydrophobicContact CE-CZ2 4.31Å; M221-W281 HydrophobicContact SD-CZ2 4.09Å; K237-W281 PolarHBondContact O-N 2.7Å; D239-W281 PolarHBondContact N-O 2.84Å; D239-W281 VanDerWaalsContact N-O 3.14Å; D239-W281 WeakPolarHBondContact O-CB 3.39Å; P241-W281 HydrophobicContact CG-CD2 3.95Å; P241-W281 HydrophobicContact CG-CE3 3.89Å; P241-W281 HydrophobicContact CG-CG 4.5Å; P241-W281 HydrophobicContact CG-CH2 4.39Å; P241-W281 HydrophobicContact CG-CZ2 4.46Å; P241-W281 HydrophobicContact CG-CZ3 4.1Å; I258-W281 HydrophobicContact CD1-CH2 3.85Å; I258-W281 HydrophobicContact CD1-CZ3 3.78Å; I258-W281 HydrophobicContact CG1-CH2 4.28Å; I258-W281 HydrophobicContact CG1-CZ3 3.89Å; I258-W281 HydrophobicContact CG2-CH2 4.12Å; I258-W281 HydrophobicContact CG2-CZ3 4.36Å; R273-W281 CarbonylContact O-C 3.57Å; R273-W281 VanDerWaalsContact O-CA 3.31Å; R273-W281 WeakPolarHBondContact O-CA 3.2Å; F274-W281 HydrophobicContact CB-CD2 3.72Å; F274-W281 HydrophobicContact CB-CE3 3.55Å; F274-W281 HydrophobicContact CB-CH2 3.58Å; F274-W281 HydrophobicContact CB-CZ2 3.73Å; F274-W281 HydrophobicContact CB-CZ3 3.49Å; F274-W281 VanDerWaalsContact CB-CZ3 3.49Å; F274-W281 AromaticContact CD2-CD1 3.77Å; F274-W281 AromaticContact CD2-CD2 3.72Å; F274-W281 HydrophobicContact CD2-CD2 3.72Å; F274-W281 AromaticContact CD2-CE2 3.49Å; F274-W281 VanDerWaalsContact CD2-CE2 3.49Å; F274-W281 HydrophobicContact CD2-CE3 4.42Å; F274-W281 AromaticContact CD2-CG 3.87Å; F274-W281 HydrophobicContact CD2-CG 3.87Å; F274-W281 HydrophobicContact CD2-CZ2 4.01Å; F274-W281 AromaticContact CD2-NE1 3.54Å; F274-W281 HydrophobicContact CG-CD2 4.17Å; F274-W281 AromaticContact CG-CE2 3.94Å; F274-W281 HydrophobicContact CG-CE3 4.47Å; F274-W281 HydrophobicContact CG-CH2 4.36Å; F274-W281 HydrophobicContact CG-CZ2 4.03Å
282T98.8Very high97.2Very high39 Ų3967.8 Ų67.824%0.23934%0.341CS..EExtended strand (participates in β ladder)trans-132.9127.1170.9-50.40000107.8D239 Y272 R273 M284D239-T282 WeakPolarHBondContact OD2-CA 3.37Å; Y272-T282 WeakPolarHBondContact CA-O 3.33Å; R273-T282 PolarHBondContact N-O 3.07Å; R273-T282 PolarHBondContact O-N 3.08Å; T282-M284 PolarHBondContact O-N 3.35Å
283L98.7Very high97.1Very high66 Ų6669.4 Ų69.435%0.34635%0.352SS..EExtended strand (participates in β ladder)trans-73.4120.6169.1172.959.8000107.9D239 Y272D239-L283 HydrophobicContact CB-CB 3.84Å; D239-L283 PolarHBondContact OD2-N 3.03Å; Y272-L283 HydrophobicContact CD1-CB 4.06Å; Y272-L283 HydrophobicContact CD1-CD1 4.13Å; Y272-L283 HydrophobicContact CD2-CD1 4.37Å; Y272-L283 HydrophobicContact CE1-CB 3.9Å; Y272-L283 HydrophobicContact CE1-CD1 3.79Å; Y272-L283 HydrophobicContact CE1-CG 4.33Å; Y272-L283 HydrophobicContact CE2-CD1 4.04Å; Y272-L283 HydrophobicContact CG-CD1 4.4Å
284M98.4Very high97.1Very high48 Ų4865.9 Ų65.924%0.23634%0.339CS..  trans-73.9139.4179.4-60-62.9-68.400109.4Y257 M271 R273 T282 F286Y257-M284 HydrophobicContact CE1-CE 4.28Å; Y257-M284 HydrophobicContact CE1-SD 4.39Å; M271-M284 HydrophobicContact CB-CB 4.24Å; M271-M284 HydrophobicContact CB-CG 4.43Å; M271-M284 HydrophobicContact CG-CG 4.33Å; M271-M284 WeakPolarHBondContact O-CB 3.41Å; M271-M284 PolarHBondContact O-N 3.22Å; R273-M284 HydrophobicContact CB-CG 4.31Å; R273-M284 HydrophobicContact CB-SD 3.78Å; T282-M284 PolarHBondContact O-N 3.35Å; M284-F286 HydrophobicContact CB-CE2 3.58Å; M284-F286 HydrophobicContact CB-CZ 3.81Å
285K97.3Very high97Very high185 Ų18566.7 Ų66.780%0.80434%0.343SS*.  trans-110.5137.4175.3-64-175179.6-177.20108.7
286F96.9Very high96.9Very high39 Ų3966.7 Ų66.717%0.17134%0.343CS..  trans-122.3149179.2-61.1-88.9000110.2G16 W18 M271 M284 L290 T347G16-F286 CarbonylContact O-C 3.57Å; G16-F286 WeakPolarHBondContact O-CA 3.38Å; G16-F286 WeakPolarHBondContact O-CB 3.1Å; W18-F286 AromaticContact CD1-CD1 3.47Å; W18-F286 VanDerWaalsContact CD1-CD1 3.47Å; W18-F286 AromaticContact CD1-CE1 3.75Å; W18-F286 AromaticContact CD1-CG 3.65Å; W18-F286 HydrophobicContact CG-CD1 4.41Å; W18-F286 AromaticContact NE1-CD1 3.69Å; W18-F286 AromaticContact NE1-CD2 3.81Å; W18-F286 AromaticContact NE1-CE1 3.5Å; W18-F286 AromaticContact NE1-CE2 3.6Å; W18-F286 AromaticContact NE1-CG 3.86Å; W18-F286 AromaticContact NE1-CZ 3.46Å; M271-F286 HydrophobicContact CB-CE2 3.86Å; M271-F286 HydrophobicContact CB-CZ 4.09Å; M271-F286 HydrophobicContact CG-CZ 4.47Å; M271-F286 HydrophobicContact SD-CE2 4.37Å; M271-F286 HydrophobicContact SD-CZ 3.65Å; M284-F286 HydrophobicContact CB-CE2 3.58Å; M284-F286 HydrophobicContact CB-CZ 3.81Å; F286-L290 HydrophobicContact CB-CD2 3.76Å; F286-L290 HydrophobicContact CD2-CD2 3.67Å; F286-L290 HydrophobicContact CG-CD2 3.94Å; F286-T347 HydrophobicContact CE1-CG2 4.12Å; F286-T347 WeakPolarHBondContact CE1-OG1 3.31Å; F286-T347 HydrophobicContact CZ-CG2 4.42Å
287E95.6Very high96.9Very high146 Ų14665.9 Ų65.968%0.68234%0.338SS*.SBendtrans-89.7141.9168.6-61.1-178.418000109G16 I17G16-E287 PolarHBondContact O-N 3.48Å; I17-E287 HydrophobicContact CG1-CB 4.5Å
288G91.8Very high96.9Very high70 Ų7058.4 Ų58.472%0.72230%0.303SS*.SBendtrans76.8-159.2-177.200000113.5
289D91.9Very high96.9Very high79 Ų7951.8 Ų51.842%0.42228%0.275SS..PPolyproline II helixtrans-74.4147.2-176.9-70.2-34.8000112.4E2 L4E2-D289 VanDerWaalsContact CB-OD2 3.32Å; E2-D289 WeakPolarHBondContact CB-OD2 3.45Å; L4-D289 HydrophobicContact CD2-CB 4.39Å; L4-D289 VanDerWaalsContact CD2-O 3.27Å; L4-D289 WeakPolarHBondContact CD2-O 3.4Å
290L95.4Very high96.9Very high75 Ų7550.5 Ų50.539%0.39327%0.265SS..PPolyproline II helixtrans-91.1151.2170.2-66.5177.1000110.1N269 F286N269-L290 WeakPolarHBondContact ND2-CB 3.36Å; F286-L290 HydrophobicContact CB-CD2 3.76Å; F286-L290 HydrophobicContact CD2-CD2 3.67Å; F286-L290 HydrophobicContact CG-CD2 3.94Å
291P96.4Very high96.9Very high0 Ų047 Ų470%026%0.256CS..PPolyproline II helixtrans-57.4152.5167.9-13.924.5000110.6L4 W18 F259 N269 I345L4-P291 HydrophobicContact CD1-CB 4.28Å; L4-P291 HydrophobicContact CD1-CG 4.1Å; W18-P291 HydrophobicContact CB-CG 4.1Å; W18-P291 HydrophobicContact CD2-CG 3.48Å; W18-P291 VanDerWaalsContact CD2-CG 3.48Å; W18-P291 HydrophobicContact CE3-CG 3.79Å; W18-P291 VanDerWaalsContact CG-CD 3.5Å; W18-P291 HydrophobicContact CG-CG 3.64Å; W18-P291 HydrophobicContact CZ2-CG 4.48Å; W18-P291 HydrophobicContact CZ3-CG 4.41Å; F259-P291 HydrophobicContact CE2-CG 4.44Å; F259-P291 HydrophobicContact CZ-CB 3.99Å; F259-P291 HydrophobicContact CZ-CG 3.89Å; N269-P291 WeakPolarHBondContact CB-O 3.33Å; N269-P291 PolarHBondContact ND2-O 2.85Å; P291-I345 HydrophobicContact CB-CD1 3.48Å; P291-I345 VanDerWaalsContact CB-CD1 3.48Å; P291-I345 HydrophobicContact CG-CD1 3.56Å
292P96.1Very high96.9Very high57 Ų5747 Ų4737%0.3726%0.255SS..PPolyproline II helixtrans-53.6150.6175-28.332.4000113.5R294 Y341P292-R294 PolarHBondContact O-N 2.94Å; P292-R294 PolarHBondContact O-NE 2.99Å; P292-Y341 HydrophobicContact CB-CE1 4.11Å; P292-Y341 HydrophobicContact CB-CE2 4.33Å; P292-Y341 WeakPolarHBondContact CB-OH 3.48Å; P292-Y341 HydrophobicContact CG-CE1 4.33Å
293N97.5Very high96.8Very high70 Ų7046.5 Ų46.537%0.37425%0.253SS..PPolyproline II helixtrans-52.5126.6170.5-71.8-16000110.1A267 N269A267-N293 HydrophobicContact CB-CB 3.93Å; A267-N293 WeakPolarHBondContact O-CB 3.1Å; A267-N293 PolarHBondContact O-ND2 3.38Å; A267-N293 VanDerWaalsContact O-ND2 3.13Å; N269-N293 WeakPolarHBondContact CB-OD1 3.5Å; N269-N293 PolarHBondContact N-OD1 2.78Å; N269-N293 VanDerWaalsContact N-OD1 3.11Å; N269-N293 PolarHBondContact ND2-OD1 2.77Å; N269-N293 PolarHBondContact OD1-OD1 2.79Å
294R97.4Very high96.7Very high0 Ų043.8 Ų43.80%024%0.238CC..  trans-151.1147.1-174.864.5-17974.6-159.83.2113.8F259 G261 V268 P292 G332 M334 Y341 D343F259-R294 HydrophobicContact CE1-CG 4.09Å; G261-R294 PolarHBondContact N-O 2.94Å; V268-R294 PolarHBondContact O-N 3.1Å; V268-R294 VanDerWaalsContact O-N 3.1Å; P292-R294 PolarHBondContact O-N 2.94Å; P292-R294 PolarHBondContact O-NE 2.99Å; R294-G332 PolarHBondContact NH1-O 2.8Å; R294-G332 VanDerWaalsContact NH1-O 3.08Å; R294-M334 CarbonylContact C-O 3.53Å; R294-M334 WeakPolarHBondContact CA-O 3.31Å; R294-Y341 HydrophobicContact CB-CD2 4.06Å; R294-Y341 HydrophobicContact CB-CE2 3.91Å; R294-D343 IonicContact CZ-OD1 3.62Å; R294-D343 IonicContact CZ-OD2 2.65Å; R294-D343 IonicContact NH1-OD1 2.73Å; R294-D343 PolarHBondContact NH1-OD1 3.01Å; R294-D343 IonicContact NH1-OD2 3.29Å; R294-D343 PolarHBondContact NH1-OD2 2.89Å; R294-D343 IonicContact NH2-OD1 2.83Å; R294-D343 IonicContact NH2-OD2 3.65Å; R294-D343 PolarHBondContact NH2-OD2 3.31Å
295L97.6Very high96.4Very high16 Ų1644.5 Ų44.58%0.08424%0.241CC..BIsolated β-bridgetrans-130.3166171.765.9151.6000109.8A246 L262 A267 H297 G333 M334A246-L295 HydrophobicContact CB-CB 4.02Å; A246-L295 HydrophobicContact CB-CD1 4.28Å; L262-L295 HydrophobicContact CB-CB 4.47Å; L262-L295 HydrophobicContact CB-CD1 4.1Å; L262-L295 HydrophobicContact CD2-CD1 4.4Å; A267-L295 HydrophobicContact CB-CD2 3.79Å; L295-H297 PolarHBondContact O-N 2.96Å; L295-G333 CarbonylContact O-C 3.41Å; L295-G333 WeakPolarHBondContact O-CA 3.23Å; L295-M334 HydrophobicContact CD2-CG 4.29Å; L295-M334 WeakPolarHBondContact CD2-O 3.47Å; L295-M334 HydrophobicContact CG-CG 4.27Å; L295-M334 PolarHBondContact N-O 2.79Å; L295-M334 PolarHBondContact O-N 2.73Å
296D96.9Very high96Very high19 Ų1936.3 Ų36.310%0.10221%0.206CC..SBendtrans54.823.2178.7-64.2-46000114.8V32 G33 H143 A246V32-D296 HydrophobicContact CB-CB 4.15Å; G33-D296 PolarHBondContact N-O 2.75Å; H143-D296 IonicContact CE1-OD1 3.07Å; H143-D296 IonicContact CG-OD1 3.95Å; H143-D296 IonicContact ND1-OD1 3.74Å; H143-D296 PolarHBondContact ND1-OD1 3.28Å; A246-D296 WeakPolarHBondContact CB-OD1 3.38Å; A246-D296 PolarHBondContact O-N 2.99Å; A246-D296 VanDerWaalsContact O-N 3.09Å
297H97.5Very high95.1Very high0 Ų039 Ų390%023%0.229CC..  trans-81.5164.5165.763.4-78.4000109.3S248 F259 L295 F331 G332S248-H297 PolarHBondContact OG-O 3.12Å; F259-H297 AromaticContact CD1-NE2 3.45Å; F259-H297 WeakPolarHBondContact CD1-NE2 3.35Å; F259-H297 PolarHBondContact O-CE1 2.88Å; F259-H297 PolarHBondContact O-NE2 3.49Å; L295-H297 PolarHBondContact O-N 2.96Å; H297-F331 WeakPolarHBondContact CB-O 3.42Å; H297-G332 VanDerWaalsContact CB-O 3.27Å; H297-G332 WeakPolarHBondContact CB-O 3.15Å
298S97.7Very high93.9Very high1 Ų137.8 Ų37.81%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-113.4154174.458.80000111H34 C36 A330 F331H34-S298 PolarHBondContact CD2-OG 3.43Å; H34-S298 PolarHBondContact NE2-OG 3.33Å; H34-S298 VanDerWaalsContact NE2-OG 3.11Å; H34-S298 WeakPolarHBondContact O-CB 3.48Å; C36-S298 WeakPolarHBondContact CB-OG 3.4Å; C36-S298 PolarHBondContact N-OG 3.12Å; C36-S298 VanDerWaalsContact N-OG 3.17Å; C36-S298 PolarHBondContact SG-OG 2.89Å; S298-A330 VanDerWaalsContact O-CA 3.26Å; S298-A330 WeakPolarHBondContact O-CA 3.38Å; S298-F331 PolarHBondContact N-O 3.32Å; S298-F331 PolarHBondContact O-N 3.42Å
299M98.2Very high92.4Very high15 Ų1543.3 Ų43.37%0.07423%0.225CC..EExtended strand (participates in β ladder)trans-133.6148.5173.5-60.8177.37300112.3C36 V250 F259 A328 F329 A330C36-M299 VanDerWaalsContact SG-CA 3.59Å; V250-M299 HydrophobicContact CG1-CB 3.65Å; V250-M299 HydrophobicContact CG1-CE 4.13Å; V250-M299 HydrophobicContact CG2-CE 4.31Å; F259-M299 HydrophobicContact CB-CE 4.07Å; F259-M299 HydrophobicContact CB-SD 3.71Å; F259-M299 HydrophobicContact CD1-SD 4.32Å; M299-A328 HydrophobicContact CE-CB 3.76Å; M299-F329 CarbonylContact C-O 3.58Å; M299-F329 WeakPolarHBondContact CA-O 3.2Å; M299-F329 WeakPolarHBondContact CB-O 3.43Å; M299-A330 HydrophobicContact CG-CB 3.72Å
300C98.3Very high90.7Very high12 Ų1251 Ų518%0.08125%0.248CC..EExtended strand (participates in β ladder)trans-140.4155.816869.50000111.6C36 F329C36-C300 WeakPolarHBondContact O-CB 3.21Å; C300-F329 PolarHBondContact N-O 3.08Å; C300-F329 PolarHBondContact O-N 2.83Å
301L98.1Very high88.7Confident49 Ų4953.5 Ų53.526%0.25726%0.262SS..EExtended strand (participates in β ladder)trans-72.9126.9169.3-170.274.9000108.9F38 Q252 N326 V349F38-L301 VanDerWaalsContact CB-O 3.31Å; F38-L301 WeakPolarHBondContact CB-O 3.12Å; Q252-L301 HydrophobicContact CB-CD1 3.99Å; Q252-L301 VanDerWaalsContact OE1-CD2 3.27Å; L301-N326 HydrophobicContact CD1-CB 4.01Å; L301-V349 HydrophobicContact CD1-CG2 3.75Å
302L98.1Very high86.6Confident0 Ų058.6 Ų58.60%030%0.304CS..EExtended strand (participates in β ladder)trans-116.1111.2-179.6170.762.2000109.9F38 I49 L69 W304 L327 F329 V346F38-L302 HydrophobicContact CD2-CD1 4.04Å; F38-L302 HydrophobicContact CE2-CD1 4.35Å; I49-L302 HydrophobicContact CD1-CD1 4.03Å; I49-L302 HydrophobicContact CD1-CD2 4.05Å; I49-L302 HydrophobicContact CG1-CD1 4.22Å; L69-L302 HydrophobicContact CD1-CD1 3.46Å; L69-L302 VanDerWaalsContact CD1-CD1 3.46Å; L69-L302 HydrophobicContact CD2-CD1 4.06Å; L69-L302 HydrophobicContact CG-CD1 4.42Å; L302-W304 HydrophobicContact CD2-CE3 4.12Å; L302-W304 HydrophobicContact CD2-CZ3 4.41Å; L302-W304 PolarHBondContact O-N 3.38Å; L302-L327 HydrophobicContact CB-CB 4.17Å; L302-L327 HydrophobicContact CD2-CB 4.45Å; L302-L327 HydrophobicContact CD2-CD1 4.21Å; L302-L327 HydrophobicContact CG-CB 4.49Å; L302-L327 PolarHBondContact N-O 2.88Å; L302-L327 PolarHBondContact O-N 2.8Å; L302-F329 HydrophobicContact CB-CB 4.01Å; L302-F329 HydrophobicContact CD2-CB 4.25Å; L302-F329 HydrophobicContact CD2-CD2 4.29Å; L302-V346 HydrophobicContact CD2-CG1 4.43Å
303P96.7Very high84.7Confident30 Ų3063 Ų6320%0.19532%0.324CS..EExtended strand (participates in β ladder)trans-71108.7169.6-16.631.8000110.5F38 T324F38-P303 HydrophobicContact CD1-CG 4.21Å; F38-P303 HydrophobicContact CE1-CG 3.79Å; F38-P303 HydrophobicContact CE2-CG 4.46Å; F38-P303 HydrophobicContact CZ-CG 3.93Å; P303-T324 HydrophobicContact CB-CG2 3.69Å
304W96.1Very high82.6Confident9 Ų963 Ų633%0.03434%0.341CS..EExtended strand (participates in β ladder)trans-91109.7177.7-166.8-103.2000110.6L7 D11 L21 H72 L302 T324 I325 L327L7-W304 HydrophobicContact CD2-CD2 4.49Å; L7-W304 HydrophobicContact CD2-CH2 4.17Å; L7-W304 HydrophobicContact CD2-CZ2 3.93Å; L7-W304 HydrophobicContact CG-CH2 4.42Å; L7-W304 HydrophobicContact CG-CZ2 4.02Å; D11-W304 PolarHBondContact O-NE1 3.42Å; D11-W304 VanDerWaalsContact O-NE1 3.14Å; L21-W304 HydrophobicContact CD1-CH2 3.83Å; L21-W304 HydrophobicContact CD1-CZ3 4.09Å; H72-W304 AromaticContact CE1-CH2 3.35Å; H72-W304 WeakPolarHBondContact CE1-CH2 3.3Å; H72-W304 AromaticContact CE1-CZ3 3.62Å; L302-W304 HydrophobicContact CD2-CE3 4.12Å; L302-W304 HydrophobicContact CD2-CZ3 4.41Å; L302-W304 PolarHBondContact O-N 3.38Å; W304-T324 WeakPolarHBondContact O-CA 3.39Å; W304-I325 WeakPolarHBondContact CA-O 3.31Å; W304-I325 HydrophobicContact CB-CB 4.43Å; W304-I325 WeakPolarHBondContact CB-O 3.11Å; W304-I325 PolarHBondContact N-O 3.08Å; W304-I325 PolarHBondContact O-N 2.75Å; W304-L327 HydrophobicContact CB-CD1 3.8Å; W304-L327 HydrophobicContact CB-CG 3.96Å; W304-L327 HydrophobicContact CD2-CD1 3.88Å; W304-L327 HydrophobicContact CE3-CD1 3.81Å; W304-L327 HydrophobicContact CG-CD1 3.92Å
305Q92.4Very high80.4Confident62 Ų6271.1 Ų71.129%0.2938%0.381SS..EExtended strand (participates in β ladder)trans-93.4125.8-176.4-65.4-176.6-15.300112K46 E323K46-Q305 HydrophobicContact CG-CB 4.36Å; Q305-E323 WeakPolarHBondContact CA-O 3.22Å
306L89.1Confident78.2Confident14 Ų1479.7 Ų79.77%0.07342%0.421CS..EExtended strand (participates in β ladder)trans-116.6136.5177-62.9173.2000110.2D11 R12 R308 F322 E323 I325D11-L306 WeakPolarHBondContact O-CD2 3.22Å; R12-L306 HydrophobicContact CB-CD1 3.92Å; R12-L306 HydrophobicContact CG-CD1 4.01Å; L306-R308 PolarHBondContact O-N 2.93Å; L306-F322 CarbonylContact O-C 3.57Å; L306-F322 WeakPolarHBondContact O-CA 3.33Å; L306-F322 WeakPolarHBondContact O-CB 3.24Å; L306-E323 PolarHBondContact N-O 2.78Å; L306-E323 PolarHBondContact O-N 2.95Å; L306-I325 HydrophobicContact CD1-CD1 3.66Å; L306-I325 HydrophobicContact CD1-CG1 4.39Å
307C79.4Confident76Confident95 Ų9583.1 Ų83.164%0.64244%0.443SS*.EExtended strand (participates in β ladder)trans-62.8132.1167.9-64.10000109.5E309 F322C307-E309 PolarHBondContact O-N 2.97Å; C307-F322 HydrophobicContact CB-CD1 4.39Å; C307-F322 HydrophobicContact CB-CE1 4.36Å; C307-F322 WeakPolarHBondContact SG-CE1 3.27Å
308R70.1Confident73.9Confident120 Ų12089.7 Ų89.745%0.45349%0.488SS..PPolyproline II helixtrans-69.6132.8170.3-75.5-178.7169.8-177.4-0.9109.8L306 R310 D321 E323L306-R308 PolarHBondContact O-N 2.93Å; R308-R310 PolarHBondContact O-N 3.45Å; R308-D321 WeakPolarHBondContact CB-O 3.33Å; R308-D321 PolarHBondContact N-O 2.99Å; R308-E323 HydrophobicContact CG-CB 4.47Å
309E59.5Low72Confident186 Ų18691.2 Ų91.287%0.86950%0.504SS*.PPolyproline II helixtrans-63127.2167.8-68-176.1172.400108.9C307 N311C307-E309 PolarHBondContact O-N 2.97Å; E309-N311 PolarHBondContact O-N 2.96Å
310R57.2Low70.1Confident242 Ų24295.3 Ų95.391%0.91353%0.532SS*.PPolyproline II helixtrans-71.9119.7172.5-76.1-173.8-78-146.7-3.9108.3R308R308-R310 PolarHBondContact O-N 3.45Å
311N51.7Low68.9Low127 Ų127100.6 Ų100.668%0.67956%0.559SS**PPolyproline II helixtrans-55.8142.6170.8-74.2-17000110.2E309 D313 G314E309-N311 PolarHBondContact O-N 2.96Å; N311-D313 PolarHBondContact O-N 3.48Å; N311-G314 PolarHBondContact O-N 3.01Å
312A53.6Low68Low107 Ų107103 Ų10388%0.88457%0.568SS**THydrogen-bonded Turntrans-57.1-13.6-178.100000114.7
313D55.5Low67.6Low148 Ų148105.9 Ų105.979%0.79158%0.582SS**THydrogen-bonded Turntrans-94.29.6-177.5-63.5-28.8000114.5N311 M315N311-D313 PolarHBondContact O-N 3.48Å; D313-M315 PolarHBondContact O-N 3.13Å
314G52.6Low67.5Low72 Ų72107.9 Ų107.974%0.74259%0.593SS**  trans63.88.1167.300000116.3N311 Q316N311-G314 PolarHBondContact O-N 3.01Å; G314-Q316 PolarHBondContact O-N 3.32Å
315M52.4Low67.5Low170 Ų170108.4 Ų108.484%0.83760%0.597SS**  trans-87.1109.9-176.4-148.5165.5168.800109.7D313 T317D313-M315 PolarHBondContact O-N 3.13Å; M315-T317 PolarHBondContact O-N 2.84Å
316Q51.2Low67.8Low195 Ų195107.1 Ų107.191%0.91159%0.592SS**  trans-62.1117.3176.7-84.4169.9-23.100110.4G314G314-Q316 PolarHBondContact O-N 3.32Å
317T50.5Low68.3Low92 Ų92106.5 Ų106.556%0.56459%0.588SS**  trans-77.1134.7167.459.50000109.4M315 G319M315-T317 PolarHBondContact O-N 2.84Å; T317-G319 PolarHBondContact O-N 3.27Å
318S54.1Low69.2Low137 Ų137102 Ų10296%0.95856%0.558SS**SBendtrans-75.556.9-175.461.30000114
319G56.8Low70.5Confident33 Ų3396.3 Ų96.334%0.3454%0.536SS..SBendtrans-145.6170.4176.200000111.6T317T317-G319 PolarHBondContact O-N 3.27Å
320P58.4Low72.4Confident101 Ų10187.4 Ų87.466%0.65650%0.495SS*.  trans-56.8145.117623.3-31.5000110.7F322P320-F322 PolarHBondContact O-N 2.89Å
321D73.5Confident74.3Confident123 Ų12376 Ų7666%0.65845%0.452SS*.SBendtrans-66.72.5-176.3-78.5-26.1000114.1R308R308-D321 WeakPolarHBondContact CB-O 3.33Å; R308-D321 PolarHBondContact N-O 2.99Å
322F79.1Confident76.4Confident101 Ų10169.9 Ų69.944%0.44342%0.419SS..EExtended strand (participates in β ladder)trans-128.5146.1-172.6-54.9-88.8000111.9L306 C307 P320L306-F322 CarbonylContact O-C 3.57Å; L306-F322 WeakPolarHBondContact O-CA 3.33Å; L306-F322 WeakPolarHBondContact O-CB 3.24Å; C307-F322 HydrophobicContact CB-CD1 4.39Å; C307-F322 HydrophobicContact CB-CE1 4.36Å; C307-F322 WeakPolarHBondContact SG-CE1 3.27Å; P320-F322 PolarHBondContact O-N 2.89Å
323E89.9Confident78.4Confident60 Ų6064.8 Ų64.828%0.2838%0.377SS..EExtended strand (participates in β ladder)trans-101.6142.6168.5-178.1178.7161.900109.8R12 Q305 L306 R308R12-E323 IonicContact CZ-OE1 3.56Å; R12-E323 IonicContact CZ-OE2 3.95Å; R12-E323 VanDerWaalsContact NH1-CD 3.31Å; R12-E323 IonicContact NH1-OE1 2.73Å; R12-E323 PolarHBondContact NH1-OE1 3.44Å; R12-E323 IonicContact NH1-OE2 3.33Å; R12-E323 PolarHBondContact NH1-OE2 2.83Å; R12-E323 IonicContact NH2-OE1 3.59Å; R12-E323 IonicContact NH2-OE2 3.63Å; R12-E323 PolarHBondContact NH2-OE2 3.41Å; Q305-E323 WeakPolarHBondContact CA-O 3.22Å; L306-E323 PolarHBondContact N-O 2.78Å; L306-E323 PolarHBondContact O-N 2.95Å; R308-E323 HydrophobicContact CG-CB 4.47Å
324T94.1Very high80.4Confident71 Ų7160 Ų6044%0.43635%0.351SS..EExtended strand (participates in β ladder)trans-112124.9175.1-55.30000110.3P303 W304P303-T324 HydrophobicContact CB-CG2 3.69Å; W304-T324 WeakPolarHBondContact O-CA 3.39Å
325I96.9Very high82.4Confident21 Ų2157.5 Ų57.511%0.10832%0.32CS..EExtended strand (participates in β ladder)trans-109.3130.3169.7-59177.8000107.6R12 P13 W304 L306 L327 V348R12-I325 HydrophobicContact CG-CD1 3.84Å; P13-I325 HydrophobicContact CG-CD1 4.31Å; P13-I325 HydrophobicContact CG-CG2 4.17Å; W304-I325 WeakPolarHBondContact CA-O 3.31Å; W304-I325 HydrophobicContact CB-CB 4.43Å; W304-I325 WeakPolarHBondContact CB-O 3.11Å; W304-I325 PolarHBondContact N-O 3.08Å; W304-I325 PolarHBondContact O-N 2.75Å; L306-I325 HydrophobicContact CD1-CD1 3.66Å; L306-I325 HydrophobicContact CD1-CG1 4.39Å; I325-L327 HydrophobicContact CG2-CD2 4.25Å; I325-V348 HydrophobicContact CG2-CG1 3.84Å; I325-V348 HydrophobicContact CG2-CG2 4.15Å
326N98.2Very high84.5Confident35 Ų3553.2 Ų53.219%0.18730%0.304CS..EExtended strand (participates in β ladder)trans-88.1129.3179.8-64.2-60.5000110.5Q252 L301 V349Q252-N326 HydrophobicContact CG-CB 4.34Å; Q252-N326 PolarHBondContact NE2-ND2 2.85Å; Q252-N326 PolarHBondContact OE1-ND2 2.89Å; L301-N326 HydrophobicContact CD1-CB 4.01Å; N326-V349 HydrophobicContact CB-CG2 4.22Å; N326-V349 PolarHBondContact O-N 2.6Å
327L98.8Very high86.5Confident1 Ų151.5 Ų51.51%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-112140.2177.6-55.9-178.5000110L7 P13 L302 W304 I325 F329 V346 T347 V348L7-L327 HydrophobicContact CD2-CD1 3.93Å; P13-L327 HydrophobicContact CB-CD2 4.22Å; P13-L327 HydrophobicContact CG-CD2 3.81Å; L302-L327 HydrophobicContact CB-CB 4.17Å; L302-L327 HydrophobicContact CD2-CB 4.45Å; L302-L327 HydrophobicContact CD2-CD1 4.21Å; L302-L327 HydrophobicContact CG-CB 4.49Å; L302-L327 PolarHBondContact N-O 2.88Å; L302-L327 PolarHBondContact O-N 2.8Å; W304-L327 HydrophobicContact CB-CD1 3.8Å; W304-L327 HydrophobicContact CB-CG 3.96Å; W304-L327 HydrophobicContact CD2-CD1 3.88Å; W304-L327 HydrophobicContact CE3-CD1 3.81Å; W304-L327 HydrophobicContact CG-CD1 3.92Å; I325-L327 HydrophobicContact CG2-CD2 4.25Å; L327-F329 PolarHBondContact O-N 2.9Å; L327-V346 HydrophobicContact CB-CB 4.37Å; L327-V346 HydrophobicContact CD1-CB 4.18Å; L327-V346 HydrophobicContact CD1-CG1 4.47Å; L327-V346 HydrophobicContact CD1-CG2 4.18Å; L327-T347 CarbonylContact C-O 3.56Å; L327-T347 VanDerWaalsContact CA-O 3.29Å; L327-T347 WeakPolarHBondContact CA-O 3.41Å; L327-V348 HydrophobicContact CD2-CB 4.28Å; L327-V348 HydrophobicContact CD2-CG2 3.7Å
328A98.7Very high88.4Confident0 Ų049.3 Ų49.30%029%0.291CS..EExtended strand (participates in β ladder)trans-79.1106.6158.100000107.4V250 M271 M299 V346 T347 V349V250-A328 HydrophobicContact CG2-CB 3.66Å; M271-A328 HydrophobicContact CE-CB 3.91Å; M299-A328 HydrophobicContact CE-CB 3.76Å; A328-V346 VanDerWaalsContact O-CA 3.28Å; A328-V346 WeakPolarHBondContact O-CA 3.44Å; A328-T347 HydrophobicContact CB-CG2 4.2Å; A328-T347 PolarHBondContact N-O 3.13Å; A328-T347 PolarHBondContact O-N 2.86Å; A328-T347 VanDerWaalsContact O-N 3.15Å; A328-V349 HydrophobicContact CB-CG1 3.67Å; A328-V349 HydrophobicContact CB-CG2 4.45Å
329F98.7Very high90.3Very high0 Ų046.4 Ų46.40%027%0.267CS..EExtended strand (participates in β ladder)trans-90133.7172173.2-88.1000109.3L21 C36 I49 I67 M299 C300 L302 L327 F331 C344 V346L21-F329 HydrophobicContact CD2-CD2 4.39Å; L21-F329 HydrophobicContact CD2-CE2 4.11Å; C36-F329 HydrophobicContact CB-CE1 4.14Å; I49-F329 HydrophobicContact CD1-CB 4.46Å; I49-F329 HydrophobicContact CD1-CD1 3.96Å; I49-F329 HydrophobicContact CD1-CD2 3.55Å; I49-F329 HydrophobicContact CD1-CE1 4.01Å; I49-F329 HydrophobicContact CD1-CE2 3.6Å; I49-F329 HydrophobicContact CD1-CG 3.74Å; I49-F329 HydrophobicContact CD1-CZ 3.84Å; I49-F329 HydrophobicContact CG2-CD1 4.15Å; I49-F329 HydrophobicContact CG2-CE1 3.77Å; I49-F329 HydrophobicContact CG2-CZ 4.24Å; I67-F329 HydrophobicContact CD1-CE2 4.13Å; I67-F329 HydrophobicContact CD1-CZ 3.85Å; M299-F329 CarbonylContact C-O 3.58Å; M299-F329 WeakPolarHBondContact CA-O 3.2Å; M299-F329 WeakPolarHBondContact CB-O 3.43Å; C300-F329 PolarHBondContact N-O 3.08Å; C300-F329 PolarHBondContact O-N 2.83Å; L302-F329 HydrophobicContact CB-CB 4.01Å; L302-F329 HydrophobicContact CD2-CB 4.25Å; L302-F329 HydrophobicContact CD2-CD2 4.29Å; L327-F329 PolarHBondContact O-N 2.9Å; F329-F331 HydrophobicContact CE1-CB 3.67Å; F329-F331 HydrophobicContact CZ-CB 4.01Å; F329-C344 HydrophobicContact CE2-CB 3.69Å; F329-C344 HydrophobicContact CZ-CB 4.04Å; F329-V346 HydrophobicContact CB-CG1 4.16Å; F329-V346 HydrophobicContact CD2-CG1 3.7Å; F329-V346 HydrophobicContact CG-CG1 4.37Å
330A98.2Very high92.2Very high0 Ų046.3 Ų46.30%026%0.259CS..EExtended strand (participates in β ladder)trans-127.3141.8171.500000110.9S298 M299 I345S298-A330 VanDerWaalsContact O-CA 3.26Å; S298-A330 WeakPolarHBondContact O-CA 3.38Å; M299-A330 HydrophobicContact CG-CB 3.72Å; A330-I345 HydrophobicContact CB-CD1 4.11Å; A330-I345 HydrophobicContact CB-CG1 3.74Å; A330-I345 PolarHBondContact N-O 2.84Å; A330-I345 PolarHBondContact O-N 3.02Å
331F97.7Very high93.9Very high1 Ų143.4 Ų43.40%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-129.8134.3178.8-179.1-111.1000111.4P28 H34 I51 W74 H297 S298 F329 N342 D343 C344P28-F331 HydrophobicContact CB-CZ 4.23Å; P28-F331 HydrophobicContact CG-CZ 4.03Å; H34-F331 AromaticContact CD2-CD1 3.68Å; H34-F331 AromaticContact CE1-CD1 3.69Å; H34-F331 AromaticContact CE1-CE1 3.94Å; H34-F331 AromaticContact NE2-CD1 3.2Å; H34-F331 WeakPolarHBondContact NE2-CD1 3.47Å; H34-F331 AromaticContact NE2-CE1 3.88Å; H34-F331 PolarHBondContact NE2-O 2.83Å; I51-F331 HydrophobicContact CG1-CD1 3.79Å; I51-F331 HydrophobicContact CG1-CE1 4.02Å; I51-F331 HydrophobicContact CG1-CG 4.35Å; I51-F331 HydrophobicContact CG2-CD1 3.91Å; I51-F331 HydrophobicContact CG2-CE1 3.74Å; W74-F331 HydrophobicContact CH2-CD2 4.23Å; W74-F331 AromaticContact CH2-CE2 3.68Å; W74-F331 HydrophobicContact CH2-CE2 3.68Å; W74-F331 AromaticContact CH2-CZ 3.94Å; W74-F331 HydrophobicContact CH2-CZ 3.94Å; W74-F331 AromaticContact CZ2-CE2 3.86Å; W74-F331 HydrophobicContact CZ2-CE2 3.86Å; W74-F331 HydrophobicContact CZ2-CZ 4.43Å; H297-F331 WeakPolarHBondContact CB-O 3.42Å; S298-F331 PolarHBondContact N-O 3.32Å; S298-F331 PolarHBondContact O-N 3.42Å; F329-F331 HydrophobicContact CE1-CB 3.67Å; F329-F331 HydrophobicContact CZ-CB 4.01Å; F331-N342 HydrophobicContact CE2-CB 4.43Å; F331-N342 VanDerWaalsContact CE2-O 3.31Å; F331-N342 WeakPolarHBondContact CE2-O 3.49Å; F331-N342 HydrophobicContact CZ-CB 4.31Å; F331-D343 VanDerWaalsContact CD2-O 3.31Å; F331-D343 WeakPolarHBondContact CD2-O 3.32Å; F331-C344 VanDerWaalsContact CD2-SG 3.56Å
332G95.9Very high94.9Very high0 Ų040.6 Ų40.60%022%0.22CC..  trans60.8-137.8170.500000115.9R294 H297 Y341 D343R294-G332 PolarHBondContact NH1-O 2.8Å; R294-G332 VanDerWaalsContact NH1-O 3.08Å; H297-G332 VanDerWaalsContact CB-O 3.27Å; H297-G332 WeakPolarHBondContact CB-O 3.15Å; G332-Y341 WeakPolarHBondContact CA-O 3.35Å; G332-D343 PolarHBondContact N-O 3.3Å
333G95.9Very high95.7Very high0 Ų037.9 Ų37.90%021%0.21CC..  trans91.2-168.1-171.100000112.7L295 Y341L295-G333 CarbonylContact O-C 3.41Å; L295-G333 WeakPolarHBondContact O-CA 3.23Å; G333-Y341 PolarHBondContact O-N 3.26Å
334M96.6Very high96Very high47 Ų4735.3 Ų35.323%0.23220%0.199CC..BIsolated β-bridgetrans-147.4165.7178.663.8-178-71.900112.7V32 R294 L295 V339 I340V32-M334 HydrophobicContact CG1-CB 3.77Å; V32-M334 HydrophobicContact CG1-CG 3.82Å; V32-M334 HydrophobicContact CG1-SD 3.89Å; V32-M334 HydrophobicContact CG2-SD 4.4Å; R294-M334 CarbonylContact C-O 3.53Å; R294-M334 WeakPolarHBondContact CA-O 3.31Å; L295-M334 HydrophobicContact CD2-CG 4.29Å; L295-M334 WeakPolarHBondContact CD2-O 3.47Å; L295-M334 HydrophobicContact CG-CG 4.27Å; L295-M334 PolarHBondContact N-O 2.79Å; L295-M334 PolarHBondContact O-N 2.73Å; M334-V339 CarbonylContact C-O 3.58Å; M334-V339 WeakPolarHBondContact CA-O 3.35Å; M334-V339 VanDerWaalsContact CB-O 3.3Å; M334-V339 WeakPolarHBondContact CB-O 3.34Å; M334-I340 HydrophobicContact CB-CG1 4.24Å
335D95.4Very high96.2Very high20 Ų2031.9 Ų31.911%0.10718%0.178CC..  trans-94179.1165.577.9-2.5000112.6H337 G338 V339 Y341D335-H337 PolarHBondContact O-N 3.48Å; D335-H337 WeakPolarHBondContact OD1-CA 3.4Å; D335-H337 WeakPolarHBondContact OD1-CB 3.14Å; D335-H337 PolarHBondContact OD1-N 2.82Å; D335-H337 IonicContact OD2-CG 3.53Å; D335-H337 IonicContact OD2-ND1 2.84Å; D335-H337 PolarHBondContact OD2-ND1 3.07Å; D335-G338 PolarHBondContact O-N 2.85Å; D335-G338 PolarHBondContact OD1-N 2.86Å; D335-V339 PolarHBondContact N-O 2.86Å; D335-V339 WeakPolarHBondContact OD1-CB 3.48Å; D335-V339 PolarHBondContact OD1-N 3.02Å; D335-Y341 HydrophobicContact CB-CE2 4.36Å
336T95.1Very high96.3Very high79 Ų7930.9 Ų30.949%0.48517%0.173SC..THydrogen-bonded Turntrans-75-4.9176.648.10000114.3L262 A267L262-T336 HydrophobicContact CD1-CG2 3.89Å; A267-T336 HydrophobicContact CB-CG2 3.94Å
337H93.8Very high96.3Very high159 Ų15929.3 Ų29.374%0.73616%0.164SC*.THydrogen-bonded Turntrans-98.5-0.4177.2-51.3102.1000112.5D335D335-H337 PolarHBondContact O-N 3.48Å; D335-H337 WeakPolarHBondContact OD1-CA 3.4Å; D335-H337 WeakPolarHBondContact OD1-CB 3.14Å; D335-H337 PolarHBondContact OD1-N 2.82Å; D335-H337 IonicContact OD2-CG 3.53Å; D335-H337 IonicContact OD2-ND1 2.84Å; D335-H337 PolarHBondContact OD2-ND1 3.07Å
338G91.4Very high96.3Very high47 Ų4729.9 Ų29.949%0.48517%0.168SC..SBendtrans908.8179.500000114.3D335 I340D335-G338 PolarHBondContact O-N 2.85Å; D335-G338 PolarHBondContact OD1-N 2.86Å; G338-I340 PolarHBondContact O-N 3.34Å
339V94.1Very high96.3Very high75 Ų7530.1 Ų30.146%0.45517%0.169SC..  trans-74.4114.4172.5-178.10000108.1M334 D335 Y341M334-V339 CarbonylContact C-O 3.58Å; M334-V339 WeakPolarHBondContact CA-O 3.35Å; M334-V339 VanDerWaalsContact CB-O 3.3Å; M334-V339 WeakPolarHBondContact CB-O 3.34Å; D335-V339 PolarHBondContact N-O 2.86Å; D335-V339 WeakPolarHBondContact OD1-CB 3.48Å; D335-V339 PolarHBondContact OD1-N 3.02Å; V339-Y341 HydrophobicContact CG1-CD1 4.24Å; V339-Y341 HydrophobicContact CG1-CE1 3.73Å
340I95.3Very high96Very high32 Ų3236.2 Ų36.216%0.16420%0.196CC..BIsolated β-bridgetrans-92.5133.4175.3-56.4174.4000108.7L30 V32 N56 M334 G338L30-I340 HydrophobicContact CB-CB 4.07Å; L30-I340 HydrophobicContact CB-CG2 3.77Å; L30-I340 HydrophobicContact CD2-CG2 4.41Å; V32-I340 HydrophobicContact CG1-CG1 4.25Å; V32-I340 HydrophobicContact CG1-CG2 3.95Å; N56-I340 HydrophobicContact CB-CD1 4.19Å; M334-I340 HydrophobicContact CB-CG1 4.24Å; G338-I340 PolarHBondContact O-N 3.34Å
341Y94.8Very high95.8Very high40 Ų4038.1 Ų38.116%0.15721%0.206CC..  trans-98.6150.2177.3-50.4-65.8000110.9P292 R294 G332 G333 D335 V339 D343P292-Y341 HydrophobicContact CB-CE1 4.11Å; P292-Y341 HydrophobicContact CB-CE2 4.33Å; P292-Y341 WeakPolarHBondContact CB-OH 3.48Å; P292-Y341 HydrophobicContact CG-CE1 4.33Å; R294-Y341 HydrophobicContact CB-CD2 4.06Å; R294-Y341 HydrophobicContact CB-CE2 3.91Å; G332-Y341 WeakPolarHBondContact CA-O 3.35Å; G333-Y341 PolarHBondContact O-N 3.26Å; D335-Y341 HydrophobicContact CB-CE2 4.36Å; V339-Y341 HydrophobicContact CG1-CD1 4.24Å; V339-Y341 HydrophobicContact CG1-CE1 3.73Å; Y341-D343 WeakPolarHBondContact CB-OD1 3.43Å
342N94.1Very high95.7Very high63 Ų6340 Ų4034%0.33722%0.216SC..  trans-135.525.5167.766.1-16.5000111.2T27 P28 L30 F331T27-N342 HydrophobicContact CG2-CB 4.33Å; P28-N342 PolarHBondContact O-ND2 2.99Å; L30-N342 HydrophobicContact CD2-CB 3.85Å; F331-N342 HydrophobicContact CE2-CB 4.43Å; F331-N342 VanDerWaalsContact CE2-O 3.31Å; F331-N342 WeakPolarHBondContact CE2-O 3.49Å; F331-N342 HydrophobicContact CZ-CB 4.31Å
343D95.4Very high95.7Very high45 Ų4542.2 Ų42.224%0.24123%0.228CC..  trans-76.7151.7174.560.8-21.3000110.9R294 F331 G332 Y341R294-D343 IonicContact CZ-OD1 3.62Å; R294-D343 IonicContact CZ-OD2 2.65Å; R294-D343 IonicContact NH1-OD1 2.73Å; R294-D343 PolarHBondContact NH1-OD1 3.01Å; R294-D343 IonicContact NH1-OD2 3.29Å; R294-D343 PolarHBondContact NH1-OD2 2.89Å; R294-D343 IonicContact NH2-OD1 2.83Å; R294-D343 IonicContact NH2-OD2 3.65Å; R294-D343 PolarHBondContact NH2-OD2 3.31Å; F331-D343 VanDerWaalsContact CD2-O 3.31Å; F331-D343 WeakPolarHBondContact CD2-O 3.32Å; G332-D343 PolarHBondContact N-O 3.3Å; Y341-D343 WeakPolarHBondContact CB-OD1 3.43Å
344C97.3Very high95.7Very high5 Ų544.7 Ų44.73%0.03424%0.242CC..EExtended strand (participates in β ladder)trans-105.9119.1169-62.90000107.7L21 F329 F331L21-C344 HydrophobicContact CB-CB 3.97Å; L21-C344 PolarHBondContact N-O 3.46Å; L21-C344 WeakPolarHBondContact O-CB 3.48Å; F329-C344 HydrophobicContact CE2-CB 3.69Å; F329-C344 HydrophobicContact CZ-CB 4.04Å; F331-C344 VanDerWaalsContact CD2-SG 3.56Å
345I98.1Very high95.7Very high0 Ų044.6 Ų44.60%024%0.242CC..EExtended strand (participates in β ladder)trans-122.6145.7179.560.1173.6000110.2L4 W18 Y19 F259 P291 A330L4-I345 HydrophobicContact CD1-CB 4.32Å; L4-I345 HydrophobicContact CD1-CG2 3.61Å; W18-I345 HydrophobicContact CE3-CB 4.05Å; W18-I345 HydrophobicContact CE3-CD1 4.13Å; W18-I345 HydrophobicContact CE3-CG1 4.18Å; W18-I345 HydrophobicContact CH2-CD1 4.38Å; W18-I345 HydrophobicContact CZ3-CB 4.14Å; W18-I345 HydrophobicContact CZ3-CD1 3.82Å; W18-I345 HydrophobicContact CZ3-CG1 3.81Å; Y19-I345 CarbonylContact O-C 3.52Å; Y19-I345 VanDerWaalsContact O-CA 3.28Å; Y19-I345 WeakPolarHBondContact O-CA 3.41Å; F259-I345 HydrophobicContact CE1-CD1 3.92Å; F259-I345 HydrophobicContact CZ-CD1 4.2Å; P291-I345 HydrophobicContact CB-CD1 3.48Å; P291-I345 VanDerWaalsContact CB-CD1 3.48Å; P291-I345 HydrophobicContact CG-CD1 3.56Å; A330-I345 HydrophobicContact CB-CD1 4.11Å; A330-I345 HydrophobicContact CB-CG1 3.74Å; A330-I345 PolarHBondContact N-O 2.84Å; A330-I345 PolarHBondContact O-N 3.02Å
346V98.6Very high95.7Very high0 Ų046.2 Ų46.20%025%0.251CS..EExtended strand (participates in β ladder)trans-138149.8-178-59.60000112.2L7 Y19 L21 L302 L327 A328 F329L7-V346 HydrophobicContact CD2-CG2 3.76Å; Y19-V346 PolarHBondContact N-O 2.98Å; Y19-V346 PolarHBondContact O-N 2.97Å; L21-V346 HydrophobicContact CB-CG1 4.45Å; L302-V346 HydrophobicContact CD2-CG1 4.43Å; L327-V346 HydrophobicContact CB-CB 4.37Å; L327-V346 HydrophobicContact CD1-CB 4.18Å; L327-V346 HydrophobicContact CD1-CG1 4.47Å; L327-V346 HydrophobicContact CD1-CG2 4.18Å; A328-V346 VanDerWaalsContact O-CA 3.28Å; A328-V346 WeakPolarHBondContact O-CA 3.44Å; F329-V346 HydrophobicContact CB-CG1 4.16Å; F329-V346 HydrophobicContact CD2-CG1 3.7Å; F329-V346 HydrophobicContact CG-CG1 4.37Å
347T98.7Very high95.7Very high1 Ų143.9 Ų43.91%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-146.1154.5166.2-167.90000111.2I17 W18 M271 F286 L327 A328I17-T347 WeakPolarHBondContact O-CB 3.38Å; I17-T347 PolarHBondContact O-OG1 3.24Å; W18-T347 HydrophobicContact CD2-CG2 4.09Å; W18-T347 HydrophobicContact CE3-CG2 4.14Å; W18-T347 HydrophobicContact CH2-CG2 3.74Å; W18-T347 HydrophobicContact CZ2-CG2 3.66Å; W18-T347 HydrophobicContact CZ3-CG2 3.96Å; M271-T347 HydrophobicContact CE-CG2 3.99Å; M271-T347 HydrophobicContact SD-CG2 3.79Å; F286-T347 HydrophobicContact CE1-CG2 4.12Å; F286-T347 WeakPolarHBondContact CE1-OG1 3.31Å; F286-T347 HydrophobicContact CZ-CG2 4.42Å; L327-T347 CarbonylContact C-O 3.56Å; L327-T347 VanDerWaalsContact CA-O 3.29Å; L327-T347 WeakPolarHBondContact CA-O 3.41Å; A328-T347 HydrophobicContact CB-CG2 4.2Å; A328-T347 PolarHBondContact N-O 3.13Å; A328-T347 PolarHBondContact O-N 2.86Å; A328-T347 VanDerWaalsContact O-N 3.15Å
348V98.6Very high95.9Very high14 Ų1435 Ų359%0.08520%0.196CC..EExtended strand (participates in β ladder)trans-71.5133.9-178.5-179.20000111P13 K14 E15 I325 L327P13-V348 HydrophobicContact CB-CG2 3.73Å; P13-V348 HydrophobicContact CG-CG2 3.99Å; K14-V348 WeakPolarHBondContact O-CG2 3.49Å; E15-V348 HydrophobicContact CG-CB 4.04Å; E15-V348 HydrophobicContact CG-CG1 3.74Å; I325-V348 HydrophobicContact CG2-CG1 3.84Å; I325-V348 HydrophobicContact CG2-CG2 4.15Å; L327-V348 HydrophobicContact CD2-CB 4.28Å; L327-V348 HydrophobicContact CD2-CG2 3.7Å
349V98.4Very high96.3Very high5 Ų534 Ų343%0.0317%0.172CC..  trans-127.5153.8173.9-66.70000111.6Q252 Y257 M271 L301 N326 A328Q252-V349 HydrophobicContact CB-CG2 4.12Å; Q252-V349 HydrophobicContact CG-CG2 4.41Å; Y257-V349 HydrophobicContact CD1-CG1 3.86Å; Y257-V349 HydrophobicContact CD2-CB 4.03Å; Y257-V349 HydrophobicContact CD2-CG1 3.95Å; Y257-V349 HydrophobicContact CE1-CB 4.23Å; Y257-V349 HydrophobicContact CE1-CG1 3.93Å; Y257-V349 HydrophobicContact CE2-CB 3.72Å; Y257-V349 HydrophobicContact CE2-CG1 4.05Å; Y257-V349 HydrophobicContact CG-CB 4.43Å; Y257-V349 HydrophobicContact CG-CG1 3.86Å; M271-V349 HydrophobicContact CE-CG1 3.87Å; L301-V349 HydrophobicContact CD1-CG2 3.75Å; N326-V349 HydrophobicContact CB-CG2 4.22Å; N326-V349 PolarHBondContact O-N 2.6Å; A328-V349 HydrophobicContact CB-CG1 3.67Å; A328-V349 HydrophobicContact CB-CG2 4.45Å
350K92.1Very high96.5Very high128 Ų12830.3 Ų30.356%0.55715%0.146SC*.  trans-137.30-174.9-70.4-175.8174.6174.40114.1E15 Q252 N255 Y257E15-K350 WeakPolarHBondContact OE1-CE 3.3Å; E15-K350 IonicContact OE1-NZ 2.99Å; E15-K350 PolarHBondContact OE1-NZ 3.36Å; E15-K350 VanDerWaalsContact OE2-CE 3.28Å; E15-K350 WeakPolarHBondContact OE2-CE 3.32Å; E15-K350 IonicContact OE2-NZ 2.78Å; E15-K350 PolarHBondContact OE2-NZ 2.9Å; Q252-K350 VanDerWaalsContact CG-C 3.43Å; Q252-K350 WeakPolarHBondContact CG-OXT 3.32Å; N255-K350 PolarHBondContact ND2-O 3.07Å; Y257-K350 PolarHBondContact OH-N 2.98Å; Y257-K350 VanDerWaalsContact OH-N 3.13Å; Y257-K350 PolarHBondContact OH-O 3.37Å

Retrieved 350 of 350 residues in 79 ms (Link to these results)

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